/projects/compbio/experiments/protein-predict/casp7/starter-directory/Make.main:725: SECONDARY_TARGET = T0303.t06.str2 mkdir -p decoys rm decoys/read-pdb+servers.under cd decoys; shopt -s nullglob ; for x in ../*.ts-submitted* ; do echo ReadConformPDB $x >> read-pdb+servers.under ; done cd decoys; shopt -s nullglob ; for x in *.pdb* ; do echo ReadConformPDB $x >> read-pdb+servers.under ; done cd decoys; shopt -s nullglob ; for x in ../*mer/decoys/*.pdb* ; \ do echo ReadConformPDB $x chain A >> read-pdb+servers.under ; \ y=${x#../} ;\ z=${y/decoys} ;\ a=${z/T0303.} ;\ b=${a%.gz} ;\ c=${b%.pdb} ;\ echo NameConform $c >> read-pdb+servers.under ; \ done cd decoys; shopt -s nullglob ; for x in servers/*.pdb.gz ; do \ echo ReadConformPDB $x >> read-pdb+servers.under ; \ y=${x%.pdb.gz} ; \ z=${y#servers/} ; \ echo NameConform $z >> read-pdb+servers.under ; \ echo SCWRLConform >> read-pdb+servers.under ; \ echo NameConform $z-scwrl >> read-pdb+servers.under ; \ done chgrp protein decoys/read-pdb+servers.under chmod g+w decoys/read-pdb+servers.under rm -f decoys/evaluate.rdb sed -e s/XXX0000/T0303/ -e s/START_COL/1/ \ -e s/REAL_PDB/2hszA/ \ -e s/_domain// \ -e s/read-pdb/read-pdb+servers/ \ -e 's/include COSTFCN.costfcn//' \ -e s/.COSTFCN// \ < /projects/compbio/experiments/protein-predict/casp7/starter-directory/evaluate.under \ | nice -2 /projects/compbio/programs/undertaker/undertaker # command:# Seed set to 1174718526 # command:# Prefix for input files set to /projects/compbio/experiments/undertaker/atoms-inputs/ # command:# reading monomeric-50pc.atoms # trans (non-proline) backbone unit: # CA= -2.2088 1.0126 -0.0031 # O= -0.1499 2.2440 0.0017 # C= -0.6889 1.1368 0.0000 # N+1= 0.0000 0.0000 0.0000 # CA+1= 1.4581 0.0000 0.0000 # cis backbone unit: # CA= -0.1462 2.4515 0.0018 # O= -2.0272 0.9713 0.0022 # C= -0.8006 1.0755 0.0000 # N+1= 0.0000 0.0000 0.0000 # CA+1= 1.4659 0.0000 0.0000 # trans backbone unit before proline: # CA= -2.2099 1.0634 -0.0014 # O= -0.1233 2.2459 0.0075 # C= -0.6871 1.1518 0.0000 # N+1= 0.0000 0.0000 0.0000 # CA+1= 1.4660 0.0000 0.0000 # After reading monomeric-50pc.atoms have 448 chains in training database # Count of chains,residues,atoms: 448,112605,876684 # 109826 residues have no bad marker # 665 residues lack atoms needed to compute omega # 322 residues have cis peptide # number of each bad type: # NON_STANDARD_RESIDUE 6 # HAS_OXT 325 # TOO_MANY_ATOMS 1 # TOO_FEW_ATOMS 523 # HAS_UNKNOWN_ATOMS 2 # HAS_DUPLICATE_ATOMS 0 # CHAIN_BREAK_BEFORE 208 # NON_PLANAR_PEPTIDE 143 # BAD_PEPTIDE 1959 # Note: may sum to more than number of residues, # because one residue may have multiple problems # command:# Reading rotamer library from dunbrack-1332.rot # command:# Prefix for input files set to /projects/compbio/experiments/undertaker/spots/ # command:# ReadAtomType exp-pdb.types Read AtomType exp-pdb with 49 types. # command:# ReadClashTable exp-pdb-2191-2symm.clash # Read ClashTable exp-pdb-2191-2symm checking bonds symmetric at MaxSep 2 # command:# command:CPU_time= 5.86311 sec, elapsed time= 6.14815 sec) # command:# Reading spots from monomeric-50pc-dry-5.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-dry-5.hist # created burial cost function dry5 with radius 5 with spots at monomeric-50pc-dry-5.spot # command:# Reading spots from monomeric-50pc-wet-6.5.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-wet-6.5.hist # created burial cost function wet6.5 with radius 6.5 with spots at monomeric-50pc-wet-6.5.spot # command:# Reading spots from monomeric-50pc-dry-6.5.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-dry-6.5.hist # created burial cost function dry6.5 with radius 6.5 with spots at monomeric-50pc-dry-6.5.spot # command:# Reading spots from monomeric-50pc-generic-6.5.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-generic-6.5.hist # created burial cost function gen6.5 with radius 6.5 with spots at monomeric-50pc-generic-6.5.spot # command:# Reading spots from near-backbone-center.spot # reading histogram from smoothed-near-backbone-2spot.hist # Reading spots from near-backbone-count.spot # created burial cost function near_backbone with radius 9.65 with spots at near-backbone-center.spot counting only near-backbone-count.spot # command:# Reading spots from way-back-center.spot # reading histogram from smoothed-way-back-2spot.hist # Reading spots from way-back-count.spot # created burial cost function way_back with radius 8.9 with spots at way-back-center.spot counting only way-back-count.spot # command:# Reading spots from monomeric-50pc-dry-8.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-dry-8.hist # created burial cost function dry8 with radius 8 with spots at monomeric-50pc-dry-8.spot # command:# Reading spots from monomeric-50pc-dry-10.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-dry-10.hist # created burial cost function dry10 with radius 10 with spots at monomeric-50pc-dry-10.spot # command:# Reading spots from monomeric-50pc-dry-12.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-dry-12.hist # created burial cost function dry12 with radius 12 with spots at monomeric-50pc-dry-12.spot # command:# reading histogram from dunbrack-2191-alpha.hist # created alpha cost function alpha with offset 0 and 360 bins # command:# reading histogram from dunbrack-2191-alpha-1.hist # created alpha cost function alpha_prev with offset -1 and 360 bins # command:# Prefix for input files set to /projects/compbio/lib/alphabet/ # command:# Read 3 alphabets from alpha.alphabet # command:CPU_time= 5.9411 sec, elapsed time= 6.5522 sec) # command:# Prefix for input files set to # command:# Making conformation for sequence T0303 numbered 1 through 224 Created new target T0303 from T0303.a2m # command:# command:# No conformations to remove in PopConform # command:# cleared Id set # command:# command:2hszA expands to /projects/compbio/data/pdb/2hsz.pdb.gz 2hszA:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 21, because occupancy 5.0000000e-01 <= existing 0.500 in 2hszA Skipped atom 23, because occupancy 0.500 <= existing 0.500 in 2hszA Skipped atom 25, because occupancy 0.500 <= existing 0.500 in 2hszA Skipped atom 27, because occupancy 0.500 <= existing 0.500 in 2hszA Skipped atom 29, because occupancy 0.500 <= existing 0.500 in 2hszA Skipped atom 31, because occupancy 0.500 <= existing 0.500 in 2hszA Skipped atom 33, because occupancy 0.500 <= existing 0.500 in 2hszA Skipped atom 35, because occupancy 0.500 <= existing 0.500 in 2hszA Skipped atom 37, because occupancy 0.500 <= existing 0.500 in 2hszA Skipped atom 261, because occupancy 0.500 <= existing 0.500 in 2hszA Skipped atom 265, because occupancy 0.500 <= existing 0.500 in 2hszA Skipped atom 267, because occupancy 0.500 <= existing 0.500 in 2hszA Skipped atom 269, because occupancy 0.500 <= existing 0.500 in 2hszA Skipped atom 271, because occupancy 0.500 <= existing 0.500 in 2hszA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 729, because occupancy 0.500 <= existing 0.500 in 2hszA Skipped atom 733, because occupancy 0.500 <= existing 0.500 in 2hszA Skipped atom 735, because occupancy 0.500 <= existing 0.500 in 2hszA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Read 225 residues and 1758 atoms. # choosing archetypes in rotamer library # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # command:# Saving current conformation as real # command:# Prefix for output files set to decoys/ # command:# SetRealCost created real_cost = # ( 50 * real_hbond + 50 * real_hbond_u + 50 * decoy_hbond + 50 * decoy_hbond_u + 10 * real_NO_hbond + 10 * real_NO_hbond_u + 10 * decoy_NO_hbond + 10 * decoy_NO_hbond_u + 10 * knot + 200 * clens + 0 * rmsd + 35 * log_rmsd + 0 * rmsd_ca + 30 * log_rmsd_ca + 1 * GDT + 1 * smooth_GDT + 0.2 * missing_atoms ) # command:# SetCost created cost = # ) # command:CPU_time= 10.0815 sec, elapsed time= 10.7486 sec) # command:# Prefix for input files set to # command:# ReadConformPDB reading from PDB file model1.ts-submitted looking for model 1 # Found a chain break before 221 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -68.3036 # GDT_score(maxd=8,maxw=2.9)= -70.656 # GDT_score(maxd=8,maxw=3.2)= -67.4175 # GDT_score(maxd=8,maxw=3.5)= -64.0843 # GDT_score(maxd=10,maxw=3.8)= -67.1749 # GDT_score(maxd=10,maxw=4)= -65.0564 # GDT_score(maxd=10,maxw=4.2)= -63.0056 # GDT_score(maxd=12,maxw=4.3)= -66.8243 # GDT_score(maxd=12,maxw=4.5)= -64.8156 # GDT_score(maxd=12,maxw=4.7)= -62.8311 # GDT_score(maxd=14,maxw=5.2)= -61.7865 # GDT_score(maxd=14,maxw=5.5)= -58.9846 # command:# Prefix for output files set to # command:superimposing iter= 0 total_weight= 2648.000 rmsd (weighted)= 4.252 (unweighted)= 9.710 superimposing iter= 1 total_weight= 6547.460 rmsd (weighted)= 2.043 (unweighted)= 9.686 superimposing iter= 2 total_weight= 2921.651 rmsd (weighted)= 1.518 (unweighted)= 9.716 superimposing iter= 3 total_weight= 2357.007 rmsd (weighted)= 1.273 (unweighted)= 9.761 superimposing iter= 4 total_weight= 2126.496 rmsd (weighted)= 1.133 (unweighted)= 9.803 superimposing iter= 5 total_weight= 2003.577 rmsd (weighted)= 1.043 (unweighted)= 9.842 # command:# Prefix for output files set to decoys/ # command:# request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1015140784.pdb -s /var/tmp/to_scwrl_1015140784.seq -o /var/tmp/from_scwrl_1015140784.pdb > /var/tmp/scwrl_1015140784.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1015140784.pdb # conformation set from SCWRL output # command:# naming current conformation model1-scwrl # command:# ReadConformPDB reading from PDB file model2.ts-submitted looking for model 1 # Found a chain break before 214 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -62.7232 # GDT_score(maxd=8,maxw=2.9)= -63.1321 # GDT_score(maxd=8,maxw=3.2)= -60.3595 # GDT_score(maxd=8,maxw=3.5)= -57.7154 # GDT_score(maxd=10,maxw=3.8)= -61.1003 # GDT_score(maxd=10,maxw=4)= -59.3538 # GDT_score(maxd=10,maxw=4.2)= -57.6475 # GDT_score(maxd=12,maxw=4.3)= -61.3995 # GDT_score(maxd=12,maxw=4.5)= -59.6924 # GDT_score(maxd=12,maxw=4.7)= -58.0018 # GDT_score(maxd=14,maxw=5.2)= -57.535 # GDT_score(maxd=14,maxw=5.5)= -55.1346 # command:# request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1151341273.pdb -s /var/tmp/to_scwrl_1151341273.seq -o /var/tmp/from_scwrl_1151341273.pdb > /var/tmp/scwrl_1151341273.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1151341273.pdb # conformation set from SCWRL output # command:# naming current conformation model2-scwrl # command:# ReadConformPDB reading from PDB file model3.ts-submitted looking for model 1 # Found a chain break before 218 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -73.1027 # GDT_score(maxd=8,maxw=2.9)= -76.3301 # GDT_score(maxd=8,maxw=3.2)= -72.4955 # GDT_score(maxd=8,maxw=3.5)= -68.7391 # GDT_score(maxd=10,maxw=3.8)= -71.587 # GDT_score(maxd=10,maxw=4)= -69.2349 # GDT_score(maxd=10,maxw=4.2)= -66.9575 # GDT_score(maxd=12,maxw=4.3)= -70.7149 # GDT_score(maxd=12,maxw=4.5)= -68.5002 # GDT_score(maxd=12,maxw=4.7)= -66.3473 # GDT_score(maxd=14,maxw=5.2)= -64.9743 # GDT_score(maxd=14,maxw=5.5)= -62.004 # command:# request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1586127128.pdb -s /var/tmp/to_scwrl_1586127128.seq -o /var/tmp/from_scwrl_1586127128.pdb > /var/tmp/scwrl_1586127128.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1586127128.pdb # conformation set from SCWRL output # command:# naming current conformation model3-scwrl # command:# ReadConformPDB reading from PDB file model4.ts-submitted looking for model 1 # Found a chain break before 214 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -55.3571 # GDT_score(maxd=8,maxw=2.9)= -56.1176 # GDT_score(maxd=8,maxw=3.2)= -53.8698 # GDT_score(maxd=8,maxw=3.5)= -51.5961 # GDT_score(maxd=10,maxw=3.8)= -54.3792 # GDT_score(maxd=10,maxw=4)= -52.8878 # GDT_score(maxd=10,maxw=4.2)= -51.4199 # GDT_score(maxd=12,maxw=4.3)= -54.8297 # GDT_score(maxd=12,maxw=4.5)= -53.3513 # GDT_score(maxd=12,maxw=4.7)= -51.8406 # GDT_score(maxd=14,maxw=5.2)= -51.6243 # GDT_score(maxd=14,maxw=5.5)= -49.4723 # command:# request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_993380638.pdb -s /var/tmp/to_scwrl_993380638.seq -o /var/tmp/from_scwrl_993380638.pdb > /var/tmp/scwrl_993380638.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_993380638.pdb # conformation set from SCWRL output # command:# naming current conformation model4-scwrl # command:# ReadConformPDB reading from PDB file model5.ts-submitted looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # command:# fraction of real conformation used = 0.883929 # GDT_score = -66.9643 # GDT_score(maxd=8,maxw=2.9)= -70.8184 # GDT_score(maxd=8,maxw=3.2)= -66.982 # GDT_score(maxd=8,maxw=3.5)= -63.2515 # GDT_score(maxd=10,maxw=3.8)= -65.5847 # GDT_score(maxd=10,maxw=4)= -63.3149 # GDT_score(maxd=10,maxw=4.2)= -61.1005 # GDT_score(maxd=12,maxw=4.3)= -64.4549 # GDT_score(maxd=12,maxw=4.5)= -62.3165 # GDT_score(maxd=12,maxw=4.7)= -60.2691 # GDT_score(maxd=14,maxw=5.2)= -58.8833 # GDT_score(maxd=14,maxw=5.5)= -56.1911 # command:# request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_632002358.pdb -s /var/tmp/to_scwrl_632002358.seq -o /var/tmp/from_scwrl_632002358.pdb > /var/tmp/scwrl_632002358.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_632002358.pdb # conformation set from SCWRL output # command:# naming current conformation model5-scwrl # command:# Prefix for input files set to decoys/ # command:# ReadConformPDB reading from PDB file T0303.try1-opt2.pdb looking for model 1 # Found a chain break before 214 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -58.0357 # GDT_score(maxd=8,maxw=2.9)= -58.5444 # GDT_score(maxd=8,maxw=3.2)= -56.3549 # GDT_score(maxd=8,maxw=3.5)= -54.0168 # GDT_score(maxd=10,maxw=3.8)= -56.7965 # GDT_score(maxd=10,maxw=4)= -55.1751 # GDT_score(maxd=10,maxw=4.2)= -53.5312 # GDT_score(maxd=12,maxw=4.3)= -57.0316 # GDT_score(maxd=12,maxw=4.5)= -55.3954 # GDT_score(maxd=12,maxw=4.7)= -53.8006 # GDT_score(maxd=14,maxw=5.2)= -53.3913 # GDT_score(maxd=14,maxw=5.5)= -51.0909 # command:# Prefix for output files set to # command:superimposing iter= 0 total_weight= 2648.000 rmsd (weighted)= 7.204 (unweighted)= 11.336 superimposing iter= 1 total_weight= 9561.412 rmsd (weighted)= 2.528 (unweighted)= 11.322 superimposing iter= 2 total_weight= 5256.844 rmsd (weighted)= 1.382 (unweighted)= 11.332 superimposing iter= 3 total_weight= 2882.545 rmsd (weighted)= 1.061 (unweighted)= 11.340 superimposing iter= 4 total_weight= 2072.097 rmsd (weighted)= 0.967 (unweighted)= 11.347 superimposing iter= 5 total_weight= 1879.811 rmsd (weighted)= 0.927 (unweighted)= 11.354 # command:# Prefix for output files set to decoys/ # command:# Prefix for input files set to # command:# ReadConformPDB reading from PDB file T0303.undertaker-align.pdb looking for model 1 WARNING: atoms too close: (T0303)Q56.C and (T0303)E67.C only 0.000 apart, marking (T0303)E67.C as missing WARNING: atoms too close: (T0303)R57.N and (T0303)K68.N only 0.000 apart, marking (T0303)R57.N as missing WARNING: atoms too close: (T0303)R57.CA and (T0303)K68.CA only 0.000 apart, marking (T0303)R57.CA as missing WARNING: atoms too close: (T0303)Q110.C and (T0303)G111.C only 0.000 apart, marking (T0303)G111.C as missing WARNING: atoms too close: (T0303)G111.N and (T0303)Y112.N only 0.000 apart, marking (T0303)G111.N as missing WARNING: atoms too close: (T0303)G111.CA and (T0303)Y112.CA only 0.000 apart, marking (T0303)G111.CA as missing WARNING: atoms too close: (T0303)K151.C and (T0303)H153.C only 0.000 apart, marking (T0303)H153.C as missing WARNING: atoms too close: (T0303)P152.N and (T0303)P154.N only 0.000 apart, marking (T0303)P152.N as missing WARNING: atoms too close: (T0303)P152.CA and (T0303)P154.CA only 0.000 apart, marking (T0303)P152.CA as missing # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # command:# naming current conformation align1 # command:# fraction of real conformation used = 0.90625 # GDT_score = -68.75 # GDT_score(maxd=8,maxw=2.9)= -72.905 # GDT_score(maxd=8,maxw=3.2)= -69.0417 # GDT_score(maxd=8,maxw=3.5)= -65.2784 # GDT_score(maxd=10,maxw=3.8)= -67.6306 # GDT_score(maxd=10,maxw=4)= -65.3171 # GDT_score(maxd=10,maxw=4.2)= -63.0667 # GDT_score(maxd=12,maxw=4.3)= -66.4679 # GDT_score(maxd=12,maxw=4.5)= -64.297 # GDT_score(maxd=12,maxw=4.7)= -62.2266 # GDT_score(maxd=14,maxw=5.2)= -60.817 # GDT_score(maxd=14,maxw=5.5)= -58.0881 # command:# ReadConformPDB reading from PDB file T0303.undertaker-align.pdb looking for model 2 WARNING: atoms too close: (T0303)D60.C and (T0303)A66.C only 0.000 apart, marking (T0303)A66.C as missing WARNING: atoms too close: (T0303)W61.N and (T0303)E67.N only 0.000 apart, marking (T0303)W61.N as missing WARNING: atoms too close: (T0303)W61.CA and (T0303)E67.CA only 0.000 apart, marking (T0303)W61.CA as missing WARNING: atoms too close: (T0303)S207.C and (T0303)K208.C only 0.000 apart, marking (T0303)K208.C as missing WARNING: atoms too close: (T0303)K208.N and (T0303)P209.N only 0.000 apart, marking (T0303)K208.N as missing WARNING: atoms too close: (T0303)K208.CA and (T0303)P209.CA only 0.000 apart, marking (T0303)K208.CA as missing # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # command:# naming current conformation align2 # command:# fraction of real conformation used = 0.897321 # GDT_score = -60.0446 # GDT_score(maxd=8,maxw=2.9)= -62.9466 # GDT_score(maxd=8,maxw=3.2)= -59.5672 # GDT_score(maxd=8,maxw=3.5)= -56.3808 # GDT_score(maxd=10,maxw=3.8)= -59.3739 # GDT_score(maxd=10,maxw=4)= -57.3362 # GDT_score(maxd=10,maxw=4.2)= -55.3449 # GDT_score(maxd=12,maxw=4.3)= -58.9711 # GDT_score(maxd=12,maxw=4.5)= -57.0176 # GDT_score(maxd=12,maxw=4.7)= -55.1303 # GDT_score(maxd=14,maxw=5.2)= -54.2276 # GDT_score(maxd=14,maxw=5.5)= -51.6943 # command:# ReadConformPDB reading from PDB file T0303.undertaker-align.pdb looking for model 3 WARNING: atoms too close: (T0303)D60.C and (T0303)T64.C only 0.000 apart, marking (T0303)T64.C as missing WARNING: atoms too close: (T0303)W61.N and (T0303)Q65.N only 0.000 apart, marking (T0303)W61.N as missing WARNING: atoms too close: (T0303)W61.CA and (T0303)Q65.CA only 0.000 apart, marking (T0303)W61.CA as missing WARNING: atoms too close: (T0303)L107.C and (T0303)Q110.C only 0.000 apart, marking (T0303)Q110.C as missing WARNING: atoms too close: (T0303)K108.N and (T0303)G111.N only 0.000 apart, marking (T0303)K108.N as missing WARNING: atoms too close: (T0303)K108.CA and (T0303)G111.CA only 0.000 apart, marking (T0303)K108.CA as missing WARNING: atoms too close: (T0303)T195.C and (T0303)Y196.C only 0.000 apart, marking (T0303)Y196.C as missing WARNING: atoms too close: (T0303)Y196.N and (T0303)G197.N only 0.000 apart, marking (T0303)Y196.N as missing WARNING: atoms too close: (T0303)Y196.CA and (T0303)G197.CA only 0.000 apart, marking (T0303)Y196.CA as missing # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # command:# naming current conformation align3 # command:# ReadConformPDB reading from PDB file T0303.undertaker-align.pdb looking for model 4 WARNING: atoms too close: (T0303)Y86.C and (T0303)L90.C only 0.000 apart, marking (T0303)L90.C as missing WARNING: atoms too close: (T0303)G87.N and (T0303)C91.N only 0.000 apart, marking (T0303)G87.N as missing WARNING: atoms too close: (T0303)G87.CA and (T0303)C91.CA only 0.000 apart, marking (T0303)G87.CA as missing WARNING: atoms too close: (T0303)Q110.C and (T0303)G111.C only 0.000 apart, marking (T0303)G111.C as missing WARNING: atoms too close: (T0303)G111.N and (T0303)Y112.N only 0.000 apart, marking (T0303)G111.N as missing WARNING: atoms too close: (T0303)G111.CA and (T0303)Y112.CA only 0.000 apart, marking (T0303)G111.CA as missing WARNING: atoms too close: (T0303)P203.C and (T0303)I204.C only 0.000 apart, marking (T0303)I204.C as missing WARNING: atoms too close: (T0303)I204.N and (T0303)A205.N only 0.000 apart, marking (T0303)I204.N as missing WARNING: atoms too close: (T0303)I204.CA and (T0303)A205.CA only 0.000 apart, marking (T0303)I204.CA as missing # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # command:# naming current conformation align4 # command:# ReadConformPDB reading from PDB file T0303.undertaker-align.pdb looking for model 5 WARNING: atoms too close: (T0303)L30.C and (T0303)S39.C only 0.000 apart, marking (T0303)S39.C as missing WARNING: atoms too close: (T0303)K31.N and (T0303)E40.N only 0.000 apart, marking (T0303)K31.N as missing WARNING: atoms too close: (T0303)K31.CA and (T0303)E40.CA only 0.000 apart, marking (T0303)K31.CA as missing WARNING: atoms too close: (T0303)F82.C and (T0303)C91.C only 0.000 apart, marking (T0303)C91.C as missing WARNING: atoms too close: (T0303)G83.N and (T0303)N92.N only 0.000 apart, marking (T0303)G83.N as missing WARNING: atoms too close: (T0303)G83.CA and (T0303)N92.CA only 0.000 apart, marking (T0303)G83.CA as missing WARNING: atoms too close: (T0303)P203.C and (T0303)I204.C only 0.000 apart, marking (T0303)I204.C as missing WARNING: atoms too close: (T0303)I204.N and (T0303)A205.N only 0.000 apart, marking (T0303)I204.N as missing WARNING: atoms too close: (T0303)I204.CA and (T0303)A205.CA only 0.000 apart, marking (T0303)I204.CA as missing # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # command:# naming current conformation align5 # command:# Prefix for input files set to decoys/ # command:# reading script from file read-pdb+servers.under # ReadConformPDB reading from PDB file ../model1.ts-submitted looking for model 1 # Found a chain break before 221 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model2.ts-submitted looking for model 1 # Found a chain break before 214 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model3.ts-submitted looking for model 1 # Found a chain break before 218 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model4.ts-submitted looking for model 1 # Found a chain break before 214 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model5.ts-submitted looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # ReadConformPDB reading from PDB file T0303.try1-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 214 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try1-opt1.pdb.gz looking for model 1 # Found a chain break before 214 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try1-opt2.gromacs0.pdb.gz looking for model 1 Error: Reading chain from PDB file T0303.try1-opt2.gromacs0.pdb.gz failed. # ReadConformPDB reading from PDB file T0303.try1-opt2.pdb.gz looking for model 1 # Found a chain break before 214 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try1-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 214 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try10-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 214 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try10-opt1.pdb.gz looking for model 1 # Found a chain break before 214 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try10-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 210 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try10-opt2.pdb.gz looking for model 1 # Found a chain break before 214 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try10-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 214 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try11-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 208 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try11-opt1.pdb.gz looking for model 1 # Found a chain break before 208 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try11-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 209 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try11-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 209 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try11-opt2.pdb.gz looking for model 1 # Found a chain break before 221 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try11-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 221 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try12-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 218 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try12-opt1.pdb.gz looking for model 1 # Found a chain break before 218 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try12-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 154 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try12-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 154 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try12-opt2.pdb.gz looking for model 1 # Found a chain break before 218 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try12-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 218 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try13-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 218 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try13-opt1.pdb.gz looking for model 1 # Found a chain break before 218 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try13-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 176 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try13-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 176 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try13-opt2.pdb.gz looking for model 1 # Found a chain break before 221 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try13-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 221 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try14-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 218 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try14-opt1.pdb.gz looking for model 1 # Found a chain break before 218 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try14-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 219 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try14-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 219 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try14-opt2.pdb.gz looking for model 1 # Found a chain break before 221 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try14-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 221 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try15-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 210 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try15-opt1.pdb.gz looking for model 1 # Found a chain break before 210 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try15-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 215 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try15-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 215 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try15-opt2.pdb.gz looking for model 1 # Found a chain break before 210 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try15-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 210 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try16-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 221 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try16-opt1.pdb.gz looking for model 1 # Found a chain break before 221 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try16-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 196 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try16-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 196 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try16-opt2.pdb.gz looking for model 1 # Found a chain break before 221 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try16-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 221 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try17-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 210 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try17-opt1.pdb.gz looking for model 1 # Found a chain break before 210 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try17-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 215 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try17-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 215 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try17-opt2.pdb.gz looking for model 1 # Found a chain break before 210 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try17-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 210 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try2-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 214 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try2-opt1.pdb.gz looking for model 1 # Found a chain break before 214 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try2-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 209 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try2-opt2.pdb.gz looking for model 1 # Found a chain break before 214 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try2-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 214 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try3-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 218 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try3-opt1.pdb.gz looking for model 1 # Found a chain break before 218 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try3-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 176 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try3-opt2.pdb.gz looking for model 1 # Found a chain break before 218 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try3-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 218 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try4-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 214 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try4-opt1.pdb.gz looking for model 1 # Found a chain break before 214 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try4-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 210 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try4-opt2.pdb.gz looking for model 1 # Found a chain break before 214 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try4-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 214 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try5-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 217 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try5-opt1.pdb.gz looking for model 1 # Found a chain break before 217 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try5-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 160 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try5-opt2.pdb.gz looking for model 1 # Found a chain break before 210 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try5-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 210 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try6-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 207 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try6-opt1.pdb.gz looking for model 1 # Found a chain break before 207 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try6-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 208 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try6-opt2.pdb.gz looking for model 1 # Found a chain break before 207 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try6-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 207 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try7-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 222 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try7-opt1.pdb.gz looking for model 1 # Found a chain break before 222 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try7-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 126 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try7-opt2.pdb.gz looking for model 1 # Found a chain break before 222 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try7-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 222 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try8-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 214 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try8-opt1.pdb.gz looking for model 1 # Found a chain break before 214 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try8-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 210 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try8-opt2.pdb.gz looking for model 1 # Found a chain break before 214 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try8-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 214 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try9-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 218 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try9-opt1.pdb.gz looking for model 1 # Found a chain break before 218 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try9-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 197 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try9-opt2.pdb.gz looking for model 1 # Found a chain break before 221 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try9-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 221 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file chimera1.pdb.gz looking for model 1 # Found a chain break before 218 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file chimera2.pdb.gz looking for model 1 # Found a chain break before 214 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1377052546.pdb -s /var/tmp/to_scwrl_1377052546.seq -o /var/tmp/from_scwrl_1377052546.pdb > /var/tmp/scwrl_1377052546.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1377052546.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_POPULUS_TS1-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1589639879.pdb -s /var/tmp/to_scwrl_1589639879.seq -o /var/tmp/from_scwrl_1589639879.pdb > /var/tmp/scwrl_1589639879.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1589639879.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_POPULUS_TS2-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_721072075.pdb -s /var/tmp/to_scwrl_721072075.seq -o /var/tmp/from_scwrl_721072075.pdb > /var/tmp/scwrl_721072075.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_721072075.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_POPULUS_TS3-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1917943589.pdb -s /var/tmp/to_scwrl_1917943589.seq -o /var/tmp/from_scwrl_1917943589.pdb > /var/tmp/scwrl_1917943589.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1917943589.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_POPULUS_TS4-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_844119312.pdb -s /var/tmp/to_scwrl_844119312.seq -o /var/tmp/from_scwrl_844119312.pdb > /var/tmp/scwrl_844119312.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_844119312.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_POPULUS_TS5-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_794489456.pdb -s /var/tmp/to_scwrl_794489456.seq -o /var/tmp/from_scwrl_794489456.pdb > /var/tmp/scwrl_794489456.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_794489456.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_RECOM_TS1-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_224980076.pdb -s /var/tmp/to_scwrl_224980076.seq -o /var/tmp/from_scwrl_224980076.pdb > /var/tmp/scwrl_224980076.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_224980076.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_RECOM_TS2-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1276704928.pdb -s /var/tmp/to_scwrl_1276704928.seq -o /var/tmp/from_scwrl_1276704928.pdb > /var/tmp/scwrl_1276704928.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1276704928.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_RECOM_TS3-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1929478213.pdb -s /var/tmp/to_scwrl_1929478213.seq -o /var/tmp/from_scwrl_1929478213.pdb > /var/tmp/scwrl_1929478213.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1929478213.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_RECOM_TS4-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_933812818.pdb -s /var/tmp/to_scwrl_933812818.seq -o /var/tmp/from_scwrl_933812818.pdb > /var/tmp/scwrl_933812818.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_933812818.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_RECOM_TS5-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1290278099.pdb -s /var/tmp/to_scwrl_1290278099.seq -o /var/tmp/from_scwrl_1290278099.pdb > /var/tmp/scwrl_1290278099.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1290278099.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_TS1-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1017763046.pdb -s /var/tmp/to_scwrl_1017763046.seq -o /var/tmp/from_scwrl_1017763046.pdb > /var/tmp/scwrl_1017763046.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1017763046.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_TS2-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1980780101.pdb -s /var/tmp/to_scwrl_1980780101.seq -o /var/tmp/from_scwrl_1980780101.pdb > /var/tmp/scwrl_1980780101.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1980780101.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_TS3-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1042582737.pdb -s /var/tmp/to_scwrl_1042582737.seq -o /var/tmp/from_scwrl_1042582737.pdb > /var/tmp/scwrl_1042582737.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1042582737.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_TS4-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1426608364.pdb -s /var/tmp/to_scwrl_1426608364.seq -o /var/tmp/from_scwrl_1426608364.pdb > /var/tmp/scwrl_1426608364.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1426608364.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_TS5-scwrl # ReadConformPDB reading from PDB file servers/3Dpro_TS1.pdb.gz looking for model 1 # Found a chain break before 208 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_167487027.pdb -s /var/tmp/to_scwrl_167487027.seq -o /var/tmp/from_scwrl_167487027.pdb > /var/tmp/scwrl_167487027.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_167487027.pdb # conformation set from SCWRL output # naming current conformation 3Dpro_TS1-scwrl # ReadConformPDB reading from PDB file servers/3Dpro_TS2.pdb.gz looking for model 1 # Found a chain break before 220 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_348720220.pdb -s /var/tmp/to_scwrl_348720220.seq -o /var/tmp/from_scwrl_348720220.pdb > /var/tmp/scwrl_348720220.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_348720220.pdb # conformation set from SCWRL output # naming current conformation 3Dpro_TS2-scwrl # ReadConformPDB reading from PDB file servers/3Dpro_TS3.pdb.gz looking for model 1 # Found a chain break before 217 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_698571097.pdb -s /var/tmp/to_scwrl_698571097.seq -o /var/tmp/from_scwrl_698571097.pdb > /var/tmp/scwrl_698571097.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_698571097.pdb # conformation set from SCWRL output # naming current conformation 3Dpro_TS3-scwrl # ReadConformPDB reading from PDB file servers/3Dpro_TS4.pdb.gz looking for model 1 # Found a chain break before 213 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_17688063.pdb -s /var/tmp/to_scwrl_17688063.seq -o /var/tmp/from_scwrl_17688063.pdb > /var/tmp/scwrl_17688063.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_17688063.pdb # conformation set from SCWRL output # naming current conformation 3Dpro_TS4-scwrl # ReadConformPDB reading from PDB file servers/3Dpro_TS5.pdb.gz looking for model 1 # Found a chain break before 196 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_997476095.pdb -s /var/tmp/to_scwrl_997476095.seq -o /var/tmp/from_scwrl_997476095.pdb > /var/tmp/scwrl_997476095.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_997476095.pdb # conformation set from SCWRL output # naming current conformation 3Dpro_TS5-scwrl # ReadConformPDB reading from PDB file servers/ABIpro_TS1.pdb.gz looking for model 1 # Found a chain break before 208 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1911394324.pdb -s /var/tmp/to_scwrl_1911394324.seq -o /var/tmp/from_scwrl_1911394324.pdb > /var/tmp/scwrl_1911394324.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1911394324.pdb # conformation set from SCWRL output # naming current conformation ABIpro_TS1-scwrl # ReadConformPDB reading from PDB file servers/ABIpro_TS2.pdb.gz looking for model 1 # Found a chain break before 214 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_2073949293.pdb -s /var/tmp/to_scwrl_2073949293.seq -o /var/tmp/from_scwrl_2073949293.pdb > /var/tmp/scwrl_2073949293.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2073949293.pdb # conformation set from SCWRL output # naming current conformation ABIpro_TS2-scwrl # ReadConformPDB reading from PDB file servers/ABIpro_TS3.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1733202415.pdb -s /var/tmp/to_scwrl_1733202415.seq -o /var/tmp/from_scwrl_1733202415.pdb > /var/tmp/scwrl_1733202415.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1733202415.pdb # conformation set from SCWRL output # naming current conformation ABIpro_TS3-scwrl # ReadConformPDB reading from PDB file servers/ABIpro_TS4.pdb.gz looking for model 1 # Found a chain break before 212 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_452430776.pdb -s /var/tmp/to_scwrl_452430776.seq -o /var/tmp/from_scwrl_452430776.pdb > /var/tmp/scwrl_452430776.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_452430776.pdb # conformation set from SCWRL output # naming current conformation ABIpro_TS4-scwrl # ReadConformPDB reading from PDB file servers/ABIpro_TS5.pdb.gz looking for model 1 # Found a chain break before 218 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1262995229.pdb -s /var/tmp/to_scwrl_1262995229.seq -o /var/tmp/from_scwrl_1262995229.pdb > /var/tmp/scwrl_1262995229.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1262995229.pdb # conformation set from SCWRL output # naming current conformation ABIpro_TS5-scwrl # ReadConformPDB reading from PDB file servers/BayesHH_TS1.pdb.gz looking for model 1 # Found a chain break before 217 # copying to AlignedFragments data structure # naming current conformation BayesHH_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_464022843.pdb -s /var/tmp/to_scwrl_464022843.seq -o /var/tmp/from_scwrl_464022843.pdb > /var/tmp/scwrl_464022843.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_464022843.pdb # conformation set from SCWRL output # naming current conformation BayesHH_TS1-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS1.pdb.gz looking for model 1 # Found a chain break before 200 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1467571559.pdb -s /var/tmp/to_scwrl_1467571559.seq -o /var/tmp/from_scwrl_1467571559.pdb > /var/tmp/scwrl_1467571559.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1467571559.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS1-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS2.pdb.gz looking for model 1 # Found a chain break before 199 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_266852856.pdb -s /var/tmp/to_scwrl_266852856.seq -o /var/tmp/from_scwrl_266852856.pdb > /var/tmp/scwrl_266852856.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_266852856.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS2-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS3.pdb.gz looking for model 1 # Found a chain break before 188 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_2050149972.pdb -s /var/tmp/to_scwrl_2050149972.seq -o /var/tmp/from_scwrl_2050149972.pdb > /var/tmp/scwrl_2050149972.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2050149972.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS3-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS4.pdb.gz looking for model 1 # Found a chain break before 199 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_313468550.pdb -s /var/tmp/to_scwrl_313468550.seq -o /var/tmp/from_scwrl_313468550.pdb > /var/tmp/scwrl_313468550.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_313468550.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS4-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS5.pdb.gz looking for model 1 # Found a chain break before 176 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_898855214.pdb -s /var/tmp/to_scwrl_898855214.seq -o /var/tmp/from_scwrl_898855214.pdb > /var/tmp/scwrl_898855214.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_898855214.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS5-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS1.pdb.gz looking for model 1 # Found a chain break before 161 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1279718871.pdb -s /var/tmp/to_scwrl_1279718871.seq -o /var/tmp/from_scwrl_1279718871.pdb > /var/tmp/scwrl_1279718871.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1279718871.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS1-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS2.pdb.gz looking for model 1 # Found a chain break before 223 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1903108430.pdb -s /var/tmp/to_scwrl_1903108430.seq -o /var/tmp/from_scwrl_1903108430.pdb > /var/tmp/scwrl_1903108430.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1903108430.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS2-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS3.pdb.gz looking for model 1 # Found a chain break before 217 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1619927288.pdb -s /var/tmp/to_scwrl_1619927288.seq -o /var/tmp/from_scwrl_1619927288.pdb > /var/tmp/scwrl_1619927288.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1619927288.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS3-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS4.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1050178815.pdb -s /var/tmp/to_scwrl_1050178815.seq -o /var/tmp/from_scwrl_1050178815.pdb > /var/tmp/scwrl_1050178815.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1050178815.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS4-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS5.pdb.gz looking for model 1 # Found a chain break before 200 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_599744095.pdb -s /var/tmp/to_scwrl_599744095.seq -o /var/tmp/from_scwrl_599744095.pdb > /var/tmp/scwrl_599744095.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_599744095.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS5-scwrl # ReadConformPDB reading from PDB file servers/CPHmodels_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation CPHmodels_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_266933097.pdb -s /var/tmp/to_scwrl_266933097.seq -o /var/tmp/from_scwrl_266933097.pdb > /var/tmp/scwrl_266933097.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_266933097.pdb # conformation set from SCWRL output # naming current conformation CPHmodels_TS1-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1275158890.pdb -s /var/tmp/to_scwrl_1275158890.seq -o /var/tmp/from_scwrl_1275158890.pdb > /var/tmp/scwrl_1275158890.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1275158890.pdb # conformation set from SCWRL output # naming current conformation CaspIta-FOX_TS1-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation CaspIta-FOX_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1876449023.pdb -s /var/tmp/to_scwrl_1876449023.seq -o /var/tmp/from_scwrl_1876449023.pdb > /var/tmp/scwrl_1876449023.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1876449023.pdb # conformation set from SCWRL output # naming current conformation CaspIta-FOX_TS2-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_48927664.pdb -s /var/tmp/to_scwrl_48927664.seq -o /var/tmp/from_scwrl_48927664.pdb > /var/tmp/scwrl_48927664.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_48927664.pdb # conformation set from SCWRL output # naming current conformation CaspIta-FOX_TS3-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation CaspIta-FOX_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_61488061.pdb -s /var/tmp/to_scwrl_61488061.seq -o /var/tmp/from_scwrl_61488061.pdb > /var/tmp/scwrl_61488061.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_61488061.pdb # conformation set from SCWRL output # naming current conformation CaspIta-FOX_TS4-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1019243476.pdb -s /var/tmp/to_scwrl_1019243476.seq -o /var/tmp/from_scwrl_1019243476.pdb > /var/tmp/scwrl_1019243476.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1019243476.pdb # conformation set from SCWRL output # naming current conformation CaspIta-FOX_TS5-scwrl # ReadConformPDB reading from PDB file servers/Distill_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation Distill_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1066690710.pdb -s /var/tmp/to_scwrl_1066690710.seq -o /var/tmp/from_scwrl_1066690710.pdb > /var/tmp/scwrl_1066690710.log Error: Couldn't open file /var/tmp/from_scwrl_1066690710.pdb or /var/tmp/from_scwrl_1066690710.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1066690710_b.pdb or decoys//var/tmp/from_scwrl_1066690710_b.pdb.gz for input Trying /var/tmp/from_scwrl_1066690710_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1066690710_b.pdb or /var/tmp/from_scwrl_1066690710_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1066690710_a.pdb or decoys//var/tmp/from_scwrl_1066690710_a.pdb.gz for input Trying /var/tmp/from_scwrl_1066690710_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1066690710_a.pdb or /var/tmp/from_scwrl_1066690710_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1066690710.pdb or /var/tmp/from_scwrl_1066690710_b.pdb or /var/tmp/from_scwrl_1066690710_a.pdb Error: no new SCWRL conformation added # naming current conformation Distill_TS1-scwrl # ReadConformPDB reading from PDB file servers/Distill_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation Distill_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_2042268163.pdb -s /var/tmp/to_scwrl_2042268163.seq -o /var/tmp/from_scwrl_2042268163.pdb > /var/tmp/scwrl_2042268163.log Error: Couldn't open file /var/tmp/from_scwrl_2042268163.pdb or /var/tmp/from_scwrl_2042268163.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2042268163_b.pdb or decoys//var/tmp/from_scwrl_2042268163_b.pdb.gz for input Trying /var/tmp/from_scwrl_2042268163_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2042268163_b.pdb or /var/tmp/from_scwrl_2042268163_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2042268163_a.pdb or decoys//var/tmp/from_scwrl_2042268163_a.pdb.gz for input Trying /var/tmp/from_scwrl_2042268163_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2042268163_a.pdb or /var/tmp/from_scwrl_2042268163_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2042268163.pdb or /var/tmp/from_scwrl_2042268163_b.pdb or /var/tmp/from_scwrl_2042268163_a.pdb Error: no new SCWRL conformation added # naming current conformation Distill_TS2-scwrl # ReadConformPDB reading from PDB file servers/Distill_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation Distill_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_2061826212.pdb -s /var/tmp/to_scwrl_2061826212.seq -o /var/tmp/from_scwrl_2061826212.pdb > /var/tmp/scwrl_2061826212.log Error: Couldn't open file /var/tmp/from_scwrl_2061826212.pdb or /var/tmp/from_scwrl_2061826212.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2061826212_b.pdb or decoys//var/tmp/from_scwrl_2061826212_b.pdb.gz for input Trying /var/tmp/from_scwrl_2061826212_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2061826212_b.pdb or /var/tmp/from_scwrl_2061826212_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2061826212_a.pdb or decoys//var/tmp/from_scwrl_2061826212_a.pdb.gz for input Trying /var/tmp/from_scwrl_2061826212_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2061826212_a.pdb or /var/tmp/from_scwrl_2061826212_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2061826212.pdb or /var/tmp/from_scwrl_2061826212_b.pdb or /var/tmp/from_scwrl_2061826212_a.pdb Error: no new SCWRL conformation added # naming current conformation Distill_TS3-scwrl # ReadConformPDB reading from PDB file servers/Distill_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation Distill_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_345815428.pdb -s /var/tmp/to_scwrl_345815428.seq -o /var/tmp/from_scwrl_345815428.pdb > /var/tmp/scwrl_345815428.log Error: Couldn't open file /var/tmp/from_scwrl_345815428.pdb or /var/tmp/from_scwrl_345815428.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_345815428_b.pdb or decoys//var/tmp/from_scwrl_345815428_b.pdb.gz for input Trying /var/tmp/from_scwrl_345815428_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_345815428_b.pdb or /var/tmp/from_scwrl_345815428_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_345815428_a.pdb or decoys//var/tmp/from_scwrl_345815428_a.pdb.gz for input Trying /var/tmp/from_scwrl_345815428_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_345815428_a.pdb or /var/tmp/from_scwrl_345815428_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_345815428.pdb or /var/tmp/from_scwrl_345815428_b.pdb or /var/tmp/from_scwrl_345815428_a.pdb Error: no new SCWRL conformation added # naming current conformation Distill_TS4-scwrl # ReadConformPDB reading from PDB file servers/Distill_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation Distill_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_62271543.pdb -s /var/tmp/to_scwrl_62271543.seq -o /var/tmp/from_scwrl_62271543.pdb > /var/tmp/scwrl_62271543.log Error: Couldn't open file /var/tmp/from_scwrl_62271543.pdb or /var/tmp/from_scwrl_62271543.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_62271543_b.pdb or decoys//var/tmp/from_scwrl_62271543_b.pdb.gz for input Trying /var/tmp/from_scwrl_62271543_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_62271543_b.pdb or /var/tmp/from_scwrl_62271543_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_62271543_a.pdb or decoys//var/tmp/from_scwrl_62271543_a.pdb.gz for input Trying /var/tmp/from_scwrl_62271543_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_62271543_a.pdb or /var/tmp/from_scwrl_62271543_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_62271543.pdb or /var/tmp/from_scwrl_62271543_b.pdb or /var/tmp/from_scwrl_62271543_a.pdb Error: no new SCWRL conformation added # naming current conformation Distill_TS5-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS1.pdb.gz looking for model 1 # Found a chain break before 161 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_263062785.pdb -s /var/tmp/to_scwrl_263062785.seq -o /var/tmp/from_scwrl_263062785.pdb > /var/tmp/scwrl_263062785.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_263062785.pdb # conformation set from SCWRL output # naming current conformation FAMSD_TS1-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation FAMSD_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1044386525.pdb -s /var/tmp/to_scwrl_1044386525.seq -o /var/tmp/from_scwrl_1044386525.pdb > /var/tmp/scwrl_1044386525.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1044386525.pdb # conformation set from SCWRL output # naming current conformation FAMSD_TS2-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS3.pdb.gz looking for model 1 # Found a chain break before 200 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_79959607.pdb -s /var/tmp/to_scwrl_79959607.seq -o /var/tmp/from_scwrl_79959607.pdb > /var/tmp/scwrl_79959607.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_79959607.pdb # conformation set from SCWRL output # naming current conformation FAMSD_TS3-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS4.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1260538879.pdb -s /var/tmp/to_scwrl_1260538879.seq -o /var/tmp/from_scwrl_1260538879.pdb > /var/tmp/scwrl_1260538879.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1260538879.pdb # conformation set from SCWRL output # naming current conformation FAMSD_TS4-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS5.pdb.gz looking for model 1 # Found a chain break before 215 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_808297202.pdb -s /var/tmp/to_scwrl_808297202.seq -o /var/tmp/from_scwrl_808297202.pdb > /var/tmp/scwrl_808297202.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_808297202.pdb # conformation set from SCWRL output # naming current conformation FAMSD_TS5-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS1.pdb.gz looking for model 1 # Found a chain break before 221 # copying to AlignedFragments data structure # naming current conformation FAMS_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_6425253.pdb -s /var/tmp/to_scwrl_6425253.seq -o /var/tmp/from_scwrl_6425253.pdb > /var/tmp/scwrl_6425253.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_6425253.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS1-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS2.pdb.gz looking for model 1 # Found a chain break before 161 # copying to AlignedFragments data structure # naming current conformation FAMS_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_846257649.pdb -s /var/tmp/to_scwrl_846257649.seq -o /var/tmp/from_scwrl_846257649.pdb > /var/tmp/scwrl_846257649.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_846257649.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS2-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS3.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # naming current conformation FAMS_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1260727978.pdb -s /var/tmp/to_scwrl_1260727978.seq -o /var/tmp/from_scwrl_1260727978.pdb > /var/tmp/scwrl_1260727978.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1260727978.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS3-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS4.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # naming current conformation FAMS_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1269420482.pdb -s /var/tmp/to_scwrl_1269420482.seq -o /var/tmp/from_scwrl_1269420482.pdb > /var/tmp/scwrl_1269420482.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1269420482.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS4-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS5.pdb.gz looking for model 1 # Found a chain break before 217 # copying to AlignedFragments data structure # naming current conformation FAMS_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1310280491.pdb -s /var/tmp/to_scwrl_1310280491.seq -o /var/tmp/from_scwrl_1310280491.pdb > /var/tmp/scwrl_1310280491.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1310280491.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS5-scwrl # ReadConformPDB reading from PDB file servers/FOLDpro_TS1.pdb.gz looking for model 1 # Found a chain break before 207 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_580815891.pdb -s /var/tmp/to_scwrl_580815891.seq -o /var/tmp/from_scwrl_580815891.pdb > /var/tmp/scwrl_580815891.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_580815891.pdb # conformation set from SCWRL output # naming current conformation FOLDpro_TS1-scwrl # ReadConformPDB reading from PDB file servers/FOLDpro_TS2.pdb.gz looking for model 1 # Found a chain break before 216 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1536273339.pdb -s /var/tmp/to_scwrl_1536273339.seq -o /var/tmp/from_scwrl_1536273339.pdb > /var/tmp/scwrl_1536273339.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1536273339.pdb # conformation set from SCWRL output # naming current conformation FOLDpro_TS2-scwrl # ReadConformPDB reading from PDB file servers/FOLDpro_TS3.pdb.gz looking for model 1 # Found a chain break before 215 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1212946816.pdb -s /var/tmp/to_scwrl_1212946816.seq -o /var/tmp/from_scwrl_1212946816.pdb > /var/tmp/scwrl_1212946816.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1212946816.pdb # conformation set from SCWRL output # naming current conformation FOLDpro_TS3-scwrl # ReadConformPDB reading from PDB file servers/FOLDpro_TS4.pdb.gz looking for model 1 # Found a chain break before 221 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_894284442.pdb -s /var/tmp/to_scwrl_894284442.seq -o /var/tmp/from_scwrl_894284442.pdb > /var/tmp/scwrl_894284442.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_894284442.pdb # conformation set from SCWRL output # naming current conformation FOLDpro_TS4-scwrl # ReadConformPDB reading from PDB file servers/FOLDpro_TS5.pdb.gz looking for model 1 # Found a chain break before 176 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_287644906.pdb -s /var/tmp/to_scwrl_287644906.seq -o /var/tmp/from_scwrl_287644906.pdb > /var/tmp/scwrl_287644906.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_287644906.pdb # conformation set from SCWRL output # naming current conformation FOLDpro_TS5-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL1.pdb.gz looking for model 1 Skipped atom 38, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 40, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 42, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 44, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 102, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 104, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 106, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 108, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 210, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 212, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 214, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 216, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 266, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 268, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 270, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 272, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 510, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 512, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 514, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 516, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation FORTE1_AL1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_345182042.pdb -s /var/tmp/to_scwrl_345182042.seq -o /var/tmp/from_scwrl_345182042.pdb > /var/tmp/scwrl_345182042.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_345182042.pdb # conformation set from SCWRL output # naming current conformation FORTE1_AL1-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_649909225.pdb -s /var/tmp/to_scwrl_649909225.seq -o /var/tmp/from_scwrl_649909225.pdb > /var/tmp/scwrl_649909225.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_649909225.pdb # conformation set from SCWRL output # naming current conformation FORTE1_AL2-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation FORTE1_AL3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1907572195.pdb -s /var/tmp/to_scwrl_1907572195.seq -o /var/tmp/from_scwrl_1907572195.pdb > /var/tmp/scwrl_1907572195.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1907572195.pdb # conformation set from SCWRL output # naming current conformation FORTE1_AL3-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL4.pdb.gz looking for model 1 Skipped atom 830, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 832, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 834, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 836, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 838, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 840, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 842, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 844, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 846, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 848, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 850, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 852, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 854, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 856, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 858, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 860, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 862, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 864, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 866, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 868, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 870, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 872, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 874, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 876, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1395360856.pdb -s /var/tmp/to_scwrl_1395360856.seq -o /var/tmp/from_scwrl_1395360856.pdb > /var/tmp/scwrl_1395360856.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1395360856.pdb # conformation set from SCWRL output # naming current conformation FORTE1_AL4-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation FORTE1_AL5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1249653319.pdb -s /var/tmp/to_scwrl_1249653319.seq -o /var/tmp/from_scwrl_1249653319.pdb > /var/tmp/scwrl_1249653319.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1249653319.pdb # conformation set from SCWRL output # naming current conformation FORTE1_AL5-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL1.pdb.gz looking for model 1 Skipped atom 38, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 40, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 42, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 44, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 102, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 104, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 106, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 108, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 210, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 212, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 214, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 216, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 266, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 268, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 270, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 272, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 510, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 512, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 514, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 516, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation FORTE2_AL1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_27021645.pdb -s /var/tmp/to_scwrl_27021645.seq -o /var/tmp/from_scwrl_27021645.pdb > /var/tmp/scwrl_27021645.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_27021645.pdb # conformation set from SCWRL output # naming current conformation FORTE2_AL1-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation FORTE2_AL2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_523036100.pdb -s /var/tmp/to_scwrl_523036100.seq -o /var/tmp/from_scwrl_523036100.pdb > /var/tmp/scwrl_523036100.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_523036100.pdb # conformation set from SCWRL output # naming current conformation FORTE2_AL2-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE2_AL3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_978618697.pdb -s /var/tmp/to_scwrl_978618697.seq -o /var/tmp/from_scwrl_978618697.pdb > /var/tmp/scwrl_978618697.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_978618697.pdb # conformation set from SCWRL output # naming current conformation FORTE2_AL3-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL4.pdb.gz looking for model 1 Skipped atom 830, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 832, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 834, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 836, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 838, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 840, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 842, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 844, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 846, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 848, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 850, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 852, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 854, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 856, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 858, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 860, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 862, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 864, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 866, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 868, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 870, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 872, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 874, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 876, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE2_AL4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_75949309.pdb -s /var/tmp/to_scwrl_75949309.seq -o /var/tmp/from_scwrl_75949309.pdb > /var/tmp/scwrl_75949309.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_75949309.pdb # conformation set from SCWRL output # naming current conformation FORTE2_AL4-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation FORTE2_AL5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_584524162.pdb -s /var/tmp/to_scwrl_584524162.seq -o /var/tmp/from_scwrl_584524162.pdb > /var/tmp/scwrl_584524162.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_584524162.pdb # conformation set from SCWRL output # naming current conformation FORTE2_AL5-scwrl # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS1.pdb.gz looking for model 1 # Found a chain break before 219 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1997862172.pdb -s /var/tmp/to_scwrl_1997862172.seq -o /var/tmp/from_scwrl_1997862172.pdb > /var/tmp/scwrl_1997862172.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1997862172.pdb # conformation set from SCWRL output # naming current conformation FPSOLVER-SERVER_TS1-scwrl # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS2.pdb.gz looking for model 1 # Found a chain break before 214 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1142640019.pdb -s /var/tmp/to_scwrl_1142640019.seq -o /var/tmp/from_scwrl_1142640019.pdb > /var/tmp/scwrl_1142640019.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1142640019.pdb # conformation set from SCWRL output # naming current conformation FPSOLVER-SERVER_TS2-scwrl # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS3.pdb.gz looking for model 1 # Found a chain break before 222 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_479308678.pdb -s /var/tmp/to_scwrl_479308678.seq -o /var/tmp/from_scwrl_479308678.pdb > /var/tmp/scwrl_479308678.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_479308678.pdb # conformation set from SCWRL output # naming current conformation FPSOLVER-SERVER_TS3-scwrl # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS4.pdb.gz looking for model 1 # Found a chain break before 217 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1912204738.pdb -s /var/tmp/to_scwrl_1912204738.seq -o /var/tmp/from_scwrl_1912204738.pdb > /var/tmp/scwrl_1912204738.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1912204738.pdb # conformation set from SCWRL output # naming current conformation FPSOLVER-SERVER_TS4-scwrl # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS5.pdb.gz looking for model 1 # Found a chain break before 210 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1488455447.pdb -s /var/tmp/to_scwrl_1488455447.seq -o /var/tmp/from_scwrl_1488455447.pdb > /var/tmp/scwrl_1488455447.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1488455447.pdb # conformation set from SCWRL output # naming current conformation FPSOLVER-SERVER_TS5-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_541580221.pdb -s /var/tmp/to_scwrl_541580221.seq -o /var/tmp/from_scwrl_541580221.pdb > /var/tmp/scwrl_541580221.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_541580221.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS1-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_27783876.pdb -s /var/tmp/to_scwrl_27783876.seq -o /var/tmp/from_scwrl_27783876.pdb > /var/tmp/scwrl_27783876.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_27783876.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS2-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_385358325.pdb -s /var/tmp/to_scwrl_385358325.seq -o /var/tmp/from_scwrl_385358325.pdb > /var/tmp/scwrl_385358325.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_385358325.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS3-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_621539828.pdb -s /var/tmp/to_scwrl_621539828.seq -o /var/tmp/from_scwrl_621539828.pdb > /var/tmp/scwrl_621539828.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_621539828.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS4-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1288322756.pdb -s /var/tmp/to_scwrl_1288322756.seq -o /var/tmp/from_scwrl_1288322756.pdb > /var/tmp/scwrl_1288322756.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1288322756.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS5-scwrl # ReadConformPDB reading from PDB file servers/FUGUE_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation FUGUE_AL1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1193655526.pdb -s /var/tmp/to_scwrl_1193655526.seq -o /var/tmp/from_scwrl_1193655526.pdb > /var/tmp/scwrl_1193655526.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1193655526.pdb # conformation set from SCWRL output # naming current conformation FUGUE_AL1-scwrl # ReadConformPDB reading from PDB file servers/FUGUE_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_627965082.pdb -s /var/tmp/to_scwrl_627965082.seq -o /var/tmp/from_scwrl_627965082.pdb > /var/tmp/scwrl_627965082.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_627965082.pdb # conformation set from SCWRL output # naming current conformation FUGUE_AL2-scwrl # ReadConformPDB reading from PDB file servers/FUGUE_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation FUGUE_AL3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_2134580405.pdb -s /var/tmp/to_scwrl_2134580405.seq -o /var/tmp/from_scwrl_2134580405.pdb > /var/tmp/scwrl_2134580405.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2134580405.pdb # conformation set from SCWRL output # naming current conformation FUGUE_AL3-scwrl # ReadConformPDB reading from PDB file servers/FUGUE_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation FUGUE_AL4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_306899858.pdb -s /var/tmp/to_scwrl_306899858.seq -o /var/tmp/from_scwrl_306899858.pdb > /var/tmp/scwrl_306899858.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_306899858.pdb # conformation set from SCWRL output # naming current conformation FUGUE_AL4-scwrl # ReadConformPDB reading from PDB file servers/FUGUE_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation FUGUE_AL5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1897385564.pdb -s /var/tmp/to_scwrl_1897385564.seq -o /var/tmp/from_scwrl_1897385564.pdb > /var/tmp/scwrl_1897385564.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1897385564.pdb # conformation set from SCWRL output # naming current conformation FUGUE_AL5-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS1.pdb.gz looking for model 1 # Found a chain break before 223 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1297377249.pdb -s /var/tmp/to_scwrl_1297377249.seq -o /var/tmp/from_scwrl_1297377249.pdb > /var/tmp/scwrl_1297377249.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1297377249.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS1-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS2.pdb.gz looking for model 1 # Found a chain break before 217 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_887715750.pdb -s /var/tmp/to_scwrl_887715750.seq -o /var/tmp/from_scwrl_887715750.pdb > /var/tmp/scwrl_887715750.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_887715750.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS2-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS3.pdb.gz looking for model 1 # Found a chain break before 217 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1286175256.pdb -s /var/tmp/to_scwrl_1286175256.seq -o /var/tmp/from_scwrl_1286175256.pdb > /var/tmp/scwrl_1286175256.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1286175256.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS3-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS4.pdb.gz looking for model 1 # Found a chain break before 218 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_362840420.pdb -s /var/tmp/to_scwrl_362840420.seq -o /var/tmp/from_scwrl_362840420.pdb > /var/tmp/scwrl_362840420.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_362840420.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS4-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS5.pdb.gz looking for model 1 # Found a chain break before 223 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1782000191.pdb -s /var/tmp/to_scwrl_1782000191.seq -o /var/tmp/from_scwrl_1782000191.pdb > /var/tmp/scwrl_1782000191.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1782000191.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS5-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS1.pdb.gz looking for model 1 # Found a chain break before 212 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1573820163.pdb -s /var/tmp/to_scwrl_1573820163.seq -o /var/tmp/from_scwrl_1573820163.pdb > /var/tmp/scwrl_1573820163.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1573820163.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS1-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS2.pdb.gz looking for model 1 # Found a chain break before 217 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_708022462.pdb -s /var/tmp/to_scwrl_708022462.seq -o /var/tmp/from_scwrl_708022462.pdb > /var/tmp/scwrl_708022462.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_708022462.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS2-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS3.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_284425769.pdb -s /var/tmp/to_scwrl_284425769.seq -o /var/tmp/from_scwrl_284425769.pdb > /var/tmp/scwrl_284425769.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_284425769.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS3-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS4.pdb.gz looking for model 1 # Found a chain break before 199 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1333908711.pdb -s /var/tmp/to_scwrl_1333908711.seq -o /var/tmp/from_scwrl_1333908711.pdb > /var/tmp/scwrl_1333908711.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1333908711.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS4-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS5.pdb.gz looking for model 1 # Found a chain break before 169 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_2103383318.pdb -s /var/tmp/to_scwrl_2103383318.seq -o /var/tmp/from_scwrl_2103383318.pdb > /var/tmp/scwrl_2103383318.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2103383318.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS5-scwrl # ReadConformPDB reading from PDB file servers/HHpred1_TS1.pdb.gz looking for model 1 # Found a chain break before 175 # copying to AlignedFragments data structure # naming current conformation HHpred1_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1534079088.pdb -s /var/tmp/to_scwrl_1534079088.seq -o /var/tmp/from_scwrl_1534079088.pdb > /var/tmp/scwrl_1534079088.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1534079088.pdb # conformation set from SCWRL output # naming current conformation HHpred1_TS1-scwrl # ReadConformPDB reading from PDB file servers/HHpred2_TS1.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # naming current conformation HHpred2_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1360930356.pdb -s /var/tmp/to_scwrl_1360930356.seq -o /var/tmp/from_scwrl_1360930356.pdb > /var/tmp/scwrl_1360930356.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1360930356.pdb # conformation set from SCWRL output # naming current conformation HHpred2_TS1-scwrl # ReadConformPDB reading from PDB file servers/HHpred3_TS1.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # naming current conformation HHpred3_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_478935771.pdb -s /var/tmp/to_scwrl_478935771.seq -o /var/tmp/from_scwrl_478935771.pdb > /var/tmp/scwrl_478935771.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_478935771.pdb # conformation set from SCWRL output # naming current conformation HHpred3_TS1-scwrl # ReadConformPDB reading from PDB file servers/Huber-Torda-Server_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_365214138.pdb -s /var/tmp/to_scwrl_365214138.seq -o /var/tmp/from_scwrl_365214138.pdb > /var/tmp/scwrl_365214138.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_365214138.pdb # conformation set from SCWRL output # naming current conformation Huber-Torda-Server_TS1-scwrl # ReadConformPDB reading from PDB file servers/Huber-Torda-Server_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1436879666.pdb -s /var/tmp/to_scwrl_1436879666.seq -o /var/tmp/from_scwrl_1436879666.pdb > /var/tmp/scwrl_1436879666.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1436879666.pdb # conformation set from SCWRL output # naming current conformation Huber-Torda-Server_TS2-scwrl # ReadConformPDB reading from PDB file servers/Huber-Torda-Server_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1063459933.pdb -s /var/tmp/to_scwrl_1063459933.seq -o /var/tmp/from_scwrl_1063459933.pdb > /var/tmp/scwrl_1063459933.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1063459933.pdb # conformation set from SCWRL output # naming current conformation Huber-Torda-Server_TS3-scwrl # ReadConformPDB reading from PDB file servers/Huber-Torda-Server_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_215592664.pdb -s /var/tmp/to_scwrl_215592664.seq -o /var/tmp/from_scwrl_215592664.pdb > /var/tmp/scwrl_215592664.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_215592664.pdb # conformation set from SCWRL output # naming current conformation Huber-Torda-Server_TS4-scwrl # ReadConformPDB reading from PDB file servers/Huber-Torda-Server_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_432036039.pdb -s /var/tmp/to_scwrl_432036039.seq -o /var/tmp/from_scwrl_432036039.pdb > /var/tmp/scwrl_432036039.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_432036039.pdb # conformation set from SCWRL output # naming current conformation Huber-Torda-Server_TS5-scwrl # ReadConformPDB reading from PDB file servers/LOOPP_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation LOOPP_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1542768610.pdb -s /var/tmp/to_scwrl_1542768610.seq -o /var/tmp/from_scwrl_1542768610.pdb > /var/tmp/scwrl_1542768610.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1542768610.pdb # conformation set from SCWRL output # naming current conformation LOOPP_TS1-scwrl # ReadConformPDB reading from PDB file servers/LOOPP_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation LOOPP_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_2127797402.pdb -s /var/tmp/to_scwrl_2127797402.seq -o /var/tmp/from_scwrl_2127797402.pdb > /var/tmp/scwrl_2127797402.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2127797402.pdb # conformation set from SCWRL output # naming current conformation LOOPP_TS2-scwrl # ReadConformPDB reading from PDB file servers/LOOPP_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation LOOPP_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1920491486.pdb -s /var/tmp/to_scwrl_1920491486.seq -o /var/tmp/from_scwrl_1920491486.pdb > /var/tmp/scwrl_1920491486.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1920491486.pdb # conformation set from SCWRL output # naming current conformation LOOPP_TS3-scwrl # ReadConformPDB reading from PDB file servers/LOOPP_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation LOOPP_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_2084348832.pdb -s /var/tmp/to_scwrl_2084348832.seq -o /var/tmp/from_scwrl_2084348832.pdb > /var/tmp/scwrl_2084348832.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2084348832.pdb # conformation set from SCWRL output # naming current conformation LOOPP_TS4-scwrl # ReadConformPDB reading from PDB file servers/LOOPP_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation LOOPP_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_8097631.pdb -s /var/tmp/to_scwrl_8097631.seq -o /var/tmp/from_scwrl_8097631.pdb > /var/tmp/scwrl_8097631.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_8097631.pdb # conformation set from SCWRL output # naming current conformation LOOPP_TS5-scwrl # ReadConformPDB reading from PDB file servers/MIG_FROST_AL1.pdb.gz looking for model 1 Skipped atom 26, because occupancy 1.000 <= existing 1.000 in servers/MIG_FROST_AL1.pdb.gz Skipped atom 28, because occupancy 1.000 <= existing 1.000 in servers/MIG_FROST_AL1.pdb.gz Skipped atom 30, because occupancy 1.000 <= existing 1.000 in servers/MIG_FROST_AL1.pdb.gz Skipped atom 32, because occupancy 1.000 <= existing 1.000 in servers/MIG_FROST_AL1.pdb.gz Skipped atom 66, because occupancy 1.000 <= existing 1.000 in servers/MIG_FROST_AL1.pdb.gz Skipped atom 68, because occupancy 1.000 <= existing 1.000 in servers/MIG_FROST_AL1.pdb.gz Skipped atom 70, because occupancy 1.000 <= existing 1.000 in servers/MIG_FROST_AL1.pdb.gz Skipped atom 72, because occupancy 1.000 <= existing 1.000 in servers/MIG_FROST_AL1.pdb.gz Skipped atom 126, because occupancy 1.000 <= existing 1.000 in servers/MIG_FROST_AL1.pdb.gz Skipped atom 128, because occupancy 1.000 <= existing 1.000 in servers/MIG_FROST_AL1.pdb.gz Skipped atom 130, because occupancy 1.000 <= existing 1.000 in servers/MIG_FROST_AL1.pdb.gz Skipped atom 132, because occupancy 1.000 <= existing 1.000 in servers/MIG_FROST_AL1.pdb.gz Skipped atom 290, because occupancy 1.000 <= existing 1.000 in servers/MIG_FROST_AL1.pdb.gz Skipped atom 292, because occupancy 1.000 <= existing 1.000 in servers/MIG_FROST_AL1.pdb.gz Skipped atom 294, because occupancy 1.000 <= existing 1.000 in servers/MIG_FROST_AL1.pdb.gz Skipped atom 296, because occupancy 1.000 <= existing 1.000 in servers/MIG_FROST_AL1.pdb.gz # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation MIG_FROST_AL1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_158366164.pdb -s /var/tmp/to_scwrl_158366164.seq -o /var/tmp/from_scwrl_158366164.pdb > /var/tmp/scwrl_158366164.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_158366164.pdb # conformation set from SCWRL output # naming current conformation MIG_FROST_AL1-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS1.pdb.gz looking for model 1 # Found a chain break before 215 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_558405013.pdb -s /var/tmp/to_scwrl_558405013.seq -o /var/tmp/from_scwrl_558405013.pdb > /var/tmp/scwrl_558405013.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_558405013.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server_TS1-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS2.pdb.gz looking for model 1 # Found a chain break before 143 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1296420387.pdb -s /var/tmp/to_scwrl_1296420387.seq -o /var/tmp/from_scwrl_1296420387.pdb > /var/tmp/scwrl_1296420387.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1296420387.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server_TS2-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS3.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1352021690.pdb -s /var/tmp/to_scwrl_1352021690.seq -o /var/tmp/from_scwrl_1352021690.pdb > /var/tmp/scwrl_1352021690.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1352021690.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server_TS3-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS4.pdb.gz looking for model 1 # Found a chain break before 176 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1186370094.pdb -s /var/tmp/to_scwrl_1186370094.seq -o /var/tmp/from_scwrl_1186370094.pdb > /var/tmp/scwrl_1186370094.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1186370094.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server_TS4-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS5.pdb.gz looking for model 1 # Found a chain break before 199 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1283517145.pdb -s /var/tmp/to_scwrl_1283517145.seq -o /var/tmp/from_scwrl_1283517145.pdb > /var/tmp/scwrl_1283517145.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1283517145.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server_TS5-scwrl # ReadConformPDB reading from PDB file servers/MetaTasser_TS1.pdb.gz looking for model 1 # Found a chain break before 210 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1658921549.pdb -s /var/tmp/to_scwrl_1658921549.seq -o /var/tmp/from_scwrl_1658921549.pdb > /var/tmp/scwrl_1658921549.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1658921549.pdb # conformation set from SCWRL output # naming current conformation MetaTasser_TS1-scwrl # ReadConformPDB reading from PDB file servers/MetaTasser_TS2.pdb.gz looking for model 1 # Found a chain break before 211 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_936272013.pdb -s /var/tmp/to_scwrl_936272013.seq -o /var/tmp/from_scwrl_936272013.pdb > /var/tmp/scwrl_936272013.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_936272013.pdb # conformation set from SCWRL output # naming current conformation MetaTasser_TS2-scwrl # ReadConformPDB reading from PDB file servers/MetaTasser_TS3.pdb.gz looking for model 1 # Found a chain break before 222 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_433410749.pdb -s /var/tmp/to_scwrl_433410749.seq -o /var/tmp/from_scwrl_433410749.pdb > /var/tmp/scwrl_433410749.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_433410749.pdb # conformation set from SCWRL output # naming current conformation MetaTasser_TS3-scwrl # ReadConformPDB reading from PDB file servers/MetaTasser_TS4.pdb.gz looking for model 1 # Found a chain break before 223 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_399153652.pdb -s /var/tmp/to_scwrl_399153652.seq -o /var/tmp/from_scwrl_399153652.pdb > /var/tmp/scwrl_399153652.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_399153652.pdb # conformation set from SCWRL output # naming current conformation MetaTasser_TS4-scwrl # ReadConformPDB reading from PDB file servers/MetaTasser_TS5.pdb.gz looking for model 1 # Found a chain break before 212 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_74963622.pdb -s /var/tmp/to_scwrl_74963622.seq -o /var/tmp/from_scwrl_74963622.pdb > /var/tmp/scwrl_74963622.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_74963622.pdb # conformation set from SCWRL output # naming current conformation MetaTasser_TS5-scwrl # ReadConformPDB reading from PDB file servers/NN_PUT_lab_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation NN_PUT_lab_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_796251169.pdb -s /var/tmp/to_scwrl_796251169.seq -o /var/tmp/from_scwrl_796251169.pdb > /var/tmp/scwrl_796251169.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_796251169.pdb # conformation set from SCWRL output # naming current conformation NN_PUT_lab_TS1-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS1.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_33670196.pdb -s /var/tmp/to_scwrl_33670196.seq -o /var/tmp/from_scwrl_33670196.pdb > /var/tmp/scwrl_33670196.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_33670196.pdb # conformation set from SCWRL output # naming current conformation PROTINFO-AB_TS1-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS2.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1648783785.pdb -s /var/tmp/to_scwrl_1648783785.seq -o /var/tmp/from_scwrl_1648783785.pdb > /var/tmp/scwrl_1648783785.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1648783785.pdb # conformation set from SCWRL output # naming current conformation PROTINFO-AB_TS2-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS3.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1504273630.pdb -s /var/tmp/to_scwrl_1504273630.seq -o /var/tmp/from_scwrl_1504273630.pdb > /var/tmp/scwrl_1504273630.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1504273630.pdb # conformation set from SCWRL output # naming current conformation PROTINFO-AB_TS3-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS4.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_318095965.pdb -s /var/tmp/to_scwrl_318095965.seq -o /var/tmp/from_scwrl_318095965.pdb > /var/tmp/scwrl_318095965.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_318095965.pdb # conformation set from SCWRL output # naming current conformation PROTINFO-AB_TS4-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS5.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_835208850.pdb -s /var/tmp/to_scwrl_835208850.seq -o /var/tmp/from_scwrl_835208850.pdb > /var/tmp/scwrl_835208850.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_835208850.pdb # conformation set from SCWRL output # naming current conformation PROTINFO-AB_TS5-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS1.pdb.gz looking for model 1 # Found a chain break before 208 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1460173301.pdb -s /var/tmp/to_scwrl_1460173301.seq -o /var/tmp/from_scwrl_1460173301.pdb > /var/tmp/scwrl_1460173301.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1460173301.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS1-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS2.pdb.gz looking for model 1 # Found a chain break before 191 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1852175053.pdb -s /var/tmp/to_scwrl_1852175053.seq -o /var/tmp/from_scwrl_1852175053.pdb > /var/tmp/scwrl_1852175053.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1852175053.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS2-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS3.pdb.gz looking for model 1 # Found a chain break before 218 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_48655560.pdb -s /var/tmp/to_scwrl_48655560.seq -o /var/tmp/from_scwrl_48655560.pdb > /var/tmp/scwrl_48655560.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_48655560.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS3-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS4.pdb.gz looking for model 1 # naming current conformation PROTINFO_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1939109072.pdb -s /var/tmp/to_scwrl_1939109072.seq -o /var/tmp/from_scwrl_1939109072.pdb > /var/tmp/scwrl_1939109072.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1939109072.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS4-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS5.pdb.gz looking for model 1 # Found a chain break before 207 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_69905545.pdb -s /var/tmp/to_scwrl_69905545.seq -o /var/tmp/from_scwrl_69905545.pdb > /var/tmp/scwrl_69905545.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_69905545.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS5-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Pcons6_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1485535226.pdb -s /var/tmp/to_scwrl_1485535226.seq -o /var/tmp/from_scwrl_1485535226.pdb > /var/tmp/scwrl_1485535226.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1485535226.pdb # conformation set from SCWRL output # naming current conformation Pcons6_TS1-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Pcons6_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_855085359.pdb -s /var/tmp/to_scwrl_855085359.seq -o /var/tmp/from_scwrl_855085359.pdb > /var/tmp/scwrl_855085359.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_855085359.pdb # conformation set from SCWRL output # naming current conformation Pcons6_TS2-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Pcons6_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_285498209.pdb -s /var/tmp/to_scwrl_285498209.seq -o /var/tmp/from_scwrl_285498209.pdb > /var/tmp/scwrl_285498209.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_285498209.pdb # conformation set from SCWRL output # naming current conformation Pcons6_TS3-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Pcons6_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1917571265.pdb -s /var/tmp/to_scwrl_1917571265.seq -o /var/tmp/from_scwrl_1917571265.pdb > /var/tmp/scwrl_1917571265.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1917571265.pdb # conformation set from SCWRL output # naming current conformation Pcons6_TS4-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Pcons6_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_250370322.pdb -s /var/tmp/to_scwrl_250370322.seq -o /var/tmp/from_scwrl_250370322.pdb > /var/tmp/scwrl_250370322.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_250370322.pdb # conformation set from SCWRL output # naming current conformation Pcons6_TS5-scwrl # ReadConformPDB reading from PDB file servers/Phyre-1_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-1_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_265811964.pdb -s /var/tmp/to_scwrl_265811964.seq -o /var/tmp/from_scwrl_265811964.pdb > /var/tmp/scwrl_265811964.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_265811964.pdb # conformation set from SCWRL output # naming current conformation Phyre-1_TS1-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS1.pdb.gz looking for model 1 # Found a chain break before 201 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1690579104.pdb -s /var/tmp/to_scwrl_1690579104.seq -o /var/tmp/from_scwrl_1690579104.pdb > /var/tmp/scwrl_1690579104.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1690579104.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS1-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS2.pdb.gz looking for model 1 # Found a chain break before 200 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_187235507.pdb -s /var/tmp/to_scwrl_187235507.seq -o /var/tmp/from_scwrl_187235507.pdb > /var/tmp/scwrl_187235507.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_187235507.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS2-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS3.pdb.gz looking for model 1 # Found a chain break before 200 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_273909595.pdb -s /var/tmp/to_scwrl_273909595.seq -o /var/tmp/from_scwrl_273909595.pdb > /var/tmp/scwrl_273909595.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_273909595.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS3-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS4.pdb.gz looking for model 1 # Found a chain break before 200 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1848945268.pdb -s /var/tmp/to_scwrl_1848945268.seq -o /var/tmp/from_scwrl_1848945268.pdb > /var/tmp/scwrl_1848945268.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1848945268.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS4-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_745640521.pdb -s /var/tmp/to_scwrl_745640521.seq -o /var/tmp/from_scwrl_745640521.pdb > /var/tmp/scwrl_745640521.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_745640521.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS5-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS1.pdb.gz looking for model 1 # Found a chain break before 150 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1570329983.pdb -s /var/tmp/to_scwrl_1570329983.seq -o /var/tmp/from_scwrl_1570329983.pdb > /var/tmp/scwrl_1570329983.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1570329983.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS1-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1053483312.pdb -s /var/tmp/to_scwrl_1053483312.seq -o /var/tmp/from_scwrl_1053483312.pdb > /var/tmp/scwrl_1053483312.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1053483312.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS2-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1932010615.pdb -s /var/tmp/to_scwrl_1932010615.seq -o /var/tmp/from_scwrl_1932010615.pdb > /var/tmp/scwrl_1932010615.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1932010615.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS3-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_706363482.pdb -s /var/tmp/to_scwrl_706363482.seq -o /var/tmp/from_scwrl_706363482.pdb > /var/tmp/scwrl_706363482.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_706363482.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS4-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS5.pdb.gz looking for model 1 # Found a chain break before 152 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_564921214.pdb -s /var/tmp/to_scwrl_564921214.seq -o /var/tmp/from_scwrl_564921214.pdb > /var/tmp/scwrl_564921214.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_564921214.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS5-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_720798981.pdb -s /var/tmp/to_scwrl_720798981.seq -o /var/tmp/from_scwrl_720798981.pdb > /var/tmp/scwrl_720798981.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_720798981.pdb # conformation set from SCWRL output # naming current conformation RAPTOR-ACE_TS1-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS2.pdb.gz looking for model 1 # Found a chain break before 212 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1139774230.pdb -s /var/tmp/to_scwrl_1139774230.seq -o /var/tmp/from_scwrl_1139774230.pdb > /var/tmp/scwrl_1139774230.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1139774230.pdb # conformation set from SCWRL output # naming current conformation RAPTOR-ACE_TS2-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS3.pdb.gz looking for model 1 # Found a chain break before 197 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_964074866.pdb -s /var/tmp/to_scwrl_964074866.seq -o /var/tmp/from_scwrl_964074866.pdb > /var/tmp/scwrl_964074866.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_964074866.pdb # conformation set from SCWRL output # naming current conformation RAPTOR-ACE_TS3-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_795762604.pdb -s /var/tmp/to_scwrl_795762604.seq -o /var/tmp/from_scwrl_795762604.pdb > /var/tmp/scwrl_795762604.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_795762604.pdb # conformation set from SCWRL output # naming current conformation RAPTOR-ACE_TS4-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS5.pdb.gz looking for model 1 # Found a chain break before 208 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1936025399.pdb -s /var/tmp/to_scwrl_1936025399.seq -o /var/tmp/from_scwrl_1936025399.pdb > /var/tmp/scwrl_1936025399.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1936025399.pdb # conformation set from SCWRL output # naming current conformation RAPTOR-ACE_TS5-scwrl # ReadConformPDB reading from PDB file servers/RAPTORESS_TS1.pdb.gz looking for model 1 # Found a chain break before 202 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_997745062.pdb -s /var/tmp/to_scwrl_997745062.seq -o /var/tmp/from_scwrl_997745062.pdb > /var/tmp/scwrl_997745062.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_997745062.pdb # conformation set from SCWRL output # naming current conformation RAPTORESS_TS1-scwrl # ReadConformPDB reading from PDB file servers/RAPTORESS_TS2.pdb.gz looking for model 1 # Found a chain break before 208 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_297062742.pdb -s /var/tmp/to_scwrl_297062742.seq -o /var/tmp/from_scwrl_297062742.pdb > /var/tmp/scwrl_297062742.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_297062742.pdb # conformation set from SCWRL output # naming current conformation RAPTORESS_TS2-scwrl # ReadConformPDB reading from PDB file servers/RAPTORESS_TS3.pdb.gz looking for model 1 # Found a chain break before 215 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1292815382.pdb -s /var/tmp/to_scwrl_1292815382.seq -o /var/tmp/from_scwrl_1292815382.pdb > /var/tmp/scwrl_1292815382.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1292815382.pdb # conformation set from SCWRL output # naming current conformation RAPTORESS_TS3-scwrl # ReadConformPDB reading from PDB file servers/RAPTORESS_TS4.pdb.gz looking for model 1 # Found a chain break before 218 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1315841026.pdb -s /var/tmp/to_scwrl_1315841026.seq -o /var/tmp/from_scwrl_1315841026.pdb > /var/tmp/scwrl_1315841026.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1315841026.pdb # conformation set from SCWRL output # naming current conformation RAPTORESS_TS4-scwrl # ReadConformPDB reading from PDB file servers/RAPTORESS_TS5.pdb.gz looking for model 1 # Found a chain break before 203 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1132271592.pdb -s /var/tmp/to_scwrl_1132271592.seq -o /var/tmp/from_scwrl_1132271592.pdb > /var/tmp/scwrl_1132271592.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1132271592.pdb # conformation set from SCWRL output # naming current conformation RAPTORESS_TS5-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR_TS1.pdb.gz looking for model 1 # Found a chain break before 217 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_605505037.pdb -s /var/tmp/to_scwrl_605505037.seq -o /var/tmp/from_scwrl_605505037.pdb > /var/tmp/scwrl_605505037.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_605505037.pdb # conformation set from SCWRL output # naming current conformation RAPTOR_TS1-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR_TS2.pdb.gz looking for model 1 # Found a chain break before 212 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1020532434.pdb -s /var/tmp/to_scwrl_1020532434.seq -o /var/tmp/from_scwrl_1020532434.pdb > /var/tmp/scwrl_1020532434.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1020532434.pdb # conformation set from SCWRL output # naming current conformation RAPTOR_TS2-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR_TS3.pdb.gz looking for model 1 # Found a chain break before 212 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1180927152.pdb -s /var/tmp/to_scwrl_1180927152.seq -o /var/tmp/from_scwrl_1180927152.pdb > /var/tmp/scwrl_1180927152.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1180927152.pdb # conformation set from SCWRL output # naming current conformation RAPTOR_TS3-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR_TS4.pdb.gz looking for model 1 # Found a chain break before 215 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_397130463.pdb -s /var/tmp/to_scwrl_397130463.seq -o /var/tmp/from_scwrl_397130463.pdb > /var/tmp/scwrl_397130463.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_397130463.pdb # conformation set from SCWRL output # naming current conformation RAPTOR_TS4-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR_TS5.pdb.gz looking for model 1 # Found a chain break before 217 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1090437978.pdb -s /var/tmp/to_scwrl_1090437978.seq -o /var/tmp/from_scwrl_1090437978.pdb > /var/tmp/scwrl_1090437978.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1090437978.pdb # conformation set from SCWRL output # naming current conformation RAPTOR_TS5-scwrl # ReadConformPDB reading from PDB file servers/ROBETTA_TS1.pdb.gz looking for model 1 # Found a chain break before 154 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_518978732.pdb -s /var/tmp/to_scwrl_518978732.seq -o /var/tmp/from_scwrl_518978732.pdb > /var/tmp/scwrl_518978732.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_518978732.pdb # conformation set from SCWRL output # naming current conformation ROBETTA_TS1-scwrl # ReadConformPDB reading from PDB file servers/ROBETTA_TS2.pdb.gz looking for model 1 # Found a chain break before 197 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1252215821.pdb -s /var/tmp/to_scwrl_1252215821.seq -o /var/tmp/from_scwrl_1252215821.pdb > /var/tmp/scwrl_1252215821.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1252215821.pdb # conformation set from SCWRL output # naming current conformation ROBETTA_TS2-scwrl # ReadConformPDB reading from PDB file servers/ROBETTA_TS3.pdb.gz looking for model 1 # Found a chain break before 150 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1375936187.pdb -s /var/tmp/to_scwrl_1375936187.seq -o /var/tmp/from_scwrl_1375936187.pdb > /var/tmp/scwrl_1375936187.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1375936187.pdb # conformation set from SCWRL output # naming current conformation ROBETTA_TS3-scwrl # ReadConformPDB reading from PDB file servers/ROBETTA_TS4.pdb.gz looking for model 1 # Found a chain break before 152 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_289066350.pdb -s /var/tmp/to_scwrl_289066350.seq -o /var/tmp/from_scwrl_289066350.pdb > /var/tmp/scwrl_289066350.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_289066350.pdb # conformation set from SCWRL output # naming current conformation ROBETTA_TS4-scwrl # ReadConformPDB reading from PDB file servers/ROBETTA_TS5.pdb.gz looking for model 1 # Found a chain break before 151 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1502586143.pdb -s /var/tmp/to_scwrl_1502586143.seq -o /var/tmp/from_scwrl_1502586143.pdb > /var/tmp/scwrl_1502586143.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1502586143.pdb # conformation set from SCWRL output # naming current conformation ROBETTA_TS5-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS1.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1641748151.pdb -s /var/tmp/to_scwrl_1641748151.seq -o /var/tmp/from_scwrl_1641748151.pdb > /var/tmp/scwrl_1641748151.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1641748151.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS1-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS2.pdb.gz looking for model 1 # Found a chain break before 207 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1979645454.pdb -s /var/tmp/to_scwrl_1979645454.seq -o /var/tmp/from_scwrl_1979645454.pdb > /var/tmp/scwrl_1979645454.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1979645454.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS2-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS3.pdb.gz looking for model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1689821651.pdb -s /var/tmp/to_scwrl_1689821651.seq -o /var/tmp/from_scwrl_1689821651.pdb > /var/tmp/scwrl_1689821651.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1689821651.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS3-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS4.pdb.gz looking for model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1915657746.pdb -s /var/tmp/to_scwrl_1915657746.seq -o /var/tmp/from_scwrl_1915657746.pdb > /var/tmp/scwrl_1915657746.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1915657746.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS4-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS5.pdb.gz looking for model 1 # Found a chain break before 202 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1681107075.pdb -s /var/tmp/to_scwrl_1681107075.seq -o /var/tmp/from_scwrl_1681107075.pdb > /var/tmp/scwrl_1681107075.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1681107075.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS5-scwrl # ReadConformPDB reading from PDB file servers/SAM-T02_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_287978525.pdb -s /var/tmp/to_scwrl_287978525.seq -o /var/tmp/from_scwrl_287978525.pdb > /var/tmp/scwrl_287978525.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_287978525.pdb # conformation set from SCWRL output # naming current conformation SAM-T02_AL1-scwrl # ReadConformPDB reading from PDB file servers/SAM-T02_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1338504082.pdb -s /var/tmp/to_scwrl_1338504082.seq -o /var/tmp/from_scwrl_1338504082.pdb > /var/tmp/scwrl_1338504082.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1338504082.pdb # conformation set from SCWRL output # naming current conformation SAM-T02_AL2-scwrl # ReadConformPDB reading from PDB file servers/SAM-T02_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_587106740.pdb -s /var/tmp/to_scwrl_587106740.seq -o /var/tmp/from_scwrl_587106740.pdb > /var/tmp/scwrl_587106740.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_587106740.pdb # conformation set from SCWRL output # naming current conformation SAM-T02_AL3-scwrl # ReadConformPDB reading from PDB file servers/SAM-T02_AL4.pdb.gz looking for model 1 Skipped atom 314, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 316, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 318, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 320, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 366, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 368, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 370, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 372, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 386, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 388, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 390, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 392, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 394, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 396, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 398, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 400, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 674, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 676, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 678, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 680, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_72505493.pdb -s /var/tmp/to_scwrl_72505493.seq -o /var/tmp/from_scwrl_72505493.pdb > /var/tmp/scwrl_72505493.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_72505493.pdb # conformation set from SCWRL output # naming current conformation SAM-T02_AL4-scwrl # ReadConformPDB reading from PDB file servers/SAM-T02_AL5.pdb.gz looking for model 1 Skipped atom 34, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 36, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 38, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 40, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 98, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 100, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 102, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 104, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 206, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 208, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 210, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 212, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 262, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 264, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 266, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 268, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 506, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 508, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 510, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 512, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_2044867565.pdb -s /var/tmp/to_scwrl_2044867565.seq -o /var/tmp/from_scwrl_2044867565.pdb > /var/tmp/scwrl_2044867565.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2044867565.pdb # conformation set from SCWRL output # naming current conformation SAM-T02_AL5-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1152027954.pdb -s /var/tmp/to_scwrl_1152027954.seq -o /var/tmp/from_scwrl_1152027954.pdb > /var/tmp/scwrl_1152027954.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1152027954.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL1-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL2.pdb.gz looking for model 1 Skipped atom 22, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL2.pdb.gz Skipped atom 24, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL2.pdb.gz Skipped atom 26, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL2.pdb.gz Skipped atom 28, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL2.pdb.gz Skipped atom 86, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL2.pdb.gz Skipped atom 88, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL2.pdb.gz Skipped atom 90, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL2.pdb.gz Skipped atom 92, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL2.pdb.gz Skipped atom 194, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL2.pdb.gz Skipped atom 196, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL2.pdb.gz Skipped atom 198, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL2.pdb.gz Skipped atom 200, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL2.pdb.gz Skipped atom 250, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL2.pdb.gz Skipped atom 252, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL2.pdb.gz Skipped atom 254, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL2.pdb.gz Skipped atom 256, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL2.pdb.gz Skipped atom 494, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL2.pdb.gz Skipped atom 496, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL2.pdb.gz Skipped atom 498, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL2.pdb.gz Skipped atom 500, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL2.pdb.gz # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_793304475.pdb -s /var/tmp/to_scwrl_793304475.seq -o /var/tmp/from_scwrl_793304475.pdb > /var/tmp/scwrl_793304475.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_793304475.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL2-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL3.pdb.gz looking for model 1 Skipped atom 310, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 312, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 314, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 316, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 362, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 364, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 366, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 368, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 382, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 384, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 386, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 388, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 390, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 392, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 394, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 396, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 670, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 672, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 674, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 676, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1037158149.pdb -s /var/tmp/to_scwrl_1037158149.seq -o /var/tmp/from_scwrl_1037158149.pdb > /var/tmp/scwrl_1037158149.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1037158149.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL3-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL4.pdb.gz looking for model 1 Skipped atom 19, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL4.pdb.gz Skipped atom 340, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL4.pdb.gz # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_2116102820.pdb -s /var/tmp/to_scwrl_2116102820.seq -o /var/tmp/from_scwrl_2116102820.pdb > /var/tmp/scwrl_2116102820.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2116102820.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL4-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1589067078.pdb -s /var/tmp/to_scwrl_1589067078.seq -o /var/tmp/from_scwrl_1589067078.pdb > /var/tmp/scwrl_1589067078.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1589067078.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL5-scwrl # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS1.pdb.gz looking for model 1 # Found a chain break before 209 # copying to AlignedFragments data structure # naming current conformation SAM_T06_server_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_825699902.pdb -s /var/tmp/to_scwrl_825699902.seq -o /var/tmp/from_scwrl_825699902.pdb > /var/tmp/scwrl_825699902.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_825699902.pdb # conformation set from SCWRL output # naming current conformation SAM_T06_server_TS1-scwrl # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_966364236.pdb -s /var/tmp/to_scwrl_966364236.seq -o /var/tmp/from_scwrl_966364236.pdb > /var/tmp/scwrl_966364236.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_966364236.pdb # conformation set from SCWRL output # naming current conformation SAM_T06_server_TS2-scwrl # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1886129820.pdb -s /var/tmp/to_scwrl_1886129820.seq -o /var/tmp/from_scwrl_1886129820.pdb > /var/tmp/scwrl_1886129820.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1886129820.pdb # conformation set from SCWRL output # naming current conformation SAM_T06_server_TS3-scwrl # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_2118515284.pdb -s /var/tmp/to_scwrl_2118515284.seq -o /var/tmp/from_scwrl_2118515284.pdb > /var/tmp/scwrl_2118515284.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2118515284.pdb # conformation set from SCWRL output # naming current conformation SAM_T06_server_TS4-scwrl # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_134721615.pdb -s /var/tmp/to_scwrl_134721615.seq -o /var/tmp/from_scwrl_134721615.pdb > /var/tmp/scwrl_134721615.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_134721615.pdb # conformation set from SCWRL output # naming current conformation SAM_T06_server_TS5-scwrl # ReadConformPDB reading from PDB file servers/SP3_TS1.pdb.gz looking for model 1 # Found a chain break before 212 # copying to AlignedFragments data structure # naming current conformation SP3_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_870917766.pdb -s /var/tmp/to_scwrl_870917766.seq -o /var/tmp/from_scwrl_870917766.pdb > /var/tmp/scwrl_870917766.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_870917766.pdb # conformation set from SCWRL output # naming current conformation SP3_TS1-scwrl # ReadConformPDB reading from PDB file servers/SP3_TS2.pdb.gz looking for model 1 # Found a chain break before 137 # copying to AlignedFragments data structure # naming current conformation SP3_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_576536675.pdb -s /var/tmp/to_scwrl_576536675.seq -o /var/tmp/from_scwrl_576536675.pdb > /var/tmp/scwrl_576536675.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_576536675.pdb # conformation set from SCWRL output # naming current conformation SP3_TS2-scwrl # ReadConformPDB reading from PDB file servers/SP3_TS3.pdb.gz looking for model 1 # Found a chain break before 176 # copying to AlignedFragments data structure # naming current conformation SP3_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1155254048.pdb -s /var/tmp/to_scwrl_1155254048.seq -o /var/tmp/from_scwrl_1155254048.pdb > /var/tmp/scwrl_1155254048.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1155254048.pdb # conformation set from SCWRL output # naming current conformation SP3_TS3-scwrl # ReadConformPDB reading from PDB file servers/SP3_TS4.pdb.gz looking for model 1 # Found a chain break before 210 # copying to AlignedFragments data structure # naming current conformation SP3_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_2051844918.pdb -s /var/tmp/to_scwrl_2051844918.seq -o /var/tmp/from_scwrl_2051844918.pdb > /var/tmp/scwrl_2051844918.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2051844918.pdb # conformation set from SCWRL output # naming current conformation SP3_TS4-scwrl # ReadConformPDB reading from PDB file servers/SP3_TS5.pdb.gz looking for model 1 # Found a chain break before 208 # copying to AlignedFragments data structure # naming current conformation SP3_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_973667138.pdb -s /var/tmp/to_scwrl_973667138.seq -o /var/tmp/from_scwrl_973667138.pdb > /var/tmp/scwrl_973667138.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_973667138.pdb # conformation set from SCWRL output # naming current conformation SP3_TS5-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS1.pdb.gz looking for model 1 # Found a chain break before 212 # copying to AlignedFragments data structure # naming current conformation SP4_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_98208380.pdb -s /var/tmp/to_scwrl_98208380.seq -o /var/tmp/from_scwrl_98208380.pdb > /var/tmp/scwrl_98208380.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_98208380.pdb # conformation set from SCWRL output # naming current conformation SP4_TS1-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS2.pdb.gz looking for model 1 # Found a chain break before 177 # copying to AlignedFragments data structure # naming current conformation SP4_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_423340003.pdb -s /var/tmp/to_scwrl_423340003.seq -o /var/tmp/from_scwrl_423340003.pdb > /var/tmp/scwrl_423340003.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_423340003.pdb # conformation set from SCWRL output # naming current conformation SP4_TS2-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS3.pdb.gz looking for model 1 # Found a chain break before 223 # copying to AlignedFragments data structure # naming current conformation SP4_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_78399312.pdb -s /var/tmp/to_scwrl_78399312.seq -o /var/tmp/from_scwrl_78399312.pdb > /var/tmp/scwrl_78399312.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_78399312.pdb # conformation set from SCWRL output # naming current conformation SP4_TS3-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS4.pdb.gz looking for model 1 # Found a chain break before 169 # copying to AlignedFragments data structure # naming current conformation SP4_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1474144567.pdb -s /var/tmp/to_scwrl_1474144567.seq -o /var/tmp/from_scwrl_1474144567.pdb > /var/tmp/scwrl_1474144567.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1474144567.pdb # conformation set from SCWRL output # naming current conformation SP4_TS4-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS5.pdb.gz looking for model 1 # Found a chain break before 165 # copying to AlignedFragments data structure # naming current conformation SP4_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_712406353.pdb -s /var/tmp/to_scwrl_712406353.seq -o /var/tmp/from_scwrl_712406353.pdb > /var/tmp/scwrl_712406353.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_712406353.pdb # conformation set from SCWRL output # naming current conformation SP4_TS5-scwrl # ReadConformPDB reading from PDB file servers/SPARKS2_TS1.pdb.gz looking for model 1 # Found a chain break before 208 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1580985455.pdb -s /var/tmp/to_scwrl_1580985455.seq -o /var/tmp/from_scwrl_1580985455.pdb > /var/tmp/scwrl_1580985455.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1580985455.pdb # conformation set from SCWRL output # naming current conformation SPARKS2_TS1-scwrl # ReadConformPDB reading from PDB file servers/SPARKS2_TS2.pdb.gz looking for model 1 # Found a chain break before 212 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_968409072.pdb -s /var/tmp/to_scwrl_968409072.seq -o /var/tmp/from_scwrl_968409072.pdb > /var/tmp/scwrl_968409072.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_968409072.pdb # conformation set from SCWRL output # naming current conformation SPARKS2_TS2-scwrl # ReadConformPDB reading from PDB file servers/SPARKS2_TS3.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_544568160.pdb -s /var/tmp/to_scwrl_544568160.seq -o /var/tmp/from_scwrl_544568160.pdb > /var/tmp/scwrl_544568160.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_544568160.pdb # conformation set from SCWRL output # naming current conformation SPARKS2_TS3-scwrl # ReadConformPDB reading from PDB file servers/SPARKS2_TS4.pdb.gz looking for model 1 # Found a chain break before 202 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1123323459.pdb -s /var/tmp/to_scwrl_1123323459.seq -o /var/tmp/from_scwrl_1123323459.pdb > /var/tmp/scwrl_1123323459.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1123323459.pdb # conformation set from SCWRL output # naming current conformation SPARKS2_TS4-scwrl # ReadConformPDB reading from PDB file servers/SPARKS2_TS5.pdb.gz looking for model 1 # Found a chain break before 202 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_736583172.pdb -s /var/tmp/to_scwrl_736583172.seq -o /var/tmp/from_scwrl_736583172.pdb > /var/tmp/scwrl_736583172.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_736583172.pdb # conformation set from SCWRL output # naming current conformation SPARKS2_TS5-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_bnmx_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_78191588.pdb -s /var/tmp/to_scwrl_78191588.seq -o /var/tmp/from_scwrl_78191588.pdb > /var/tmp/scwrl_78191588.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_78191588.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_bnmx_TS1-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_bnmx_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1411301984.pdb -s /var/tmp/to_scwrl_1411301984.seq -o /var/tmp/from_scwrl_1411301984.pdb > /var/tmp/scwrl_1411301984.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1411301984.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_bnmx_TS2-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_bnmx_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_2075087254.pdb -s /var/tmp/to_scwrl_2075087254.seq -o /var/tmp/from_scwrl_2075087254.pdb > /var/tmp/scwrl_2075087254.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2075087254.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_bnmx_TS3-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_bnmx_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_665298329.pdb -s /var/tmp/to_scwrl_665298329.seq -o /var/tmp/from_scwrl_665298329.pdb > /var/tmp/scwrl_665298329.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_665298329.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_bnmx_TS4-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_bnmx_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1483807478.pdb -s /var/tmp/to_scwrl_1483807478.seq -o /var/tmp/from_scwrl_1483807478.pdb > /var/tmp/scwrl_1483807478.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1483807478.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_bnmx_TS5-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_expm_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation UNI-EID_expm_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1972471172.pdb -s /var/tmp/to_scwrl_1972471172.seq -o /var/tmp/from_scwrl_1972471172.pdb > /var/tmp/scwrl_1972471172.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1972471172.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_expm_TS1-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1817326283.pdb -s /var/tmp/to_scwrl_1817326283.seq -o /var/tmp/from_scwrl_1817326283.pdb > /var/tmp/scwrl_1817326283.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1817326283.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_sfst_AL1-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL2.pdb.gz looking for model 1 Skipped atom 34, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 36, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 38, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 40, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 98, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 100, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 102, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 104, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 206, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 208, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 210, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 212, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 262, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 264, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 266, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 268, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 506, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 508, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 510, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 512, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_129628306.pdb -s /var/tmp/to_scwrl_129628306.seq -o /var/tmp/from_scwrl_129628306.pdb > /var/tmp/scwrl_129628306.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_129628306.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_sfst_AL2-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_862145675.pdb -s /var/tmp/to_scwrl_862145675.seq -o /var/tmp/from_scwrl_862145675.pdb > /var/tmp/scwrl_862145675.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_862145675.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_sfst_AL3-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1785945456.pdb -s /var/tmp/to_scwrl_1785945456.seq -o /var/tmp/from_scwrl_1785945456.pdb > /var/tmp/scwrl_1785945456.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1785945456.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_sfst_AL4-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL5.pdb.gz looking for model 1 Skipped atom 314, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 316, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 318, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 320, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 366, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 368, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 370, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 372, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 386, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 388, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 390, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 392, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 394, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 396, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 398, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 400, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 674, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 676, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 678, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 680, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1718695384.pdb -s /var/tmp/to_scwrl_1718695384.seq -o /var/tmp/from_scwrl_1718695384.pdb > /var/tmp/scwrl_1718695384.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1718695384.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_sfst_AL5-scwrl # ReadConformPDB reading from PDB file servers/Zhang-Server_TS1.pdb.gz looking for model 1 # Found a chain break before 221 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1687845576.pdb -s /var/tmp/to_scwrl_1687845576.seq -o /var/tmp/from_scwrl_1687845576.pdb > /var/tmp/scwrl_1687845576.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1687845576.pdb # conformation set from SCWRL output # naming current conformation Zhang-Server_TS1-scwrl # ReadConformPDB reading from PDB file servers/Zhang-Server_TS2.pdb.gz looking for model 1 # Found a chain break before 207 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_604826045.pdb -s /var/tmp/to_scwrl_604826045.seq -o /var/tmp/from_scwrl_604826045.pdb > /var/tmp/scwrl_604826045.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_604826045.pdb # conformation set from SCWRL output # naming current conformation Zhang-Server_TS2-scwrl # ReadConformPDB reading from PDB file servers/Zhang-Server_TS3.pdb.gz looking for model 1 # Found a chain break before 195 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1457341557.pdb -s /var/tmp/to_scwrl_1457341557.seq -o /var/tmp/from_scwrl_1457341557.pdb > /var/tmp/scwrl_1457341557.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1457341557.pdb # conformation set from SCWRL output # naming current conformation Zhang-Server_TS3-scwrl # ReadConformPDB reading from PDB file servers/Zhang-Server_TS4.pdb.gz looking for model 1 # Found a chain break before 206 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1658877213.pdb -s /var/tmp/to_scwrl_1658877213.seq -o /var/tmp/from_scwrl_1658877213.pdb > /var/tmp/scwrl_1658877213.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1658877213.pdb # conformation set from SCWRL output # naming current conformation Zhang-Server_TS4-scwrl # ReadConformPDB reading from PDB file servers/Zhang-Server_TS5.pdb.gz looking for model 1 # Found a chain break before 223 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_739547661.pdb -s /var/tmp/to_scwrl_739547661.seq -o /var/tmp/from_scwrl_739547661.pdb > /var/tmp/scwrl_739547661.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_739547661.pdb # conformation set from SCWRL output # naming current conformation Zhang-Server_TS5-scwrl # ReadConformPDB reading from PDB file servers/beautshot_TS1.pdb.gz looking for model 1 # Found a chain break before 221 # copying to AlignedFragments data structure # naming current conformation beautshot_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_180775677.pdb -s /var/tmp/to_scwrl_180775677.seq -o /var/tmp/from_scwrl_180775677.pdb > /var/tmp/scwrl_180775677.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_180775677.pdb # conformation set from SCWRL output # naming current conformation beautshot_TS1-scwrl # ReadConformPDB reading from PDB file servers/beautshotbase_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation beautshotbase_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_87930241.pdb -s /var/tmp/to_scwrl_87930241.seq -o /var/tmp/from_scwrl_87930241.pdb > /var/tmp/scwrl_87930241.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_87930241.pdb # conformation set from SCWRL output # naming current conformation beautshotbase_TS1-scwrl # ReadConformPDB reading from PDB file servers/forecast-s_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation forecast-s_AL1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1894801709.pdb -s /var/tmp/to_scwrl_1894801709.seq -o /var/tmp/from_scwrl_1894801709.pdb > /var/tmp/scwrl_1894801709.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1894801709.pdb # conformation set from SCWRL output # naming current conformation forecast-s_AL1-scwrl # ReadConformPDB reading from PDB file servers/forecast-s_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation forecast-s_AL2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_85136948.pdb -s /var/tmp/to_scwrl_85136948.seq -o /var/tmp/from_scwrl_85136948.pdb > /var/tmp/scwrl_85136948.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_85136948.pdb # conformation set from SCWRL output # naming current conformation forecast-s_AL2-scwrl # ReadConformPDB reading from PDB file servers/forecast-s_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation forecast-s_AL3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1061597379.pdb -s /var/tmp/to_scwrl_1061597379.seq -o /var/tmp/from_scwrl_1061597379.pdb > /var/tmp/scwrl_1061597379.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1061597379.pdb # conformation set from SCWRL output # naming current conformation forecast-s_AL3-scwrl # ReadConformPDB reading from PDB file servers/forecast-s_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation forecast-s_AL4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1993010090.pdb -s /var/tmp/to_scwrl_1993010090.seq -o /var/tmp/from_scwrl_1993010090.pdb > /var/tmp/scwrl_1993010090.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1993010090.pdb # conformation set from SCWRL output # naming current conformation forecast-s_AL4-scwrl # ReadConformPDB reading from PDB file servers/forecast-s_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation forecast-s_AL5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_508476952.pdb -s /var/tmp/to_scwrl_508476952.seq -o /var/tmp/from_scwrl_508476952.pdb > /var/tmp/scwrl_508476952.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_508476952.pdb # conformation set from SCWRL output # naming current conformation forecast-s_AL5-scwrl # ReadConformPDB reading from PDB file servers/gtg_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation gtg_AL1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1139996690.pdb -s /var/tmp/to_scwrl_1139996690.seq -o /var/tmp/from_scwrl_1139996690.pdb > /var/tmp/scwrl_1139996690.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1139996690.pdb # conformation set from SCWRL output # naming current conformation gtg_AL1-scwrl # ReadConformPDB reading from PDB file servers/gtg_AL2.pdb.gz looking for model 1 Skipped atom 26, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL2.pdb.gz Skipped atom 28, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL2.pdb.gz Skipped atom 30, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL2.pdb.gz Skipped atom 32, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL2.pdb.gz Skipped atom 90, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL2.pdb.gz Skipped atom 92, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL2.pdb.gz Skipped atom 94, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL2.pdb.gz Skipped atom 96, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL2.pdb.gz Skipped atom 198, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL2.pdb.gz Skipped atom 200, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL2.pdb.gz Skipped atom 202, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL2.pdb.gz Skipped atom 204, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL2.pdb.gz Skipped atom 254, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL2.pdb.gz Skipped atom 256, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL2.pdb.gz Skipped atom 258, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL2.pdb.gz Skipped atom 260, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL2.pdb.gz Skipped atom 498, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL2.pdb.gz Skipped atom 500, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL2.pdb.gz Skipped atom 502, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL2.pdb.gz Skipped atom 504, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL2.pdb.gz # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation gtg_AL2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1319671010.pdb -s /var/tmp/to_scwrl_1319671010.seq -o /var/tmp/from_scwrl_1319671010.pdb > /var/tmp/scwrl_1319671010.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1319671010.pdb # conformation set from SCWRL output # naming current conformation gtg_AL2-scwrl # ReadConformPDB reading from PDB file servers/gtg_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation gtg_AL3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1220883304.pdb -s /var/tmp/to_scwrl_1220883304.seq -o /var/tmp/from_scwrl_1220883304.pdb > /var/tmp/scwrl_1220883304.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1220883304.pdb # conformation set from SCWRL output # naming current conformation gtg_AL3-scwrl # ReadConformPDB reading from PDB file servers/gtg_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation gtg_AL4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_573498500.pdb -s /var/tmp/to_scwrl_573498500.seq -o /var/tmp/from_scwrl_573498500.pdb > /var/tmp/scwrl_573498500.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_573498500.pdb # conformation set from SCWRL output # naming current conformation gtg_AL4-scwrl # ReadConformPDB reading from PDB file servers/gtg_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation gtg_AL5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_140596436.pdb -s /var/tmp/to_scwrl_140596436.seq -o /var/tmp/from_scwrl_140596436.pdb > /var/tmp/scwrl_140596436.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_140596436.pdb # conformation set from SCWRL output # naming current conformation gtg_AL5-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS1.pdb.gz looking for model 1 # Found a chain break before 217 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1765451465.pdb -s /var/tmp/to_scwrl_1765451465.seq -o /var/tmp/from_scwrl_1765451465.pdb > /var/tmp/scwrl_1765451465.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1765451465.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.2_TS1-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS2.pdb.gz looking for model 1 # Found a chain break before 217 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1696821959.pdb -s /var/tmp/to_scwrl_1696821959.seq -o /var/tmp/from_scwrl_1696821959.pdb > /var/tmp/scwrl_1696821959.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1696821959.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.2_TS2-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS3.pdb.gz looking for model 1 # Found a chain break before 204 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_877179608.pdb -s /var/tmp/to_scwrl_877179608.seq -o /var/tmp/from_scwrl_877179608.pdb > /var/tmp/scwrl_877179608.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_877179608.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.2_TS3-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS4.pdb.gz looking for model 1 # Found a chain break before 221 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1843643053.pdb -s /var/tmp/to_scwrl_1843643053.seq -o /var/tmp/from_scwrl_1843643053.pdb > /var/tmp/scwrl_1843643053.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1843643053.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.2_TS4-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS5.pdb.gz looking for model 1 # Found a chain break before 217 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_960640298.pdb -s /var/tmp/to_scwrl_960640298.seq -o /var/tmp/from_scwrl_960640298.pdb > /var/tmp/scwrl_960640298.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_960640298.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.2_TS5-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS1.pdb.gz looking for model 1 WARNING: atoms too close: (T0303)G144.O and (T0303)Q145.N only 0.000 apart, marking (T0303)Q145.N as missing # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_804783215.pdb -s /var/tmp/to_scwrl_804783215.seq -o /var/tmp/from_scwrl_804783215.pdb > /var/tmp/scwrl_804783215.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_804783215.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS1-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS2.pdb.gz looking for model 1 WARNING: atoms too close: (T0303)H124.O and (T0303)V125.N only 0.000 apart, marking (T0303)V125.N as missing # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_361457735.pdb -s /var/tmp/to_scwrl_361457735.seq -o /var/tmp/from_scwrl_361457735.pdb > /var/tmp/scwrl_361457735.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_361457735.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS2-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS3.pdb.gz looking for model 1 # Found a chain break before 221 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_296964129.pdb -s /var/tmp/to_scwrl_296964129.seq -o /var/tmp/from_scwrl_296964129.pdb > /var/tmp/scwrl_296964129.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_296964129.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS3-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS4.pdb.gz looking for model 1 WARNING: atoms too close: (T0303)V116.O and (T0303)V117.N only 0.000 apart, marking (T0303)V117.N as missing # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_629770741.pdb -s /var/tmp/to_scwrl_629770741.seq -o /var/tmp/from_scwrl_629770741.pdb > /var/tmp/scwrl_629770741.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_629770741.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS4-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS5.pdb.gz looking for model 1 WARNING: atoms too close: (T0303)P152.O and (T0303)H153.N only 0.000 apart, marking (T0303)H153.N as missing # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_31300371.pdb -s /var/tmp/to_scwrl_31300371.seq -o /var/tmp/from_scwrl_31300371.pdb > /var/tmp/scwrl_31300371.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_31300371.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS5-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv_TS1.pdb.gz looking for model 1 # Found a chain break before 199 # copying to AlignedFragments data structure # naming current conformation karypis.srv_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_426592435.pdb -s /var/tmp/to_scwrl_426592435.seq -o /var/tmp/from_scwrl_426592435.pdb > /var/tmp/scwrl_426592435.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_426592435.pdb # conformation set from SCWRL output # naming current conformation karypis.srv_TS1-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1491916415.pdb -s /var/tmp/to_scwrl_1491916415.seq -o /var/tmp/from_scwrl_1491916415.pdb > /var/tmp/scwrl_1491916415.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1491916415.pdb # conformation set from SCWRL output # naming current conformation karypis.srv_TS2-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1817245828.pdb -s /var/tmp/to_scwrl_1817245828.seq -o /var/tmp/from_scwrl_1817245828.pdb > /var/tmp/scwrl_1817245828.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1817245828.pdb # conformation set from SCWRL output # naming current conformation karypis.srv_TS3-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv_TS4.pdb.gz looking for model 1 # Found a chain break before 201 # copying to AlignedFragments data structure # naming current conformation karypis.srv_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_2145287819.pdb -s /var/tmp/to_scwrl_2145287819.seq -o /var/tmp/from_scwrl_2145287819.pdb > /var/tmp/scwrl_2145287819.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2145287819.pdb # conformation set from SCWRL output # naming current conformation karypis.srv_TS4-scwrl # ReadConformPDB reading from PDB file servers/mGen-3D_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation mGen-3D_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1032278345.pdb -s /var/tmp/to_scwrl_1032278345.seq -o /var/tmp/from_scwrl_1032278345.pdb > /var/tmp/scwrl_1032278345.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1032278345.pdb # conformation set from SCWRL output # naming current conformation mGen-3D_TS1-scwrl # ReadConformPDB reading from PDB file servers/nFOLD_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation nFOLD_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_274588226.pdb -s /var/tmp/to_scwrl_274588226.seq -o /var/tmp/from_scwrl_274588226.pdb > /var/tmp/scwrl_274588226.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_274588226.pdb # conformation set from SCWRL output # naming current conformation nFOLD_TS1-scwrl # ReadConformPDB reading from PDB file servers/nFOLD_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation nFOLD_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1455145729.pdb -s /var/tmp/to_scwrl_1455145729.seq -o /var/tmp/from_scwrl_1455145729.pdb > /var/tmp/scwrl_1455145729.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1455145729.pdb # conformation set from SCWRL output # naming current conformation nFOLD_TS2-scwrl # ReadConformPDB reading from PDB file servers/nFOLD_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation nFOLD_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_543671911.pdb -s /var/tmp/to_scwrl_543671911.seq -o /var/tmp/from_scwrl_543671911.pdb > /var/tmp/scwrl_543671911.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_543671911.pdb # conformation set from SCWRL output # naming current conformation nFOLD_TS3-scwrl # ReadConformPDB reading from PDB file servers/nFOLD_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation nFOLD_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1014135887.pdb -s /var/tmp/to_scwrl_1014135887.seq -o /var/tmp/from_scwrl_1014135887.pdb > /var/tmp/scwrl_1014135887.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1014135887.pdb # conformation set from SCWRL output # naming current conformation nFOLD_TS4-scwrl # ReadConformPDB reading from PDB file servers/nFOLD_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation nFOLD_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1635921406.pdb -s /var/tmp/to_scwrl_1635921406.seq -o /var/tmp/from_scwrl_1635921406.pdb > /var/tmp/scwrl_1635921406.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1635921406.pdb # conformation set from SCWRL output # naming current conformation nFOLD_TS5-scwrl # ReadConformPDB reading from PDB file servers/panther2_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation panther2_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_631602153.pdb -s /var/tmp/to_scwrl_631602153.seq -o /var/tmp/from_scwrl_631602153.pdb > /var/tmp/scwrl_631602153.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_631602153.pdb # conformation set from SCWRL output # naming current conformation panther2_TS1-scwrl # ReadConformPDB reading from PDB file servers/shub_TS1.pdb.gz looking for model 1 # Found a chain break before 223 # copying to AlignedFragments data structure # naming current conformation shub_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_761453950.pdb -s /var/tmp/to_scwrl_761453950.seq -o /var/tmp/from_scwrl_761453950.pdb > /var/tmp/scwrl_761453950.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_761453950.pdb # conformation set from SCWRL output # naming current conformation shub_TS1-scwrl # command:CPU_time= 57.8702 sec, elapsed time= 356.506 sec) # command:# Prefix for output files set to decoys/ # command:# Will now start reporting costs to decoys/evaluate.rdb # command:# CostConform Warning: Couldn't open file decoys//projects/compbio/experiments/undertaker/spots/near-backbone-center.spot or decoys//projects/compbio/experiments/undertaker/spots/near-backbone-center.spot.gz for input Trying /projects/compbio/experiments/undertaker/spots/near-backbone-center.spot # Reading spots from /projects/compbio/experiments/undertaker/spots/near-backbone-center.spot shub_TS1-scwrl costs 0 real_cost = -120.164 shub_TS1 costs 0 real_cost = -105.678 panther2_TS1-scwrl costs 0 real_cost = -0.45903 panther2_TS1 costs 0 real_cost = 13.6968 nFOLD_TS5-scwrl costs 0 real_cost = -69.6856 nFOLD_TS5 costs 0 real_cost = 33.8168 nFOLD_TS4-scwrl costs 0 real_cost = 7.29598 nFOLD_TS4 costs 0 real_cost = 112.57 nFOLD_TS3-scwrl costs 0 real_cost = 1.04245 nFOLD_TS3 costs 0 real_cost = 128.295 nFOLD_TS2-scwrl costs 0 real_cost = -75.4395 nFOLD_TS2 costs 0 real_cost = 31.3744 nFOLD_TS1-scwrl costs 0 real_cost = -17.9948 nFOLD_TS1 costs 0 real_cost = 115.131 mGen-3D_TS1-scwrl costs 0 real_cost = -78.9491 mGen-3D_TS1 costs 0 real_cost = 26.3037 karypis.srv_TS4-scwrl costs 0 real_cost = 5.54726 karypis.srv_TS4 costs 0 real_cost = 5.54726 karypis.srv_TS3-scwrl costs 0 real_cost = 10.1904 karypis.srv_TS3 costs 0 real_cost = 10.0331 karypis.srv_TS2-scwrl costs 0 real_cost = -93.0486 karypis.srv_TS2 costs 0 real_cost = -93.0622 karypis.srv_TS1-scwrl costs 0 real_cost = -55.1624 karypis.srv_TS1 costs 0 real_cost = -55.081 karypis.srv.4_TS5-scwrl costs 0 real_cost = 292.824 karypis.srv.4_TS5 costs 0 real_cost = 292.82 karypis.srv.4_TS4-scwrl costs 0 real_cost = 339.398 karypis.srv.4_TS4 costs 0 real_cost = 339.405 karypis.srv.4_TS3-scwrl costs 0 real_cost = 299.325 karypis.srv.4_TS3 costs 0 real_cost = 297.714 karypis.srv.4_TS2-scwrl costs 0 real_cost = 314.938 karypis.srv.4_TS2 costs 0 real_cost = 314.748 karypis.srv.4_TS1-scwrl costs 0 real_cost = 268.993 karypis.srv.4_TS1 costs 0 real_cost = 269.171 karypis.srv.2_TS5-scwrl costs 0 real_cost = -93.8085 karypis.srv.2_TS5 costs 0 real_cost = -93.8474 karypis.srv.2_TS4-scwrl costs 0 real_cost = -104.774 karypis.srv.2_TS4 costs 0 real_cost = -104.758 karypis.srv.2_TS3-scwrl costs 0 real_cost = -97.0104 karypis.srv.2_TS3 costs 0 real_cost = -97.0108 karypis.srv.2_TS2-scwrl costs 0 real_cost = -84.4314 karypis.srv.2_TS2 costs 0 real_cost = -84.4945 karypis.srv.2_TS1-scwrl costs 0 real_cost = -96.562 karypis.srv.2_TS1 costs 0 real_cost = -96.562 gtg_AL5-scwrl costs 0 real_cost = -33.0461 gtg_AL5 costs 0 real_cost = 78.4613 gtg_AL4-scwrl costs 0 real_cost = 74.173 gtg_AL4 costs 0 real_cost = 208.358 gtg_AL3-scwrl costs 0 real_cost = 204.126 gtg_AL3 costs 0 real_cost = 323.824 gtg_AL2-scwrl costs 0 real_cost = -35.385 gtg_AL2 costs 0 real_cost = 96.0403 gtg_AL1-scwrl costs 0 real_cost = 212.226 gtg_AL1 costs 0 real_cost = 342.229 forecast-s_AL5-scwrl costs 0 real_cost = 114.219 forecast-s_AL5 costs 0 real_cost = 257.464 forecast-s_AL4-scwrl costs 0 real_cost = 34.0954 forecast-s_AL4 costs 0 real_cost = 176.155 forecast-s_AL3-scwrl costs 0 real_cost = 19.4902 forecast-s_AL3 costs 0 real_cost = 174.429 forecast-s_AL2-scwrl costs 0 real_cost = -97.5744 forecast-s_AL2 costs 0 real_cost = 61.7071 forecast-s_AL1-scwrl costs 0 real_cost = -23.4237 forecast-s_AL1 costs 0 real_cost = 124.439 beautshotbase_TS1-scwrl costs 0 real_cost = -130.745 beautshotbase_TS1 costs 0 real_cost = -125.384 beautshot_TS1-scwrl costs 0 real_cost = -141.996 beautshot_TS1 costs 0 real_cost = -142.832 Zhang-Server_TS5-scwrl costs 0 real_cost = -4.09088 Zhang-Server_TS5 costs 0 real_cost = -4.95652 Zhang-Server_TS4-scwrl costs 0 real_cost = -6.00895 Zhang-Server_TS4 costs 0 real_cost = -1.56437 Zhang-Server_TS3-scwrl costs 0 real_cost = -122.131 Zhang-Server_TS3 costs 0 real_cost = -118.049 Zhang-Server_TS2-scwrl costs 0 real_cost = -193.343 Zhang-Server_TS2 costs 0 real_cost = -187.875 Zhang-Server_TS1-scwrl costs 0 real_cost = -199.921 Zhang-Server_TS1 costs 0 real_cost = -193.136 UNI-EID_sfst_AL5-scwrl costs 0 real_cost = -60.4622 UNI-EID_sfst_AL5 costs 0 real_cost = 80.7811 UNI-EID_sfst_AL4-scwrl costs 0 real_cost = -60.8961 UNI-EID_sfst_AL4 costs 0 real_cost = 77.7066 UNI-EID_sfst_AL3-scwrl costs 0 real_cost = -81.8176 UNI-EID_sfst_AL3 costs 0 real_cost = 77.2087 UNI-EID_sfst_AL2-scwrl costs 0 real_cost = -73.426 UNI-EID_sfst_AL2 costs 0 real_cost = 65.2452 UNI-EID_sfst_AL1-scwrl costs 0 real_cost = -144.742 UNI-EID_sfst_AL1 costs 0 real_cost = 0.607499 UNI-EID_expm_TS1-scwrl costs 0 real_cost = -23.5767 UNI-EID_expm_TS1 costs 0 real_cost = -23.5574 UNI-EID_bnmx_TS5-scwrl costs 0 real_cost = -61.4803 UNI-EID_bnmx_TS5 costs 0 real_cost = 80.812 UNI-EID_bnmx_TS4-scwrl costs 0 real_cost = -57.0131 UNI-EID_bnmx_TS4 costs 0 real_cost = 80.0757 UNI-EID_bnmx_TS3-scwrl costs 0 real_cost = 20.9047 UNI-EID_bnmx_TS3 costs 0 real_cost = 183.807 UNI-EID_bnmx_TS2-scwrl costs 0 real_cost = -78.7083 UNI-EID_bnmx_TS2 costs 0 real_cost = 63.71 UNI-EID_bnmx_TS1-scwrl costs 0 real_cost = -144.742 UNI-EID_bnmx_TS1 costs 0 real_cost = 0.607499 SPARKS2_TS5-scwrl costs 0 real_cost = -73.7872 SPARKS2_TS5 costs 0 real_cost = -71.6918 SPARKS2_TS4-scwrl costs 0 real_cost = 11.4154 SPARKS2_TS4 costs 0 real_cost = 19.3855 SPARKS2_TS3-scwrl costs 0 real_cost = -31.7917 SPARKS2_TS3 costs 0 real_cost = -29.4151 SPARKS2_TS2-scwrl costs 0 real_cost = -156.85 SPARKS2_TS2 costs 0 real_cost = -155.69 SPARKS2_TS1-scwrl costs 0 real_cost = -64.2187 SPARKS2_TS1 costs 0 real_cost = -61.7475 SP4_TS5-scwrl costs 0 real_cost = -101.574 SP4_TS5 costs 0 real_cost = -99.768 SP4_TS4-scwrl costs 0 real_cost = 15.2725 SP4_TS4 costs 0 real_cost = 16.942 SP4_TS3-scwrl costs 0 real_cost = -120.873 SP4_TS3 costs 0 real_cost = -114.167 SP4_TS2-scwrl costs 0 real_cost = -55.0473 SP4_TS2 costs 0 real_cost = -48.8292 SP4_TS1-scwrl costs 0 real_cost = -132.465 SP4_TS1 costs 0 real_cost = -132.952 SP3_TS5-scwrl costs 0 real_cost = -113.268 SP3_TS5 costs 0 real_cost = -106.715 SP3_TS4-scwrl costs 0 real_cost = -68.6299 SP3_TS4 costs 0 real_cost = -67.0794 SP3_TS3-scwrl costs 0 real_cost = 4.49973 SP3_TS3 costs 0 real_cost = 12.3203 SP3_TS2-scwrl costs 0 real_cost = -30.4879 SP3_TS2 costs 0 real_cost = -21.7809 SP3_TS1-scwrl costs 0 real_cost = -132.465 SP3_TS1 costs 0 real_cost = -132.952 SAM_T06_server_TS5-scwrl costs 0 real_cost = -1.91259 SAM_T06_server_TS5 costs 0 real_cost = -39.909 SAM_T06_server_TS4-scwrl costs 0 real_cost = 48.1132 SAM_T06_server_TS4 costs 0 real_cost = -6.52317 SAM_T06_server_TS3-scwrl costs 0 real_cost = 24.21 SAM_T06_server_TS3 costs 0 real_cost = -28.2126 SAM_T06_server_TS2-scwrl costs 0 real_cost = -35.9121 SAM_T06_server_TS2 costs 0 real_cost = -91.4764 SAM_T06_server_TS1-scwrl costs 0 real_cost = -8.34575 SAM_T06_server_TS1 costs 0 real_cost = -9.25256 SAM-T99_AL5-scwrl costs 0 real_cost = -91.1759 SAM-T99_AL5 costs 0 real_cost = 57.5803 SAM-T99_AL4-scwrl costs 0 real_cost = -25.8886 SAM-T99_AL4 costs 0 real_cost = 128.803 SAM-T99_AL3-scwrl costs 0 real_cost = -26.6585 SAM-T99_AL3 costs 0 real_cost = 106.97 SAM-T99_AL2-scwrl costs 0 real_cost = -46.1557 SAM-T99_AL2 costs 0 real_cost = 82.0539 SAM-T99_AL1-scwrl costs 0 real_cost = -128.313 SAM-T99_AL1 costs 0 real_cost = 7.15934 SAM-T02_AL5-scwrl costs 0 real_cost = -70.5062 SAM-T02_AL5 costs 0 real_cost = 68.2517 SAM-T02_AL4-scwrl costs 0 real_cost = -56.8856 SAM-T02_AL4 costs 0 real_cost = 86.4578 SAM-T02_AL3-scwrl costs 0 real_cost = 2.22745 SAM-T02_AL3 costs 0 real_cost = 152.057 SAM-T02_AL2-scwrl costs 0 real_cost = 18.9455 SAM-T02_AL2 costs 0 real_cost = 174.642 SAM-T02_AL1-scwrl costs 0 real_cost = -133.75 SAM-T02_AL1 costs 0 real_cost = 4.77784 ROKKY_TS5-scwrl costs 0 real_cost = -92.2017 ROKKY_TS5 costs 0 real_cost = -86.829 ROKKY_TS4-scwrl costs 0 real_cost = 16.2622 ROKKY_TS4 costs 0 real_cost = 23.4332 ROKKY_TS3-scwrl costs 0 real_cost = 8.53695 ROKKY_TS3 costs 0 real_cost = 14.2044 ROKKY_TS2-scwrl costs 0 real_cost = -34.3585 ROKKY_TS2 costs 0 real_cost = -29.7039 ROKKY_TS1-scwrl costs 0 real_cost = -174.307 ROKKY_TS1 costs 0 real_cost = -173.225 ROBETTA_TS5-scwrl costs 0 real_cost = -82.6054 ROBETTA_TS5 costs 0 real_cost = -78.5327 ROBETTA_TS4-scwrl costs 0 real_cost = -164.788 ROBETTA_TS4 costs 0 real_cost = -165.113 ROBETTA_TS3-scwrl costs 0 real_cost = -172.369 ROBETTA_TS3 costs 0 real_cost = -172.026 ROBETTA_TS2-scwrl costs 0 real_cost = -95.5553 ROBETTA_TS2 costs 0 real_cost = -100.963 ROBETTA_TS1-scwrl costs 0 real_cost = -91.7446 ROBETTA_TS1 costs 0 real_cost = -90.651 RAPTOR_TS5-scwrl costs 0 real_cost = 26.095 RAPTOR_TS5 costs 0 real_cost = 31.4738 RAPTOR_TS4-scwrl costs 0 real_cost = -109.606 RAPTOR_TS4 costs 0 real_cost = -103.129 RAPTOR_TS3-scwrl costs 0 real_cost = -65.8654 RAPTOR_TS3 costs 0 real_cost = -60.4518 RAPTOR_TS2-scwrl costs 0 real_cost = -125.225 RAPTOR_TS2 costs 0 real_cost = -126.824 RAPTOR_TS1-scwrl costs 0 real_cost = -103.075 RAPTOR_TS1 costs 0 real_cost = -98.9785 RAPTORESS_TS5-scwrl costs 0 real_cost = -25.2122 RAPTORESS_TS5 costs 0 real_cost = -14.5019 RAPTORESS_TS4-scwrl costs 0 real_cost = -92.7417 RAPTORESS_TS4 costs 0 real_cost = -87.2253 RAPTORESS_TS3-scwrl costs 0 real_cost = -49.8437 RAPTORESS_TS3 costs 0 real_cost = -44.0443 RAPTORESS_TS2-scwrl costs 0 real_cost = -113.191 RAPTORESS_TS2 costs 0 real_cost = -114.439 RAPTORESS_TS1-scwrl costs 0 real_cost = -94.9819 RAPTORESS_TS1 costs 0 real_cost = -82.875 RAPTOR-ACE_TS5-scwrl costs 0 real_cost = -13.7443 RAPTOR-ACE_TS5 costs 0 real_cost = -14.2493 RAPTOR-ACE_TS4-scwrl costs 0 real_cost = -128.884 RAPTOR-ACE_TS4 costs 0 real_cost = -126.673 RAPTOR-ACE_TS3-scwrl costs 0 real_cost = -137.259 RAPTOR-ACE_TS3 costs 0 real_cost = -137.206 RAPTOR-ACE_TS2-scwrl costs 0 real_cost = -132.465 RAPTOR-ACE_TS2 costs 0 real_cost = -132.952 RAPTOR-ACE_TS1-scwrl costs 0 real_cost = -140.469 RAPTOR-ACE_TS1 costs 0 real_cost = -137.665 Pmodeller6_TS5-scwrl costs 0 real_cost = -164.788 Pmodeller6_TS5 costs 0 real_cost = -165.113 Pmodeller6_TS4-scwrl costs 0 real_cost = -159.436 Pmodeller6_TS4 costs 0 real_cost = -159.414 Pmodeller6_TS3-scwrl costs 0 real_cost = -159.436 Pmodeller6_TS3 costs 0 real_cost = -159.414 Pmodeller6_TS2-scwrl costs 0 real_cost = -159.245 Pmodeller6_TS2 costs 0 real_cost = -159.884 Pmodeller6_TS1-scwrl costs 0 real_cost = -172.369 Pmodeller6_TS1 costs 0 real_cost = -172.026 Phyre-2_TS5-scwrl costs 0 real_cost = -110.326 Phyre-2_TS5 costs 0 real_cost = -104.441 Phyre-2_TS4-scwrl costs 0 real_cost = -100.493 Phyre-2_TS4 costs 0 real_cost = -98.2586 Phyre-2_TS3-scwrl costs 0 real_cost = -100.981 Phyre-2_TS3 costs 0 real_cost = -98.8093 Phyre-2_TS2-scwrl costs 0 real_cost = -100.998 Phyre-2_TS2 costs 0 real_cost = -98.8266 Phyre-2_TS1-scwrl costs 0 real_cost = -106.824 Phyre-2_TS1 costs 0 real_cost = -102.694 Phyre-1_TS1-scwrl costs 0 real_cost = -83.5766 Phyre-1_TS1 costs 0 real_cost = -83.3861 Pcons6_TS5-scwrl costs 0 real_cost = -158.514 Pcons6_TS5 costs 0 real_cost = -158.511 Pcons6_TS4-scwrl costs 0 real_cost = -159.436 Pcons6_TS4 costs 0 real_cost = -159.414 Pcons6_TS3-scwrl costs 0 real_cost = -127.78 Pcons6_TS3 costs 0 real_cost = -127.466 Pcons6_TS2-scwrl costs 0 real_cost = -159.245 Pcons6_TS2 costs 0 real_cost = -159.884 Pcons6_TS1-scwrl costs 0 real_cost = -160.256 Pcons6_TS1 costs 0 real_cost = -161.731 PROTINFO_TS5-scwrl costs 0 real_cost = -35.0607 PROTINFO_TS5 costs 0 real_cost = -35.2604 PROTINFO_TS4-scwrl costs 0 real_cost = -4.23156 PROTINFO_TS4 costs 0 real_cost = -4.03928 PROTINFO_TS3-scwrl costs 0 real_cost = 1.79563 PROTINFO_TS3 costs 0 real_cost = 2.12625 PROTINFO_TS2-scwrl costs 0 real_cost = -6.99329 PROTINFO_TS2 costs 0 real_cost = -6.98625 PROTINFO_TS1-scwrl costs 0 real_cost = -119.913 PROTINFO_TS1 costs 0 real_cost = -116.237 PROTINFO-AB_TS5-scwrl costs 0 real_cost = 15.0518 PROTINFO-AB_TS5 costs 0 real_cost = 12.6859 PROTINFO-AB_TS4-scwrl costs 0 real_cost = 25.135 PROTINFO-AB_TS4 costs 0 real_cost = 17.7832 PROTINFO-AB_TS3-scwrl costs 0 real_cost = 31.1697 PROTINFO-AB_TS3 costs 0 real_cost = 32.2642 PROTINFO-AB_TS2-scwrl costs 0 real_cost = 0.876818 PROTINFO-AB_TS2 costs 0 real_cost = -1.74042 PROTINFO-AB_TS1-scwrl costs 0 real_cost = -4.23156 PROTINFO-AB_TS1 costs 0 real_cost = -4.03928 NN_PUT_lab_TS1-scwrl costs 0 real_cost = -102.616 NN_PUT_lab_TS1 costs 0 real_cost = -99.6382 MetaTasser_TS5-scwrl costs 0 real_cost = -93.655 MetaTasser_TS5 costs 0 real_cost = -94.2578 MetaTasser_TS4-scwrl costs 0 real_cost = -95.961 MetaTasser_TS4 costs 0 real_cost = -93.5303 MetaTasser_TS3-scwrl costs 0 real_cost = -50.1243 MetaTasser_TS3 costs 0 real_cost = -52.9182 MetaTasser_TS2-scwrl costs 0 real_cost = -74.9566 MetaTasser_TS2 costs 0 real_cost = -72.0525 MetaTasser_TS1-scwrl costs 0 real_cost = -179.583 MetaTasser_TS1 costs 0 real_cost = -175.581 Ma-OPUS-server_TS5-scwrl costs 0 real_cost = -94.622 Ma-OPUS-server_TS5 costs 0 real_cost = -93.5075 Ma-OPUS-server_TS4-scwrl costs 0 real_cost = -21.3834 Ma-OPUS-server_TS4 costs 0 real_cost = -19.0308 Ma-OPUS-server_TS3-scwrl costs 0 real_cost = -132.912 Ma-OPUS-server_TS3 costs 0 real_cost = -130.337 Ma-OPUS-server_TS2-scwrl costs 0 real_cost = -100.071 Ma-OPUS-server_TS2 costs 0 real_cost = -89.9019 Ma-OPUS-server_TS1-scwrl costs 0 real_cost = -21.8442 Ma-OPUS-server_TS1 costs 0 real_cost = -19.792 MIG_FROST_AL1-scwrl costs 0 real_cost = 433.535 MIG_FROST_AL1 costs 0 real_cost = 313.73 LOOPP_TS5-scwrl costs 0 real_cost = -107.772 LOOPP_TS5 costs 0 real_cost = -103.775 LOOPP_TS4-scwrl costs 0 real_cost = -67.2884 LOOPP_TS4 costs 0 real_cost = -57.0893 LOOPP_TS3-scwrl costs 0 real_cost = -74.5233 LOOPP_TS3 costs 0 real_cost = -71.7541 LOOPP_TS2-scwrl costs 0 real_cost = -80.6906 LOOPP_TS2 costs 0 real_cost = -70.9073 LOOPP_TS1-scwrl costs 0 real_cost = -102.616 LOOPP_TS1 costs 0 real_cost = -99.6382 Huber-Torda-Server_TS5-scwrl costs 0 real_cost = 45.1331 Huber-Torda-Server_TS5 costs 0 real_cost = 138.383 Huber-Torda-Server_TS4-scwrl costs 0 real_cost = 77.6253 Huber-Torda-Server_TS4 costs 0 real_cost = 170.431 Huber-Torda-Server_TS3-scwrl costs 0 real_cost = 29.608 Huber-Torda-Server_TS3 costs 0 real_cost = 92.4036 Huber-Torda-Server_TS2-scwrl costs 0 real_cost = -37.4526 Huber-Torda-Server_TS2 costs 0 real_cost = 77.1571 Huber-Torda-Server_TS1-scwrl costs 0 real_cost = -59.6105 Huber-Torda-Server_TS1 costs 0 real_cost = 36.5764 HHpred3_TS1-scwrl costs 0 real_cost = -178.439 HHpred3_TS1 costs 0 real_cost = -173.948 HHpred2_TS1-scwrl costs 0 real_cost = -178.439 HHpred2_TS1 costs 0 real_cost = -173.948 HHpred1_TS1-scwrl costs 0 real_cost = -144.319 HHpred1_TS1 costs 0 real_cost = -146.692 GeneSilicoMetaServer_TS5-scwrl costs 0 real_cost = -58.6374 GeneSilicoMetaServer_TS5 costs 0 real_cost = -57.5026 GeneSilicoMetaServer_TS4-scwrl costs 0 real_cost = -74.1257 GeneSilicoMetaServer_TS4 costs 0 real_cost = -71.478 GeneSilicoMetaServer_TS3-scwrl costs 0 real_cost = -143.739 GeneSilicoMetaServer_TS3 costs 0 real_cost = -145.948 GeneSilicoMetaServer_TS2-scwrl costs 0 real_cost = -87.8864 GeneSilicoMetaServer_TS2 costs 0 real_cost = -83.7438 GeneSilicoMetaServer_TS1-scwrl costs 0 real_cost = -153.565 GeneSilicoMetaServer_TS1 costs 0 real_cost = -150.383 FUNCTION_TS5-scwrl costs 0 real_cost = -142.765 FUNCTION_TS5 costs 0 real_cost = -140.7 FUNCTION_TS4-scwrl costs 0 real_cost = -77.5857 FUNCTION_TS4 costs 0 real_cost = -80.366 FUNCTION_TS3-scwrl costs 0 real_cost = -53.3393 FUNCTION_TS3 costs 0 real_cost = -59.3078 FUNCTION_TS2-scwrl costs 0 real_cost = -134.524 FUNCTION_TS2 costs 0 real_cost = -134.128 FUNCTION_TS1-scwrl costs 0 real_cost = -141.997 FUNCTION_TS1 costs 0 real_cost = -146.281 FUGUE_AL5-scwrl costs 0 real_cost = 118.956 FUGUE_AL5 costs 0 real_cost = 256.684 FUGUE_AL4-scwrl costs 0 real_cost = 186.034 FUGUE_AL4 costs 0 real_cost = 300.247 FUGUE_AL3-scwrl costs 0 real_cost = 46.1569 FUGUE_AL3 costs 0 real_cost = 167.247 FUGUE_AL2-scwrl costs 0 real_cost = -79.932 FUGUE_AL2 costs 0 real_cost = 85.4669 FUGUE_AL1-scwrl costs 0 real_cost = -103.246 FUGUE_AL1 costs 0 real_cost = 25.7689 FUGMOD_TS5-scwrl costs 0 real_cost = 116.625 FUGMOD_TS5 costs 0 real_cost = 113.661 FUGMOD_TS4-scwrl costs 0 real_cost = 223.015 FUGMOD_TS4 costs 0 real_cost = 229.608 FUGMOD_TS3-scwrl costs 0 real_cost = 5.90855 FUGMOD_TS3 costs 0 real_cost = 10.7803 FUGMOD_TS2-scwrl costs 0 real_cost = -95.067 FUGMOD_TS2 costs 0 real_cost = -93.4259 FUGMOD_TS1-scwrl costs 0 real_cost = -130.641 FUGMOD_TS1 costs 0 real_cost = -124.721 FPSOLVER-SERVER_TS5-scwrl costs 0 real_cost = 284.681 FPSOLVER-SERVER_TS5 costs 0 real_cost = 288.52 FPSOLVER-SERVER_TS4-scwrl costs 0 real_cost = 288.997 FPSOLVER-SERVER_TS4 costs 0 real_cost = 294.34 FPSOLVER-SERVER_TS3-scwrl costs 0 real_cost = 274.918 FPSOLVER-SERVER_TS3 costs 0 real_cost = 277.893 FPSOLVER-SERVER_TS2-scwrl costs 0 real_cost = 284.689 FPSOLVER-SERVER_TS2 costs 0 real_cost = 287.804 FPSOLVER-SERVER_TS1-scwrl costs 0 real_cost = 263.121 FPSOLVER-SERVER_TS1 costs 0 real_cost = 264.264 FORTE2_AL5-scwrl costs 0 real_cost = -0.229822 FORTE2_AL5 costs 0 real_cost = 145.274 FORTE2_AL4-scwrl costs 0 real_cost = 125.756 FORTE2_AL4 costs 0 real_cost = 282.121 FORTE2_AL3-scwrl costs 0 real_cost = 14.825 FORTE2_AL3 costs 0 real_cost = 175.864 FORTE2_AL2-scwrl costs 0 real_cost = -62.4461 FORTE2_AL2 costs 0 real_cost = 79.8946 FORTE2_AL1-scwrl costs 0 real_cost = -79.9267 FORTE2_AL1 costs 0 real_cost = 67.0391 FORTE1_AL5-scwrl costs 0 real_cost = -2.49568 FORTE1_AL5 costs 0 real_cost = 141.474 FORTE1_AL4-scwrl costs 0 real_cost = 134.286 FORTE1_AL4 costs 0 real_cost = 292.838 FORTE1_AL3-scwrl costs 0 real_cost = -62.4461 FORTE1_AL3 costs 0 real_cost = 79.8946 FORTE1_AL2-scwrl costs 0 real_cost = 16.7256 FORTE1_AL2 costs 0 real_cost = 175.136 FORTE1_AL1-scwrl costs 0 real_cost = -91.751 FORTE1_AL1 costs 0 real_cost = 58.0021 FOLDpro_TS5-scwrl costs 0 real_cost = 266.954 FOLDpro_TS5 costs 0 real_cost = 270.41 FOLDpro_TS4-scwrl costs 0 real_cost = 160.723 FOLDpro_TS4 costs 0 real_cost = 169.34 FOLDpro_TS3-scwrl costs 0 real_cost = 253.687 FOLDpro_TS3 costs 0 real_cost = 255.781 FOLDpro_TS2-scwrl costs 0 real_cost = 228.834 FOLDpro_TS2 costs 0 real_cost = 242.683 FOLDpro_TS1-scwrl costs 0 real_cost = -163.122 FOLDpro_TS1 costs 0 real_cost = -153.819 FAMS_TS5-scwrl costs 0 real_cost = -134.524 FAMS_TS5 costs 0 real_cost = -134.128 FAMS_TS4-scwrl costs 0 real_cost = -126.524 FAMS_TS4 costs 0 real_cost = -118.257 FAMS_TS3-scwrl costs 0 real_cost = -126.524 FAMS_TS3 costs 0 real_cost = -118.257 FAMS_TS2-scwrl costs 0 real_cost = -146.492 FAMS_TS2 costs 0 real_cost = -140.611 FAMS_TS1-scwrl costs 0 real_cost = -144.853 FAMS_TS1 costs 0 real_cost = -136.001 FAMSD_TS5-scwrl costs 0 real_cost = -135.462 FAMSD_TS5 costs 0 real_cost = -134.286 FAMSD_TS4-scwrl costs 0 real_cost = -126.524 FAMSD_TS4 costs 0 real_cost = -118.257 FAMSD_TS3-scwrl costs 0 real_cost = -132.942 FAMSD_TS3 costs 0 real_cost = -128.14 FAMSD_TS2-scwrl costs 0 real_cost = -132.989 FAMSD_TS2 costs 0 real_cost = -129.644 FAMSD_TS1-scwrl costs 0 real_cost = -146.492 FAMSD_TS1 costs 0 real_cost = -140.611 Distill_TS5-scwrl costs 0 real_cost = 454.392 Distill_TS4-scwrl costs 0 real_cost = 437.37 Distill_TS3-scwrl costs 0 real_cost = 442.86 Distill_TS2-scwrl costs 0 real_cost = 443.133 Distill_TS1-scwrl costs 0 real_cost = 419.408 CaspIta-FOX_TS5-scwrl costs 0 real_cost = 12.7952 CaspIta-FOX_TS5 costs 0 real_cost = 7.11232 CaspIta-FOX_TS4-scwrl costs 0 real_cost = 13.3163 CaspIta-FOX_TS4 costs 0 real_cost = 12.7049 CaspIta-FOX_TS3-scwrl costs 0 real_cost = -31.3018 CaspIta-FOX_TS3 costs 0 real_cost = -33.3795 CaspIta-FOX_TS2-scwrl costs 0 real_cost = -50.7338 CaspIta-FOX_TS2 costs 0 real_cost = -52.8989 CaspIta-FOX_TS1-scwrl costs 0 real_cost = -132.82 CaspIta-FOX_TS1 costs 0 real_cost = -139.557 CPHmodels_TS1-scwrl costs 0 real_cost = 206.3 CPHmodels_TS1 costs 0 real_cost = 214.404 CIRCLE_TS5-scwrl costs 0 real_cost = -132.942 CIRCLE_TS5 costs 0 real_cost = -128.14 CIRCLE_TS4-scwrl costs 0 real_cost = -126.524 CIRCLE_TS4 costs 0 real_cost = -118.257 CIRCLE_TS3-scwrl costs 0 real_cost = -134.524 CIRCLE_TS3 costs 0 real_cost = -134.128 CIRCLE_TS2-scwrl costs 0 real_cost = -141.997 CIRCLE_TS2 costs 0 real_cost = -146.281 CIRCLE_TS1-scwrl costs 0 real_cost = -146.492 CIRCLE_TS1 costs 0 real_cost = -140.611 Bilab-ENABLE_TS5-scwrl costs 0 real_cost = -4.5766 Bilab-ENABLE_TS5 costs 0 real_cost = -5.18194 Bilab-ENABLE_TS4-scwrl costs 0 real_cost = -13.4306 Bilab-ENABLE_TS4 costs 0 real_cost = -13.4306 Bilab-ENABLE_TS3-scwrl costs 0 real_cost = -137.034 Bilab-ENABLE_TS3 costs 0 real_cost = -137.564 Bilab-ENABLE_TS2-scwrl costs 0 real_cost = -38.8744 Bilab-ENABLE_TS2 costs 0 real_cost = -38.8744 Bilab-ENABLE_TS1-scwrl costs 0 real_cost = -96.6478 Bilab-ENABLE_TS1 costs 0 real_cost = -96.6478 BayesHH_TS1-scwrl costs 0 real_cost = -163.957 BayesHH_TS1 costs 0 real_cost = -166.199 ABIpro_TS5-scwrl costs 0 real_cost = 215.52 ABIpro_TS5 costs 0 real_cost = 216.106 ABIpro_TS4-scwrl costs 0 real_cost = 243.081 ABIpro_TS4 costs 0 real_cost = 243.069 ABIpro_TS3-scwrl costs 0 real_cost = 258.414 ABIpro_TS3 costs 0 real_cost = 258.414 ABIpro_TS2-scwrl costs 0 real_cost = 248.658 ABIpro_TS2 costs 0 real_cost = 248.517 ABIpro_TS1-scwrl costs 0 real_cost = 241.897 ABIpro_TS1 costs 0 real_cost = 241.874 3Dpro_TS5-scwrl costs 0 real_cost = 244.189 3Dpro_TS5 costs 0 real_cost = 242.772 3Dpro_TS4-scwrl costs 0 real_cost = 253.712 3Dpro_TS4 costs 0 real_cost = 256.94 3Dpro_TS3-scwrl costs 0 real_cost = 262.278 3Dpro_TS3 costs 0 real_cost = 260.066 3Dpro_TS2-scwrl costs 0 real_cost = 240.07 3Dpro_TS2 costs 0 real_cost = 241.365 3Dpro_TS1-scwrl costs 0 real_cost = -172.423 3Dpro_TS1 costs 0 real_cost = -166.808 3D-JIGSAW_TS5-scwrl costs 0 real_cost = 45.7241 3D-JIGSAW_TS5 costs 0 real_cost = 35.9795 3D-JIGSAW_TS4-scwrl costs 0 real_cost = 91.4088 3D-JIGSAW_TS4 costs 0 real_cost = 97.8835 3D-JIGSAW_TS3-scwrl costs 0 real_cost = 75.273 3D-JIGSAW_TS3 costs 0 real_cost = 72.0727 3D-JIGSAW_TS2-scwrl costs 0 real_cost = 66.0408 3D-JIGSAW_TS2 costs 0 real_cost = 63.8785 3D-JIGSAW_TS1-scwrl costs 0 real_cost = 129.543 3D-JIGSAW_TS1 costs 0 real_cost = 135.249 3D-JIGSAW_RECOM_TS5-scwrl costs 0 real_cost = -4.46056 3D-JIGSAW_RECOM_TS5 costs 0 real_cost = -7.10943 3D-JIGSAW_RECOM_TS4-scwrl costs 0 real_cost = -17.837 3D-JIGSAW_RECOM_TS4 costs 0 real_cost = -24.4137 3D-JIGSAW_RECOM_TS3-scwrl costs 0 real_cost = -0.989032 3D-JIGSAW_RECOM_TS3 costs 0 real_cost = -13.3081 3D-JIGSAW_RECOM_TS2-scwrl costs 0 real_cost = -20.7394 3D-JIGSAW_RECOM_TS2 costs 0 real_cost = -28.0921 3D-JIGSAW_RECOM_TS1-scwrl costs 0 real_cost = 25.1977 3D-JIGSAW_RECOM_TS1 costs 0 real_cost = 14.1565 3D-JIGSAW_POPULUS_TS5-scwrl costs 0 real_cost = -14.7478 3D-JIGSAW_POPULUS_TS5 costs 0 real_cost = -26.1988 3D-JIGSAW_POPULUS_TS4-scwrl costs 0 real_cost = 5.17006 3D-JIGSAW_POPULUS_TS4 costs 0 real_cost = -6.06266 3D-JIGSAW_POPULUS_TS3-scwrl costs 0 real_cost = -4.21084 3D-JIGSAW_POPULUS_TS3 costs 0 real_cost = -15.729 3D-JIGSAW_POPULUS_TS2-scwrl costs 0 real_cost = 18.0434 3D-JIGSAW_POPULUS_TS2 costs 0 real_cost = 7.10443 3D-JIGSAW_POPULUS_TS1-scwrl costs 0 real_cost = 17.2014 3D-JIGSAW_POPULUS_TS1 costs 0 real_cost = 6.23451 chimera2.pdb.gz costs 0 real_cost = -93.6756 chimera1.pdb.gz costs 0 real_cost = -132.021 T0303.try9-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -122.042 T0303.try9-opt2.pdb.gz costs 0 real_cost = -119.46 T0303.try9-opt2.gromacs0.pdb.gz costs 0 real_cost = -118.635 T0303.try9-opt1.pdb.gz costs 0 real_cost = -120.469 T0303.try9-opt1-scwrl.pdb.gz costs 0 real_cost = -125.39 T0303.try8-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -74.0394 T0303.try8-opt2.pdb.gz costs 0 real_cost = -76.0695 T0303.try8-opt2.gromacs0.pdb.gz costs 0 real_cost = -77.8188 T0303.try8-opt1.pdb.gz costs 0 real_cost = -84.4518 T0303.try8-opt1-scwrl.pdb.gz costs 0 real_cost = -83.9409 T0303.try7-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -124.606 T0303.try7-opt2.pdb.gz costs 0 real_cost = -122.428 T0303.try7-opt2.gromacs0.pdb.gz costs 0 real_cost = -120.561 T0303.try7-opt1.pdb.gz costs 0 real_cost = -132.704 T0303.try7-opt1-scwrl.pdb.gz costs 0 real_cost = -132.911 T0303.try6-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 117.692 T0303.try6-opt2.pdb.gz costs 0 real_cost = 117.958 T0303.try6-opt2.gromacs0.pdb.gz costs 0 real_cost = 113.653 T0303.try6-opt1.pdb.gz costs 0 real_cost = 110.541 T0303.try6-opt1-scwrl.pdb.gz costs 0 real_cost = 113.792 T0303.try5-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 26.5375 T0303.try5-opt2.pdb.gz costs 0 real_cost = 24.8287 T0303.try5-opt2.gromacs0.pdb.gz costs 0 real_cost = 28.0178 T0303.try5-opt1.pdb.gz costs 0 real_cost = 21.7191 T0303.try5-opt1-scwrl.pdb.gz costs 0 real_cost = 22.5489 T0303.try4-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -2.62927 T0303.try4-opt2.pdb.gz costs 0 real_cost = -2.11494 T0303.try4-opt2.gromacs0.pdb.gz costs 0 real_cost = 1.01776 T0303.try4-opt1.pdb.gz costs 0 real_cost = -5.83278 T0303.try4-opt1-scwrl.pdb.gz costs 0 real_cost = -6.43358 T0303.try3-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -165.195 T0303.try3-opt2.pdb.gz costs 0 real_cost = -164.903 T0303.try3-opt2.gromacs0.pdb.gz costs 0 real_cost = -167.815 T0303.try3-opt1.pdb.gz costs 0 real_cost = -170.573 T0303.try3-opt1-scwrl.pdb.gz costs 0 real_cost = -169.121 T0303.try2-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -18.6468 T0303.try2-opt2.pdb.gz costs 0 real_cost = -19.2467 T0303.try2-opt2.gromacs0.pdb.gz costs 0 real_cost = -17.4096 T0303.try2-opt1.pdb.gz costs 0 real_cost = -18.2775 T0303.try2-opt1-scwrl.pdb.gz costs 0 real_cost = -16.5196 T0303.try17-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -85.4487 T0303.try17-opt2.pdb.gz costs 0 real_cost = -79.9567 T0303.try17-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = -83.0429 T0303.try17-opt2.gromacs0.pdb.gz costs 0 real_cost = -78.8236 T0303.try17-opt1.pdb.gz costs 0 real_cost = -79.3125 T0303.try17-opt1-scwrl.pdb.gz costs 0 real_cost = -80.1176 T0303.try16-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -116.485 T0303.try16-opt2.pdb.gz costs 0 real_cost = -115.155 T0303.try16-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = -118.76 T0303.try16-opt2.gromacs0.pdb.gz costs 0 real_cost = -116.234 T0303.try16-opt1.pdb.gz costs 0 real_cost = -117.358 T0303.try16-opt1-scwrl.pdb.gz costs 0 real_cost = -123.589 T0303.try15-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -64.2082 T0303.try15-opt2.pdb.gz costs 0 real_cost = -64.1166 T0303.try15-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = -64.5469 T0303.try15-opt2.gromacs0.pdb.gz costs 0 real_cost = -64.992 T0303.try15-opt1.pdb.gz costs 0 real_cost = -67.8241 T0303.try15-opt1-scwrl.pdb.gz costs 0 real_cost = -65.4873 T0303.try14-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -145.291 T0303.try14-opt2.pdb.gz costs 0 real_cost = -142.092 T0303.try14-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = -143.589 T0303.try14-opt2.gromacs0.pdb.gz costs 0 real_cost = -141.825 T0303.try14-opt1.pdb.gz costs 0 real_cost = -138.623 T0303.try14-opt1-scwrl.pdb.gz costs 0 real_cost = -139.428 T0303.try13-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -148.067 T0303.try13-opt2.pdb.gz costs 0 real_cost = -144.541 T0303.try13-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = -142.66 T0303.try13-opt2.gromacs0.pdb.gz costs 0 real_cost = -139.393 T0303.try13-opt1.pdb.gz costs 0 real_cost = -147.555 T0303.try13-opt1-scwrl.pdb.gz costs 0 real_cost = -148.101 T0303.try12-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -143.022 T0303.try12-opt2.pdb.gz costs 0 real_cost = -138.981 T0303.try12-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = -145.396 T0303.try12-opt2.gromacs0.pdb.gz costs 0 real_cost = -138.53 T0303.try12-opt1.pdb.gz costs 0 real_cost = -140.092 T0303.try12-opt1-scwrl.pdb.gz costs 0 real_cost = -138.505 T0303.try11-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -7.23567 T0303.try11-opt2.pdb.gz costs 0 real_cost = -7.98104 T0303.try11-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = -5.64155 T0303.try11-opt2.gromacs0.pdb.gz costs 0 real_cost = -6.12425 T0303.try11-opt1.pdb.gz costs 0 real_cost = -8.48012 T0303.try11-opt1-scwrl.pdb.gz costs 0 real_cost = -9.03492 T0303.try10-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -79.3526 T0303.try10-opt2.pdb.gz costs 0 real_cost = -76.9169 T0303.try10-opt2.gromacs0.pdb.gz costs 0 real_cost = -79.7542 T0303.try10-opt1.pdb.gz costs 0 real_cost = -76.8485 T0303.try10-opt1-scwrl.pdb.gz costs 0 real_cost = -76.4697 T0303.try1-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -15.7545 T0303.try1-opt2.pdb.gz costs 0 real_cost = -16.4629 T0303.try1-opt1.pdb.gz costs 0 real_cost = -17.8864 T0303.try1-opt1-scwrl.pdb.gz costs 0 real_cost = -19.1833 ../model5.ts-submitted costs 0 real_cost = -81.3604 ../model4.ts-submitted costs 0 real_cost = -2.02196 ../model3.ts-submitted costs 0 real_cost = -165.204 ../model2.ts-submitted costs 0 real_cost = -76.9755 ../model1.ts-submitted costs 0 real_cost = -119.454 align5 costs 0 real_cost = 5.14794 align4 costs 0 real_cost = -60.1382 align3 costs 0 real_cost = -30.1311 align2 costs 0 real_cost = -30.3395 align1 costs 0 real_cost = -97.9115 T0303.try1-opt2.pdb costs 0 real_cost = -16.4569 model5-scwrl costs 0 real_cost = -22.3248 model5.ts-submitted costs 0 real_cost = -81.3604 model4-scwrl costs 0 real_cost = -1.77375 model4.ts-submitted costs 0 real_cost = -2.02196 model3-scwrl costs 0 real_cost = -167.937 model3.ts-submitted costs 0 real_cost = -165.204 model2-scwrl costs 0 real_cost = -77.9085 model2.ts-submitted costs 0 real_cost = -76.9755 model1-scwrl costs 0 real_cost = -124.184 model1.ts-submitted costs 0 real_cost = -119.459 2hszA costs 0 real_cost = -892.2 # command:CPU_time= 1686.3 sec, elapsed time= 1985.91 sec) # command:rm -f sort.tmp /projects/compbio/bin/sorttbl real_cost < decoys/evaluate.rdb > sort.tmp mv -f sort.tmp decoys/evaluate.rdb mv -f decoys/evaluate.pretty decoys/evaluate.pretty.old /projects/compbio/experiments/protein-predict/casp7/scripts/prettyscore -terse -targpfx -decpoint < decoys/evaluate.rdb > decoys/evaluate.pretty rm -f decoys/evaluate_1.rdb sed -e s/XXX0000/T0303/ -e s/START_COL/1/ \ -e s/REAL_PDB/2hszA/ \ -e s/_domain/_1/ \ -e s/read-pdb/read-pdb+servers/ \ -e 's/ReadConformPDBids/# ReadConformPDBids/' \ -e 's/# ReadConformPDB /ReadConformPDB /' \ -e 's/include COSTFCN.costfcn//' \ -e s/.COSTFCN// \ < /projects/compbio/experiments/protein-predict/casp7/starter-directory/evaluate.under \ | nice -2 /projects/compbio/programs/undertaker/undertaker # command:# Seed set to 1175487292 # command:# Prefix for input files set to /projects/compbio/experiments/undertaker/atoms-inputs/ # command:# reading monomeric-50pc.atoms # trans (non-proline) backbone unit: # CA= -2.2088 1.0126 -0.0031 # O= -0.1499 2.2440 0.0017 # C= -0.6889 1.1368 0.0000 # N+1= 0.0000 0.0000 0.0000 # CA+1= 1.4581 0.0000 0.0000 # cis backbone unit: # CA= -0.1462 2.4515 0.0018 # O= -2.0272 0.9713 0.0022 # C= -0.8006 1.0755 0.0000 # N+1= 0.0000 0.0000 0.0000 # CA+1= 1.4659 0.0000 0.0000 # trans backbone unit before proline: # CA= -2.2099 1.0634 -0.0014 # O= -0.1233 2.2459 0.0075 # C= -0.6871 1.1518 0.0000 # N+1= 0.0000 0.0000 0.0000 # CA+1= 1.4660 0.0000 0.0000 # After reading monomeric-50pc.atoms have 448 chains in training database # Count of chains,residues,atoms: 448,112605,876684 # 109826 residues have no bad marker # 665 residues lack atoms needed to compute omega # 322 residues have cis peptide # number of each bad type: # NON_STANDARD_RESIDUE 6 # HAS_OXT 325 # TOO_MANY_ATOMS 1 # TOO_FEW_ATOMS 523 # HAS_UNKNOWN_ATOMS 2 # HAS_DUPLICATE_ATOMS 0 # CHAIN_BREAK_BEFORE 208 # NON_PLANAR_PEPTIDE 143 # BAD_PEPTIDE 1959 # Note: may sum to more than number of residues, # because one residue may have multiple problems # command:# Reading rotamer library from dunbrack-1332.rot # command:# Prefix for input files set to /projects/compbio/experiments/undertaker/spots/ # command:# ReadAtomType exp-pdb.types Read AtomType exp-pdb with 49 types. # command:# ReadClashTable exp-pdb-2191-2symm.clash # Read ClashTable exp-pdb-2191-2symm checking bonds symmetric at MaxSep 2 # command:# command:CPU_time= 5.78912 sec, elapsed time= 5.87276 sec) # command:# Reading spots from monomeric-50pc-dry-5.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-dry-5.hist # created burial cost function dry5 with radius 5 with spots at monomeric-50pc-dry-5.spot # command:# Reading spots from monomeric-50pc-wet-6.5.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-wet-6.5.hist # created burial cost function wet6.5 with radius 6.5 with spots at monomeric-50pc-wet-6.5.spot # command:# Reading spots from monomeric-50pc-dry-6.5.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-dry-6.5.hist # created burial cost function dry6.5 with radius 6.5 with spots at monomeric-50pc-dry-6.5.spot # command:# Reading spots from monomeric-50pc-generic-6.5.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-generic-6.5.hist # created burial cost function gen6.5 with radius 6.5 with spots at monomeric-50pc-generic-6.5.spot # command:# Reading spots from near-backbone-center.spot # reading histogram from smoothed-near-backbone-2spot.hist # Reading spots from near-backbone-count.spot # created burial cost function near_backbone with radius 9.65 with spots at near-backbone-center.spot counting only near-backbone-count.spot # command:# Reading spots from way-back-center.spot # reading histogram from smoothed-way-back-2spot.hist # Reading spots from way-back-count.spot # created burial cost function way_back with radius 8.9 with spots at way-back-center.spot counting only way-back-count.spot # command:# Reading spots from monomeric-50pc-dry-8.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-dry-8.hist # created burial cost function dry8 with radius 8 with spots at monomeric-50pc-dry-8.spot # command:# Reading spots from monomeric-50pc-dry-10.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-dry-10.hist # created burial cost function dry10 with radius 10 with spots at monomeric-50pc-dry-10.spot # command:# Reading spots from monomeric-50pc-dry-12.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-dry-12.hist # created burial cost function dry12 with radius 12 with spots at monomeric-50pc-dry-12.spot # command:# reading histogram from dunbrack-2191-alpha.hist # created alpha cost function alpha with offset 0 and 360 bins # command:# reading histogram from dunbrack-2191-alpha-1.hist # created alpha cost function alpha_prev with offset -1 and 360 bins # command:# Prefix for input files set to /projects/compbio/lib/alphabet/ # command:# Read 3 alphabets from alpha.alphabet # command:CPU_time= 5.86411 sec, elapsed time= 5.9838 sec) # command:# Prefix for input files set to # command:# Making conformation for sequence T0303 numbered 1 through 224 Created new target T0303 from T0303.a2m # command:# command:# No conformations to remove in PopConform # command:# cleared Id set # command:# command:# ReadConformPDB reading from PDB file T0303_1.real.pdb looking for model 1 Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 21, because occupancy 5.0000000e-01 <= existing 0.500 in T0303_1.real.pdb Skipped atom 23, because occupancy 0.500 <= existing 0.500 in T0303_1.real.pdb Skipped atom 25, because occupancy 0.500 <= existing 0.500 in T0303_1.real.pdb Skipped atom 27, because occupancy 0.500 <= existing 0.500 in T0303_1.real.pdb Skipped atom 29, because occupancy 0.500 <= existing 0.500 in T0303_1.real.pdb Skipped atom 31, because occupancy 0.500 <= existing 0.500 in T0303_1.real.pdb Skipped atom 33, because occupancy 0.500 <= existing 0.500 in T0303_1.real.pdb Skipped atom 35, because occupancy 0.500 <= existing 0.500 in T0303_1.real.pdb Skipped atom 37, because occupancy 0.500 <= existing 0.500 in T0303_1.real.pdb Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M WARNING: atom 1777 has residue number 0 < previous residue 224 in T0303_1.real.pdb Skipped atom 1798, because occupancy 0.500 <= existing 0.500 in T0303_1.real.pdb Skipped atom 1802, because occupancy 0.500 <= existing 0.500 in T0303_1.real.pdb Skipped atom 1804, because occupancy 0.500 <= existing 0.500 in T0303_1.real.pdb Skipped atom 1806, because occupancy 0.500 <= existing 0.500 in T0303_1.real.pdb Skipped atom 1808, because occupancy 0.500 <= existing 0.500 in T0303_1.real.pdb Skipped atom 1810, because occupancy 0.500 <= existing 0.500 in T0303_1.real.pdb Skipped atom 2094, because occupancy 0.500 <= existing 0.500 in T0303_1.real.pdb Skipped atom 2098, because occupancy 0.500 <= existing 0.500 in T0303_1.real.pdb Skipped atom 2100, because occupancy 0.500 <= existing 0.500 in T0303_1.real.pdb Skipped atom 2102, because occupancy 0.500 <= existing 0.500 in T0303_1.real.pdb Skipped atom 2104, because occupancy 0.500 <= existing 0.500 in T0303_1.real.pdb Skipped atom 2201, because occupancy 0.500 <= existing 0.500 in T0303_1.real.pdb Skipped atom 2205, because occupancy 0.500 <= existing 0.500 in T0303_1.real.pdb Skipped atom 2207, because occupancy 0.500 <= existing 0.500 in T0303_1.real.pdb Skipped atom 2209, because occupancy 0.500 <= existing 0.500 in T0303_1.real.pdb Skipped atom 2211, because occupancy 0.500 <= existing 0.500 in T0303_1.real.pdb Skipped atom 2213, because occupancy 0.500 <= existing 0.500 in T0303_1.real.pdb Skipped atom 2232, because occupancy 0.500 <= existing 0.500 in T0303_1.real.pdb Skipped atom 2236, because occupancy 0.500 <= existing 0.500 in T0303_1.real.pdb Skipped atom 2238, because occupancy 0.500 <= existing 0.500 in T0303_1.real.pdb Skipped atom 2240, because occupancy 0.500 <= existing 0.500 in T0303_1.real.pdb # choosing archetypes in rotamer library # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # command:# Saving current conformation as real # command:# Prefix for output files set to decoys/ # command:# SetRealCost created real_cost = # ( 50 * real_hbond + 50 * real_hbond_u + 50 * decoy_hbond + 50 * decoy_hbond_u + 10 * real_NO_hbond + 10 * real_NO_hbond_u + 10 * decoy_NO_hbond + 10 * decoy_NO_hbond_u + 10 * knot + 200 * clens + 0 * rmsd + 35 * log_rmsd + 0 * rmsd_ca + 30 * log_rmsd_ca + 1 * GDT + 1 * smooth_GDT + 0.2 * missing_atoms ) # command:# SetCost created cost = # ) # command:CPU_time= 10.0315 sec, elapsed time= 10.1616 sec) # command:# Prefix for input files set to # command:# ReadConformPDB reading from PDB file model1.ts-submitted looking for model 1 # Found a chain break before 221 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -62.156 # GDT_score(maxd=8,maxw=2.9)= -64.1431 # GDT_score(maxd=8,maxw=3.2)= -60.9532 # GDT_score(maxd=8,maxw=3.5)= -57.7006 # GDT_score(maxd=10,maxw=3.8)= -60.8466 # GDT_score(maxd=10,maxw=4)= -58.795 # GDT_score(maxd=10,maxw=4.2)= -56.7669 # GDT_score(maxd=12,maxw=4.3)= -60.5699 # GDT_score(maxd=12,maxw=4.5)= -58.5741 # GDT_score(maxd=12,maxw=4.7)= -56.6561 # GDT_score(maxd=14,maxw=5.2)= -55.7841 # GDT_score(maxd=14,maxw=5.5)= -53.1473 # command:# Prefix for output files set to # command:superimposing iter= 0 total_weight= 2575.000 rmsd (weighted)= 10.497 (unweighted)= 12.449 superimposing iter= 1 total_weight= 10657.260 rmsd (weighted)= 3.249 (unweighted)= 12.601 superimposing iter= 2 total_weight= 4176.024 rmsd (weighted)= 1.983 (unweighted)= 12.670 superimposing iter= 3 total_weight= 2479.891 rmsd (weighted)= 1.599 (unweighted)= 12.726 superimposing iter= 4 total_weight= 2103.334 rmsd (weighted)= 1.414 (unweighted)= 12.768 superimposing iter= 5 total_weight= 1942.697 rmsd (weighted)= 1.308 (unweighted)= 12.798 # command:# Prefix for output files set to decoys/ # command:# request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1499824652.pdb -s /var/tmp/to_scwrl_1499824652.seq -o /var/tmp/from_scwrl_1499824652.pdb > /var/tmp/scwrl_1499824652.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1499824652.pdb # conformation set from SCWRL output # command:# naming current conformation model1-scwrl # command:# ReadConformPDB reading from PDB file model2.ts-submitted looking for model 1 # Found a chain break before 214 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -55.3899 # GDT_score(maxd=8,maxw=2.9)= -56.1866 # GDT_score(maxd=8,maxw=3.2)= -53.47 # GDT_score(maxd=8,maxw=3.5)= -50.9237 # GDT_score(maxd=10,maxw=3.8)= -54.2341 # GDT_score(maxd=10,maxw=4)= -52.5537 # GDT_score(maxd=10,maxw=4.2)= -50.9177 # GDT_score(maxd=12,maxw=4.3)= -54.621 # GDT_score(maxd=12,maxw=4.5)= -52.9834 # GDT_score(maxd=12,maxw=4.7)= -51.412 # GDT_score(maxd=14,maxw=5.2)= -51.172 # GDT_score(maxd=14,maxw=5.5)= -48.9889 # command:# request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1970412331.pdb -s /var/tmp/to_scwrl_1970412331.seq -o /var/tmp/from_scwrl_1970412331.pdb > /var/tmp/scwrl_1970412331.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1970412331.pdb # conformation set from SCWRL output # command:# naming current conformation model2-scwrl # command:# ReadConformPDB reading from PDB file model3.ts-submitted looking for model 1 # Found a chain break before 218 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -66.2844 # GDT_score(maxd=8,maxw=2.9)= -69.4286 # GDT_score(maxd=8,maxw=3.2)= -65.6186 # GDT_score(maxd=8,maxw=3.5)= -62.0032 # GDT_score(maxd=10,maxw=3.8)= -64.8955 # GDT_score(maxd=10,maxw=4)= -62.6019 # GDT_score(maxd=10,maxw=4.2)= -60.3694 # GDT_score(maxd=12,maxw=4.3)= -64.1304 # GDT_score(maxd=12,maxw=4.5)= -61.9646 # GDT_score(maxd=12,maxw=4.7)= -59.885 # GDT_score(maxd=14,maxw=5.2)= -58.6978 # GDT_score(maxd=14,maxw=5.5)= -55.9369 # command:# request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1228465395.pdb -s /var/tmp/to_scwrl_1228465395.seq -o /var/tmp/from_scwrl_1228465395.pdb > /var/tmp/scwrl_1228465395.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1228465395.pdb # conformation set from SCWRL output # command:# naming current conformation model3-scwrl # command:# ReadConformPDB reading from PDB file model4.ts-submitted looking for model 1 # Found a chain break before 214 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -49.4266 # GDT_score(maxd=8,maxw=2.9)= -49.6387 # GDT_score(maxd=8,maxw=3.2)= -47.4034 # GDT_score(maxd=8,maxw=3.5)= -45.219 # GDT_score(maxd=10,maxw=3.8)= -48.0104 # GDT_score(maxd=10,maxw=4)= -46.6001 # GDT_score(maxd=10,maxw=4.2)= -45.2223 # GDT_score(maxd=12,maxw=4.3)= -48.5482 # GDT_score(maxd=12,maxw=4.5)= -47.1602 # GDT_score(maxd=12,maxw=4.7)= -45.8247 # GDT_score(maxd=14,maxw=5.2)= -45.8104 # GDT_score(maxd=14,maxw=5.5)= -43.8688 # command:# request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_591872099.pdb -s /var/tmp/to_scwrl_591872099.seq -o /var/tmp/from_scwrl_591872099.pdb > /var/tmp/scwrl_591872099.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_591872099.pdb # conformation set from SCWRL output # command:# naming current conformation model4-scwrl # command:# ReadConformPDB reading from PDB file model5.ts-submitted looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # command:# fraction of real conformation used = 0.880734 # GDT_score = -62.0413 # GDT_score(maxd=8,maxw=2.9)= -66.1078 # GDT_score(maxd=8,maxw=3.2)= -62.3949 # GDT_score(maxd=8,maxw=3.5)= -58.7201 # GDT_score(maxd=10,maxw=3.8)= -61.0447 # GDT_score(maxd=10,maxw=4)= -58.7742 # GDT_score(maxd=10,maxw=4.2)= -56.5881 # GDT_score(maxd=12,maxw=4.3)= -59.922 # GDT_score(maxd=12,maxw=4.5)= -57.8135 # GDT_score(maxd=12,maxw=4.7)= -55.8275 # GDT_score(maxd=14,maxw=5.2)= -54.5992 # GDT_score(maxd=14,maxw=5.5)= -52.0217 # command:# request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1055951169.pdb -s /var/tmp/to_scwrl_1055951169.seq -o /var/tmp/from_scwrl_1055951169.pdb > /var/tmp/scwrl_1055951169.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1055951169.pdb # conformation set from SCWRL output # command:# naming current conformation model5-scwrl # command:# Prefix for input files set to decoys/ # command:# ReadConformPDB reading from PDB file T0303.try1-opt2.pdb looking for model 1 # Found a chain break before 214 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -52.1789 # GDT_score(maxd=8,maxw=2.9)= -51.8858 # GDT_score(maxd=8,maxw=3.2)= -49.7137 # GDT_score(maxd=8,maxw=3.5)= -47.4238 # GDT_score(maxd=10,maxw=3.8)= -50.2501 # GDT_score(maxd=10,maxw=4)= -48.702 # GDT_score(maxd=10,maxw=4.2)= -47.2021 # GDT_score(maxd=12,maxw=4.3)= -50.5799 # GDT_score(maxd=12,maxw=4.5)= -49.083 # GDT_score(maxd=12,maxw=4.7)= -47.6281 # GDT_score(maxd=14,maxw=5.2)= -47.4636 # GDT_score(maxd=14,maxw=5.5)= -45.4905 # command:# Prefix for output files set to # command:superimposing iter= 0 total_weight= 2575.000 rmsd (weighted)= 12.063 (unweighted)= 13.985 superimposing iter= 1 total_weight= 10310.173 rmsd (weighted)= 3.788 (unweighted)= 14.116 superimposing iter= 2 total_weight= 5758.008 rmsd (weighted)= 1.923 (unweighted)= 14.121 superimposing iter= 3 total_weight= 3159.993 rmsd (weighted)= 1.388 (unweighted)= 14.117 superimposing iter= 4 total_weight= 2114.549 rmsd (weighted)= 1.236 (unweighted)= 14.119 superimposing iter= 5 total_weight= 1867.543 rmsd (weighted)= 1.173 (unweighted)= 14.122 # command:# Prefix for output files set to decoys/ # command:# Prefix for input files set to # command:# ReadConformPDB reading from PDB file T0303.undertaker-align.pdb looking for model 1 WARNING: atoms too close: (T0303)Q56.C and (T0303)E67.C only 0.000 apart, marking (T0303)E67.C as missing WARNING: atoms too close: (T0303)R57.N and (T0303)K68.N only 0.000 apart, marking (T0303)R57.N as missing WARNING: atoms too close: (T0303)R57.CA and (T0303)K68.CA only 0.000 apart, marking (T0303)R57.CA as missing WARNING: atoms too close: (T0303)Q110.C and (T0303)G111.C only 0.000 apart, marking (T0303)G111.C as missing WARNING: atoms too close: (T0303)G111.N and (T0303)Y112.N only 0.000 apart, marking (T0303)G111.N as missing WARNING: atoms too close: (T0303)G111.CA and (T0303)Y112.CA only 0.000 apart, marking (T0303)G111.CA as missing WARNING: atoms too close: (T0303)K151.C and (T0303)H153.C only 0.000 apart, marking (T0303)H153.C as missing WARNING: atoms too close: (T0303)P152.N and (T0303)P154.N only 0.000 apart, marking (T0303)P152.N as missing WARNING: atoms too close: (T0303)P152.CA and (T0303)P154.CA only 0.000 apart, marking (T0303)P152.CA as missing # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # command:# naming current conformation align1 # command:# fraction of real conformation used = 0.90367 # GDT_score = -63.1881 # GDT_score(maxd=8,maxw=2.9)= -67.3946 # GDT_score(maxd=8,maxw=3.2)= -63.6494 # GDT_score(maxd=8,maxw=3.5)= -59.9214 # GDT_score(maxd=10,maxw=3.8)= -62.2723 # GDT_score(maxd=10,maxw=4)= -59.9581 # GDT_score(maxd=10,maxw=4.2)= -57.7338 # GDT_score(maxd=12,maxw=4.3)= -61.1164 # GDT_score(maxd=12,maxw=4.5)= -58.9714 # GDT_score(maxd=12,maxw=4.7)= -56.9253 # GDT_score(maxd=14,maxw=5.2)= -55.6184 # GDT_score(maxd=14,maxw=5.5)= -52.9872 # command:# ReadConformPDB reading from PDB file T0303.undertaker-align.pdb looking for model 2 WARNING: atoms too close: (T0303)D60.C and (T0303)A66.C only 0.000 apart, marking (T0303)A66.C as missing WARNING: atoms too close: (T0303)W61.N and (T0303)E67.N only 0.000 apart, marking (T0303)W61.N as missing WARNING: atoms too close: (T0303)W61.CA and (T0303)E67.CA only 0.000 apart, marking (T0303)W61.CA as missing WARNING: atoms too close: (T0303)S207.C and (T0303)K208.C only 0.000 apart, marking (T0303)K208.C as missing WARNING: atoms too close: (T0303)K208.N and (T0303)P209.N only 0.000 apart, marking (T0303)K208.N as missing WARNING: atoms too close: (T0303)K208.CA and (T0303)P209.CA only 0.000 apart, marking (T0303)K208.CA as missing # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # command:# naming current conformation align2 # command:# fraction of real conformation used = 0.908257 # GDT_score = -55.3899 # GDT_score(maxd=8,maxw=2.9)= -57.9103 # GDT_score(maxd=8,maxw=3.2)= -54.4737 # GDT_score(maxd=8,maxw=3.5)= -51.301 # GDT_score(maxd=10,maxw=3.8)= -54.3828 # GDT_score(maxd=10,maxw=4)= -52.3924 # GDT_score(maxd=10,maxw=4.2)= -50.5048 # GDT_score(maxd=12,maxw=4.3)= -54.1305 # GDT_score(maxd=12,maxw=4.5)= -52.2703 # GDT_score(maxd=12,maxw=4.7)= -50.4828 # GDT_score(maxd=14,maxw=5.2)= -49.7869 # GDT_score(maxd=14,maxw=5.5)= -47.447 # command:# ReadConformPDB reading from PDB file T0303.undertaker-align.pdb looking for model 3 WARNING: atoms too close: (T0303)D60.C and (T0303)T64.C only 0.000 apart, marking (T0303)T64.C as missing WARNING: atoms too close: (T0303)W61.N and (T0303)Q65.N only 0.000 apart, marking (T0303)W61.N as missing WARNING: atoms too close: (T0303)W61.CA and (T0303)Q65.CA only 0.000 apart, marking (T0303)W61.CA as missing WARNING: atoms too close: (T0303)L107.C and (T0303)Q110.C only 0.000 apart, marking (T0303)Q110.C as missing WARNING: atoms too close: (T0303)K108.N and (T0303)G111.N only 0.000 apart, marking (T0303)K108.N as missing WARNING: atoms too close: (T0303)K108.CA and (T0303)G111.CA only 0.000 apart, marking (T0303)K108.CA as missing WARNING: atoms too close: (T0303)T195.C and (T0303)Y196.C only 0.000 apart, marking (T0303)Y196.C as missing WARNING: atoms too close: (T0303)Y196.N and (T0303)G197.N only 0.000 apart, marking (T0303)Y196.N as missing WARNING: atoms too close: (T0303)Y196.CA and (T0303)G197.CA only 0.000 apart, marking (T0303)Y196.CA as missing # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # command:# naming current conformation align3 # command:# ReadConformPDB reading from PDB file T0303.undertaker-align.pdb looking for model 4 WARNING: atoms too close: (T0303)Y86.C and (T0303)L90.C only 0.000 apart, marking (T0303)L90.C as missing WARNING: atoms too close: (T0303)G87.N and (T0303)C91.N only 0.000 apart, marking (T0303)G87.N as missing WARNING: atoms too close: (T0303)G87.CA and (T0303)C91.CA only 0.000 apart, marking (T0303)G87.CA as missing WARNING: atoms too close: (T0303)Q110.C and (T0303)G111.C only 0.000 apart, marking (T0303)G111.C as missing WARNING: atoms too close: (T0303)G111.N and (T0303)Y112.N only 0.000 apart, marking (T0303)G111.N as missing WARNING: atoms too close: (T0303)G111.CA and (T0303)Y112.CA only 0.000 apart, marking (T0303)G111.CA as missing WARNING: atoms too close: (T0303)P203.C and (T0303)I204.C only 0.000 apart, marking (T0303)I204.C as missing WARNING: atoms too close: (T0303)I204.N and (T0303)A205.N only 0.000 apart, marking (T0303)I204.N as missing WARNING: atoms too close: (T0303)I204.CA and (T0303)A205.CA only 0.000 apart, marking (T0303)I204.CA as missing # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # command:# naming current conformation align4 # command:# ReadConformPDB reading from PDB file T0303.undertaker-align.pdb looking for model 5 WARNING: atoms too close: (T0303)L30.C and (T0303)S39.C only 0.000 apart, marking (T0303)S39.C as missing WARNING: atoms too close: (T0303)K31.N and (T0303)E40.N only 0.000 apart, marking (T0303)K31.N as missing WARNING: atoms too close: (T0303)K31.CA and (T0303)E40.CA only 0.000 apart, marking (T0303)K31.CA as missing WARNING: atoms too close: (T0303)F82.C and (T0303)C91.C only 0.000 apart, marking (T0303)C91.C as missing WARNING: atoms too close: (T0303)G83.N and (T0303)N92.N only 0.000 apart, marking (T0303)G83.N as missing WARNING: atoms too close: (T0303)G83.CA and (T0303)N92.CA only 0.000 apart, marking (T0303)G83.CA as missing WARNING: atoms too close: (T0303)P203.C and (T0303)I204.C only 0.000 apart, marking (T0303)I204.C as missing WARNING: atoms too close: (T0303)I204.N and (T0303)A205.N only 0.000 apart, marking (T0303)I204.N as missing WARNING: atoms too close: (T0303)I204.CA and (T0303)A205.CA only 0.000 apart, marking (T0303)I204.CA as missing # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # command:# naming current conformation align5 # command:# Prefix for input files set to decoys/ # command:# reading script from file read-pdb+servers.under # ReadConformPDB reading from PDB file ../model1.ts-submitted looking for model 1 # Found a chain break before 221 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model2.ts-submitted looking for model 1 # Found a chain break before 214 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model3.ts-submitted looking for model 1 # Found a chain break before 218 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model4.ts-submitted looking for model 1 # Found a chain break before 214 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model5.ts-submitted looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # ReadConformPDB reading from PDB file T0303.try1-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 214 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try1-opt1.pdb.gz looking for model 1 # Found a chain break before 214 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try1-opt2.gromacs0.pdb.gz looking for model 1 Error: Reading chain from PDB file T0303.try1-opt2.gromacs0.pdb.gz failed. # ReadConformPDB reading from PDB file T0303.try1-opt2.pdb.gz looking for model 1 # Found a chain break before 214 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try1-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 214 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try10-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 214 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try10-opt1.pdb.gz looking for model 1 # Found a chain break before 214 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try10-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 210 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try10-opt2.pdb.gz looking for model 1 # Found a chain break before 214 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try10-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 214 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try11-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 208 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try11-opt1.pdb.gz looking for model 1 # Found a chain break before 208 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try11-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 209 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try11-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 209 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try11-opt2.pdb.gz looking for model 1 # Found a chain break before 221 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try11-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 221 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try12-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 218 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try12-opt1.pdb.gz looking for model 1 # Found a chain break before 218 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try12-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 154 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try12-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 154 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try12-opt2.pdb.gz looking for model 1 # Found a chain break before 218 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try12-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 218 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try13-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 218 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try13-opt1.pdb.gz looking for model 1 # Found a chain break before 218 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try13-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 176 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try13-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 176 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try13-opt2.pdb.gz looking for model 1 # Found a chain break before 221 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try13-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 221 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try14-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 218 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try14-opt1.pdb.gz looking for model 1 # Found a chain break before 218 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try14-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 219 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try14-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 219 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try14-opt2.pdb.gz looking for model 1 # Found a chain break before 221 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try14-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 221 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try15-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 210 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try15-opt1.pdb.gz looking for model 1 # Found a chain break before 210 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try15-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 215 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try15-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 215 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try15-opt2.pdb.gz looking for model 1 # Found a chain break before 210 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try15-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 210 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try16-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 221 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try16-opt1.pdb.gz looking for model 1 # Found a chain break before 221 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try16-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 196 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try16-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 196 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try16-opt2.pdb.gz looking for model 1 # Found a chain break before 221 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try16-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 221 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try17-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 210 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try17-opt1.pdb.gz looking for model 1 # Found a chain break before 210 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try17-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 215 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try17-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 215 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try17-opt2.pdb.gz looking for model 1 # Found a chain break before 210 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try17-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 210 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try2-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 214 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try2-opt1.pdb.gz looking for model 1 # Found a chain break before 214 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try2-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 209 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try2-opt2.pdb.gz looking for model 1 # Found a chain break before 214 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try2-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 214 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try3-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 218 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try3-opt1.pdb.gz looking for model 1 # Found a chain break before 218 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try3-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 176 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try3-opt2.pdb.gz looking for model 1 # Found a chain break before 218 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try3-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 218 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try4-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 214 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try4-opt1.pdb.gz looking for model 1 # Found a chain break before 214 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try4-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 210 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try4-opt2.pdb.gz looking for model 1 # Found a chain break before 214 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try4-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 214 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try5-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 217 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try5-opt1.pdb.gz looking for model 1 # Found a chain break before 217 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try5-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 160 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try5-opt2.pdb.gz looking for model 1 # Found a chain break before 210 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try5-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 210 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try6-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 207 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try6-opt1.pdb.gz looking for model 1 # Found a chain break before 207 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try6-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 208 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try6-opt2.pdb.gz looking for model 1 # Found a chain break before 207 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try6-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 207 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try7-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 222 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try7-opt1.pdb.gz looking for model 1 # Found a chain break before 222 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try7-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 126 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try7-opt2.pdb.gz looking for model 1 # Found a chain break before 222 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try7-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 222 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try8-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 214 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try8-opt1.pdb.gz looking for model 1 # Found a chain break before 214 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try8-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 210 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try8-opt2.pdb.gz looking for model 1 # Found a chain break before 214 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try8-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 214 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try9-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 218 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try9-opt1.pdb.gz looking for model 1 # Found a chain break before 218 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try9-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 197 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try9-opt2.pdb.gz looking for model 1 # Found a chain break before 221 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try9-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 221 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file chimera1.pdb.gz looking for model 1 # Found a chain break before 218 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file chimera2.pdb.gz looking for model 1 # Found a chain break before 214 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1867483804.pdb -s /var/tmp/to_scwrl_1867483804.seq -o /var/tmp/from_scwrl_1867483804.pdb > /var/tmp/scwrl_1867483804.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1867483804.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_POPULUS_TS1-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1816964818.pdb -s /var/tmp/to_scwrl_1816964818.seq -o /var/tmp/from_scwrl_1816964818.pdb > /var/tmp/scwrl_1816964818.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1816964818.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_POPULUS_TS2-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_239323590.pdb -s /var/tmp/to_scwrl_239323590.seq -o /var/tmp/from_scwrl_239323590.pdb > /var/tmp/scwrl_239323590.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_239323590.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_POPULUS_TS3-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1342262942.pdb -s /var/tmp/to_scwrl_1342262942.seq -o /var/tmp/from_scwrl_1342262942.pdb > /var/tmp/scwrl_1342262942.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1342262942.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_POPULUS_TS4-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_184295246.pdb -s /var/tmp/to_scwrl_184295246.seq -o /var/tmp/from_scwrl_184295246.pdb > /var/tmp/scwrl_184295246.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_184295246.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_POPULUS_TS5-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_793370751.pdb -s /var/tmp/to_scwrl_793370751.seq -o /var/tmp/from_scwrl_793370751.pdb > /var/tmp/scwrl_793370751.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_793370751.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_RECOM_TS1-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1387066922.pdb -s /var/tmp/to_scwrl_1387066922.seq -o /var/tmp/from_scwrl_1387066922.pdb > /var/tmp/scwrl_1387066922.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1387066922.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_RECOM_TS2-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_277357185.pdb -s /var/tmp/to_scwrl_277357185.seq -o /var/tmp/from_scwrl_277357185.pdb > /var/tmp/scwrl_277357185.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_277357185.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_RECOM_TS3-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_771930061.pdb -s /var/tmp/to_scwrl_771930061.seq -o /var/tmp/from_scwrl_771930061.pdb > /var/tmp/scwrl_771930061.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_771930061.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_RECOM_TS4-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_360530055.pdb -s /var/tmp/to_scwrl_360530055.seq -o /var/tmp/from_scwrl_360530055.pdb > /var/tmp/scwrl_360530055.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_360530055.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_RECOM_TS5-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1666324902.pdb -s /var/tmp/to_scwrl_1666324902.seq -o /var/tmp/from_scwrl_1666324902.pdb > /var/tmp/scwrl_1666324902.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1666324902.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_TS1-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1371881350.pdb -s /var/tmp/to_scwrl_1371881350.seq -o /var/tmp/from_scwrl_1371881350.pdb > /var/tmp/scwrl_1371881350.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1371881350.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_TS2-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_528054535.pdb -s /var/tmp/to_scwrl_528054535.seq -o /var/tmp/from_scwrl_528054535.pdb > /var/tmp/scwrl_528054535.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_528054535.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_TS3-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1672620513.pdb -s /var/tmp/to_scwrl_1672620513.seq -o /var/tmp/from_scwrl_1672620513.pdb > /var/tmp/scwrl_1672620513.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1672620513.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_TS4-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_634371580.pdb -s /var/tmp/to_scwrl_634371580.seq -o /var/tmp/from_scwrl_634371580.pdb > /var/tmp/scwrl_634371580.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_634371580.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_TS5-scwrl # ReadConformPDB reading from PDB file servers/3Dpro_TS1.pdb.gz looking for model 1 # Found a chain break before 208 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_671294931.pdb -s /var/tmp/to_scwrl_671294931.seq -o /var/tmp/from_scwrl_671294931.pdb > /var/tmp/scwrl_671294931.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_671294931.pdb # conformation set from SCWRL output # naming current conformation 3Dpro_TS1-scwrl # ReadConformPDB reading from PDB file servers/3Dpro_TS2.pdb.gz looking for model 1 # Found a chain break before 220 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_912395826.pdb -s /var/tmp/to_scwrl_912395826.seq -o /var/tmp/from_scwrl_912395826.pdb > /var/tmp/scwrl_912395826.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_912395826.pdb # conformation set from SCWRL output # naming current conformation 3Dpro_TS2-scwrl # ReadConformPDB reading from PDB file servers/3Dpro_TS3.pdb.gz looking for model 1 # Found a chain break before 217 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1666780492.pdb -s /var/tmp/to_scwrl_1666780492.seq -o /var/tmp/from_scwrl_1666780492.pdb > /var/tmp/scwrl_1666780492.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1666780492.pdb # conformation set from SCWRL output # naming current conformation 3Dpro_TS3-scwrl # ReadConformPDB reading from PDB file servers/3Dpro_TS4.pdb.gz looking for model 1 # Found a chain break before 213 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_787818847.pdb -s /var/tmp/to_scwrl_787818847.seq -o /var/tmp/from_scwrl_787818847.pdb > /var/tmp/scwrl_787818847.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_787818847.pdb # conformation set from SCWRL output # naming current conformation 3Dpro_TS4-scwrl # ReadConformPDB reading from PDB file servers/3Dpro_TS5.pdb.gz looking for model 1 # Found a chain break before 196 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1603798226.pdb -s /var/tmp/to_scwrl_1603798226.seq -o /var/tmp/from_scwrl_1603798226.pdb > /var/tmp/scwrl_1603798226.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1603798226.pdb # conformation set from SCWRL output # naming current conformation 3Dpro_TS5-scwrl # ReadConformPDB reading from PDB file servers/ABIpro_TS1.pdb.gz looking for model 1 # Found a chain break before 208 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_2112027148.pdb -s /var/tmp/to_scwrl_2112027148.seq -o /var/tmp/from_scwrl_2112027148.pdb > /var/tmp/scwrl_2112027148.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2112027148.pdb # conformation set from SCWRL output # naming current conformation ABIpro_TS1-scwrl # ReadConformPDB reading from PDB file servers/ABIpro_TS2.pdb.gz looking for model 1 # Found a chain break before 214 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1205994810.pdb -s /var/tmp/to_scwrl_1205994810.seq -o /var/tmp/from_scwrl_1205994810.pdb > /var/tmp/scwrl_1205994810.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1205994810.pdb # conformation set from SCWRL output # naming current conformation ABIpro_TS2-scwrl # ReadConformPDB reading from PDB file servers/ABIpro_TS3.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_826797563.pdb -s /var/tmp/to_scwrl_826797563.seq -o /var/tmp/from_scwrl_826797563.pdb > /var/tmp/scwrl_826797563.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_826797563.pdb # conformation set from SCWRL output # naming current conformation ABIpro_TS3-scwrl # ReadConformPDB reading from PDB file servers/ABIpro_TS4.pdb.gz looking for model 1 # Found a chain break before 212 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1550061362.pdb -s /var/tmp/to_scwrl_1550061362.seq -o /var/tmp/from_scwrl_1550061362.pdb > /var/tmp/scwrl_1550061362.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1550061362.pdb # conformation set from SCWRL output # naming current conformation ABIpro_TS4-scwrl # ReadConformPDB reading from PDB file servers/ABIpro_TS5.pdb.gz looking for model 1 # Found a chain break before 218 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_482292406.pdb -s /var/tmp/to_scwrl_482292406.seq -o /var/tmp/from_scwrl_482292406.pdb > /var/tmp/scwrl_482292406.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_482292406.pdb # conformation set from SCWRL output # naming current conformation ABIpro_TS5-scwrl # ReadConformPDB reading from PDB file servers/BayesHH_TS1.pdb.gz looking for model 1 # Found a chain break before 217 # copying to AlignedFragments data structure # naming current conformation BayesHH_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_815750353.pdb -s /var/tmp/to_scwrl_815750353.seq -o /var/tmp/from_scwrl_815750353.pdb > /var/tmp/scwrl_815750353.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_815750353.pdb # conformation set from SCWRL output # naming current conformation BayesHH_TS1-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS1.pdb.gz looking for model 1 # Found a chain break before 200 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_902402368.pdb -s /var/tmp/to_scwrl_902402368.seq -o /var/tmp/from_scwrl_902402368.pdb > /var/tmp/scwrl_902402368.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_902402368.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS1-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS2.pdb.gz looking for model 1 # Found a chain break before 199 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_305221090.pdb -s /var/tmp/to_scwrl_305221090.seq -o /var/tmp/from_scwrl_305221090.pdb > /var/tmp/scwrl_305221090.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_305221090.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS2-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS3.pdb.gz looking for model 1 # Found a chain break before 188 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_2044215748.pdb -s /var/tmp/to_scwrl_2044215748.seq -o /var/tmp/from_scwrl_2044215748.pdb > /var/tmp/scwrl_2044215748.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2044215748.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS3-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS4.pdb.gz looking for model 1 # Found a chain break before 199 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1494274467.pdb -s /var/tmp/to_scwrl_1494274467.seq -o /var/tmp/from_scwrl_1494274467.pdb > /var/tmp/scwrl_1494274467.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1494274467.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS4-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS5.pdb.gz looking for model 1 # Found a chain break before 176 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1361172258.pdb -s /var/tmp/to_scwrl_1361172258.seq -o /var/tmp/from_scwrl_1361172258.pdb > /var/tmp/scwrl_1361172258.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1361172258.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS5-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS1.pdb.gz looking for model 1 # Found a chain break before 161 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1764215906.pdb -s /var/tmp/to_scwrl_1764215906.seq -o /var/tmp/from_scwrl_1764215906.pdb > /var/tmp/scwrl_1764215906.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1764215906.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS1-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS2.pdb.gz looking for model 1 # Found a chain break before 223 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1163755638.pdb -s /var/tmp/to_scwrl_1163755638.seq -o /var/tmp/from_scwrl_1163755638.pdb > /var/tmp/scwrl_1163755638.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1163755638.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS2-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS3.pdb.gz looking for model 1 # Found a chain break before 217 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1600495849.pdb -s /var/tmp/to_scwrl_1600495849.seq -o /var/tmp/from_scwrl_1600495849.pdb > /var/tmp/scwrl_1600495849.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1600495849.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS3-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS4.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_958995202.pdb -s /var/tmp/to_scwrl_958995202.seq -o /var/tmp/from_scwrl_958995202.pdb > /var/tmp/scwrl_958995202.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_958995202.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS4-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS5.pdb.gz looking for model 1 # Found a chain break before 200 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1348050884.pdb -s /var/tmp/to_scwrl_1348050884.seq -o /var/tmp/from_scwrl_1348050884.pdb > /var/tmp/scwrl_1348050884.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1348050884.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS5-scwrl # ReadConformPDB reading from PDB file servers/CPHmodels_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation CPHmodels_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_246382953.pdb -s /var/tmp/to_scwrl_246382953.seq -o /var/tmp/from_scwrl_246382953.pdb > /var/tmp/scwrl_246382953.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_246382953.pdb # conformation set from SCWRL output # naming current conformation CPHmodels_TS1-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_198578478.pdb -s /var/tmp/to_scwrl_198578478.seq -o /var/tmp/from_scwrl_198578478.pdb > /var/tmp/scwrl_198578478.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_198578478.pdb # conformation set from SCWRL output # naming current conformation CaspIta-FOX_TS1-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation CaspIta-FOX_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1625408069.pdb -s /var/tmp/to_scwrl_1625408069.seq -o /var/tmp/from_scwrl_1625408069.pdb > /var/tmp/scwrl_1625408069.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1625408069.pdb # conformation set from SCWRL output # naming current conformation CaspIta-FOX_TS2-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1018313014.pdb -s /var/tmp/to_scwrl_1018313014.seq -o /var/tmp/from_scwrl_1018313014.pdb > /var/tmp/scwrl_1018313014.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1018313014.pdb # conformation set from SCWRL output # naming current conformation CaspIta-FOX_TS3-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation CaspIta-FOX_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_559108533.pdb -s /var/tmp/to_scwrl_559108533.seq -o /var/tmp/from_scwrl_559108533.pdb > /var/tmp/scwrl_559108533.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_559108533.pdb # conformation set from SCWRL output # naming current conformation CaspIta-FOX_TS4-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1144249324.pdb -s /var/tmp/to_scwrl_1144249324.seq -o /var/tmp/from_scwrl_1144249324.pdb > /var/tmp/scwrl_1144249324.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1144249324.pdb # conformation set from SCWRL output # naming current conformation CaspIta-FOX_TS5-scwrl # ReadConformPDB reading from PDB file servers/Distill_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation Distill_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_242710718.pdb -s /var/tmp/to_scwrl_242710718.seq -o /var/tmp/from_scwrl_242710718.pdb > /var/tmp/scwrl_242710718.log Error: Couldn't open file /var/tmp/from_scwrl_242710718.pdb or /var/tmp/from_scwrl_242710718.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_242710718_b.pdb or decoys//var/tmp/from_scwrl_242710718_b.pdb.gz for input Trying /var/tmp/from_scwrl_242710718_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_242710718_b.pdb or /var/tmp/from_scwrl_242710718_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_242710718_a.pdb or decoys//var/tmp/from_scwrl_242710718_a.pdb.gz for input Trying /var/tmp/from_scwrl_242710718_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_242710718_a.pdb or /var/tmp/from_scwrl_242710718_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_242710718.pdb or /var/tmp/from_scwrl_242710718_b.pdb or /var/tmp/from_scwrl_242710718_a.pdb Error: no new SCWRL conformation added # naming current conformation Distill_TS1-scwrl # ReadConformPDB reading from PDB file servers/Distill_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation Distill_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1087163068.pdb -s /var/tmp/to_scwrl_1087163068.seq -o /var/tmp/from_scwrl_1087163068.pdb > /var/tmp/scwrl_1087163068.log Error: Couldn't open file /var/tmp/from_scwrl_1087163068.pdb or /var/tmp/from_scwrl_1087163068.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1087163068_b.pdb or decoys//var/tmp/from_scwrl_1087163068_b.pdb.gz for input Trying /var/tmp/from_scwrl_1087163068_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1087163068_b.pdb or /var/tmp/from_scwrl_1087163068_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1087163068_a.pdb or decoys//var/tmp/from_scwrl_1087163068_a.pdb.gz for input Trying /var/tmp/from_scwrl_1087163068_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1087163068_a.pdb or /var/tmp/from_scwrl_1087163068_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1087163068.pdb or /var/tmp/from_scwrl_1087163068_b.pdb or /var/tmp/from_scwrl_1087163068_a.pdb Error: no new SCWRL conformation added # naming current conformation Distill_TS2-scwrl # ReadConformPDB reading from PDB file servers/Distill_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation Distill_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_669386192.pdb -s /var/tmp/to_scwrl_669386192.seq -o /var/tmp/from_scwrl_669386192.pdb > /var/tmp/scwrl_669386192.log Error: Couldn't open file /var/tmp/from_scwrl_669386192.pdb or /var/tmp/from_scwrl_669386192.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_669386192_b.pdb or decoys//var/tmp/from_scwrl_669386192_b.pdb.gz for input Trying /var/tmp/from_scwrl_669386192_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_669386192_b.pdb or /var/tmp/from_scwrl_669386192_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_669386192_a.pdb or decoys//var/tmp/from_scwrl_669386192_a.pdb.gz for input Trying /var/tmp/from_scwrl_669386192_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_669386192_a.pdb or /var/tmp/from_scwrl_669386192_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_669386192.pdb or /var/tmp/from_scwrl_669386192_b.pdb or /var/tmp/from_scwrl_669386192_a.pdb Error: no new SCWRL conformation added # naming current conformation Distill_TS3-scwrl # ReadConformPDB reading from PDB file servers/Distill_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation Distill_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_877082298.pdb -s /var/tmp/to_scwrl_877082298.seq -o /var/tmp/from_scwrl_877082298.pdb > /var/tmp/scwrl_877082298.log Error: Couldn't open file /var/tmp/from_scwrl_877082298.pdb or /var/tmp/from_scwrl_877082298.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_877082298_b.pdb or decoys//var/tmp/from_scwrl_877082298_b.pdb.gz for input Trying /var/tmp/from_scwrl_877082298_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_877082298_b.pdb or /var/tmp/from_scwrl_877082298_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_877082298_a.pdb or decoys//var/tmp/from_scwrl_877082298_a.pdb.gz for input Trying /var/tmp/from_scwrl_877082298_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_877082298_a.pdb or /var/tmp/from_scwrl_877082298_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_877082298.pdb or /var/tmp/from_scwrl_877082298_b.pdb or /var/tmp/from_scwrl_877082298_a.pdb Error: no new SCWRL conformation added # naming current conformation Distill_TS4-scwrl # ReadConformPDB reading from PDB file servers/Distill_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation Distill_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1758457999.pdb -s /var/tmp/to_scwrl_1758457999.seq -o /var/tmp/from_scwrl_1758457999.pdb > /var/tmp/scwrl_1758457999.log Error: Couldn't open file /var/tmp/from_scwrl_1758457999.pdb or /var/tmp/from_scwrl_1758457999.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1758457999_b.pdb or decoys//var/tmp/from_scwrl_1758457999_b.pdb.gz for input Trying /var/tmp/from_scwrl_1758457999_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1758457999_b.pdb or /var/tmp/from_scwrl_1758457999_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1758457999_a.pdb or decoys//var/tmp/from_scwrl_1758457999_a.pdb.gz for input Trying /var/tmp/from_scwrl_1758457999_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1758457999_a.pdb or /var/tmp/from_scwrl_1758457999_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1758457999.pdb or /var/tmp/from_scwrl_1758457999_b.pdb or /var/tmp/from_scwrl_1758457999_a.pdb Error: no new SCWRL conformation added # naming current conformation Distill_TS5-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS1.pdb.gz looking for model 1 # Found a chain break before 161 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1581782017.pdb -s /var/tmp/to_scwrl_1581782017.seq -o /var/tmp/from_scwrl_1581782017.pdb > /var/tmp/scwrl_1581782017.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1581782017.pdb # conformation set from SCWRL output # naming current conformation FAMSD_TS1-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation FAMSD_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_396379144.pdb -s /var/tmp/to_scwrl_396379144.seq -o /var/tmp/from_scwrl_396379144.pdb > /var/tmp/scwrl_396379144.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_396379144.pdb # conformation set from SCWRL output # naming current conformation FAMSD_TS2-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS3.pdb.gz looking for model 1 # Found a chain break before 200 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_398793199.pdb -s /var/tmp/to_scwrl_398793199.seq -o /var/tmp/from_scwrl_398793199.pdb > /var/tmp/scwrl_398793199.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_398793199.pdb # conformation set from SCWRL output # naming current conformation FAMSD_TS3-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS4.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1038096597.pdb -s /var/tmp/to_scwrl_1038096597.seq -o /var/tmp/from_scwrl_1038096597.pdb > /var/tmp/scwrl_1038096597.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1038096597.pdb # conformation set from SCWRL output # naming current conformation FAMSD_TS4-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS5.pdb.gz looking for model 1 # Found a chain break before 215 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_360922645.pdb -s /var/tmp/to_scwrl_360922645.seq -o /var/tmp/from_scwrl_360922645.pdb > /var/tmp/scwrl_360922645.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_360922645.pdb # conformation set from SCWRL output # naming current conformation FAMSD_TS5-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS1.pdb.gz looking for model 1 # Found a chain break before 221 # copying to AlignedFragments data structure # naming current conformation FAMS_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1604788009.pdb -s /var/tmp/to_scwrl_1604788009.seq -o /var/tmp/from_scwrl_1604788009.pdb > /var/tmp/scwrl_1604788009.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1604788009.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS1-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS2.pdb.gz looking for model 1 # Found a chain break before 161 # copying to AlignedFragments data structure # naming current conformation FAMS_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1864894159.pdb -s /var/tmp/to_scwrl_1864894159.seq -o /var/tmp/from_scwrl_1864894159.pdb > /var/tmp/scwrl_1864894159.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1864894159.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS2-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS3.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # naming current conformation FAMS_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1910984008.pdb -s /var/tmp/to_scwrl_1910984008.seq -o /var/tmp/from_scwrl_1910984008.pdb > /var/tmp/scwrl_1910984008.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1910984008.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS3-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS4.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # naming current conformation FAMS_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_2087080415.pdb -s /var/tmp/to_scwrl_2087080415.seq -o /var/tmp/from_scwrl_2087080415.pdb > /var/tmp/scwrl_2087080415.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2087080415.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS4-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS5.pdb.gz looking for model 1 # Found a chain break before 217 # copying to AlignedFragments data structure # naming current conformation FAMS_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_533160865.pdb -s /var/tmp/to_scwrl_533160865.seq -o /var/tmp/from_scwrl_533160865.pdb > /var/tmp/scwrl_533160865.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_533160865.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS5-scwrl # ReadConformPDB reading from PDB file servers/FOLDpro_TS1.pdb.gz looking for model 1 # Found a chain break before 207 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_665902729.pdb -s /var/tmp/to_scwrl_665902729.seq -o /var/tmp/from_scwrl_665902729.pdb > /var/tmp/scwrl_665902729.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_665902729.pdb # conformation set from SCWRL output # naming current conformation FOLDpro_TS1-scwrl # ReadConformPDB reading from PDB file servers/FOLDpro_TS2.pdb.gz looking for model 1 # Found a chain break before 216 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_244817859.pdb -s /var/tmp/to_scwrl_244817859.seq -o /var/tmp/from_scwrl_244817859.pdb > /var/tmp/scwrl_244817859.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_244817859.pdb # conformation set from SCWRL output # naming current conformation FOLDpro_TS2-scwrl # ReadConformPDB reading from PDB file servers/FOLDpro_TS3.pdb.gz looking for model 1 # Found a chain break before 215 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_429892966.pdb -s /var/tmp/to_scwrl_429892966.seq -o /var/tmp/from_scwrl_429892966.pdb > /var/tmp/scwrl_429892966.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_429892966.pdb # conformation set from SCWRL output # naming current conformation FOLDpro_TS3-scwrl # ReadConformPDB reading from PDB file servers/FOLDpro_TS4.pdb.gz looking for model 1 # Found a chain break before 221 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_12693549.pdb -s /var/tmp/to_scwrl_12693549.seq -o /var/tmp/from_scwrl_12693549.pdb > /var/tmp/scwrl_12693549.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_12693549.pdb # conformation set from SCWRL output # naming current conformation FOLDpro_TS4-scwrl # ReadConformPDB reading from PDB file servers/FOLDpro_TS5.pdb.gz looking for model 1 # Found a chain break before 176 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1605990117.pdb -s /var/tmp/to_scwrl_1605990117.seq -o /var/tmp/from_scwrl_1605990117.pdb > /var/tmp/scwrl_1605990117.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1605990117.pdb # conformation set from SCWRL output # naming current conformation FOLDpro_TS5-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL1.pdb.gz looking for model 1 Skipped atom 38, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 40, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 42, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 44, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 102, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 104, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 106, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 108, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 210, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 212, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 214, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 216, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 266, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 268, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 270, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 272, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 510, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 512, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 514, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 516, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation FORTE1_AL1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_46625225.pdb -s /var/tmp/to_scwrl_46625225.seq -o /var/tmp/from_scwrl_46625225.pdb > /var/tmp/scwrl_46625225.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_46625225.pdb # conformation set from SCWRL output # naming current conformation FORTE1_AL1-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1176449188.pdb -s /var/tmp/to_scwrl_1176449188.seq -o /var/tmp/from_scwrl_1176449188.pdb > /var/tmp/scwrl_1176449188.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1176449188.pdb # conformation set from SCWRL output # naming current conformation FORTE1_AL2-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation FORTE1_AL3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1059002320.pdb -s /var/tmp/to_scwrl_1059002320.seq -o /var/tmp/from_scwrl_1059002320.pdb > /var/tmp/scwrl_1059002320.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1059002320.pdb # conformation set from SCWRL output # naming current conformation FORTE1_AL3-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL4.pdb.gz looking for model 1 Skipped atom 830, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 832, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 834, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 836, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 838, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 840, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 842, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 844, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 846, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 848, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 850, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 852, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 854, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 856, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 858, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 860, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 862, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 864, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 866, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 868, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 870, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 872, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 874, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 876, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1005620428.pdb -s /var/tmp/to_scwrl_1005620428.seq -o /var/tmp/from_scwrl_1005620428.pdb > /var/tmp/scwrl_1005620428.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1005620428.pdb # conformation set from SCWRL output # naming current conformation FORTE1_AL4-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation FORTE1_AL5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_377016426.pdb -s /var/tmp/to_scwrl_377016426.seq -o /var/tmp/from_scwrl_377016426.pdb > /var/tmp/scwrl_377016426.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_377016426.pdb # conformation set from SCWRL output # naming current conformation FORTE1_AL5-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL1.pdb.gz looking for model 1 Skipped atom 38, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 40, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 42, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 44, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 102, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 104, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 106, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 108, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 210, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 212, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 214, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 216, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 266, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 268, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 270, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 272, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 510, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 512, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 514, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 516, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation FORTE2_AL1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1305385272.pdb -s /var/tmp/to_scwrl_1305385272.seq -o /var/tmp/from_scwrl_1305385272.pdb > /var/tmp/scwrl_1305385272.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1305385272.pdb # conformation set from SCWRL output # naming current conformation FORTE2_AL1-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation FORTE2_AL2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1204198905.pdb -s /var/tmp/to_scwrl_1204198905.seq -o /var/tmp/from_scwrl_1204198905.pdb > /var/tmp/scwrl_1204198905.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1204198905.pdb # conformation set from SCWRL output # naming current conformation FORTE2_AL2-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE2_AL3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_2002424496.pdb -s /var/tmp/to_scwrl_2002424496.seq -o /var/tmp/from_scwrl_2002424496.pdb > /var/tmp/scwrl_2002424496.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2002424496.pdb # conformation set from SCWRL output # naming current conformation FORTE2_AL3-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL4.pdb.gz looking for model 1 Skipped atom 830, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 832, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 834, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 836, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 838, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 840, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 842, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 844, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 846, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 848, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 850, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 852, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 854, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 856, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 858, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 860, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 862, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 864, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 866, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 868, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 870, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 872, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 874, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 876, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE2_AL4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_176214640.pdb -s /var/tmp/to_scwrl_176214640.seq -o /var/tmp/from_scwrl_176214640.pdb > /var/tmp/scwrl_176214640.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_176214640.pdb # conformation set from SCWRL output # naming current conformation FORTE2_AL4-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation FORTE2_AL5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1763307438.pdb -s /var/tmp/to_scwrl_1763307438.seq -o /var/tmp/from_scwrl_1763307438.pdb > /var/tmp/scwrl_1763307438.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1763307438.pdb # conformation set from SCWRL output # naming current conformation FORTE2_AL5-scwrl # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS1.pdb.gz looking for model 1 # Found a chain break before 219 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_999190174.pdb -s /var/tmp/to_scwrl_999190174.seq -o /var/tmp/from_scwrl_999190174.pdb > /var/tmp/scwrl_999190174.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_999190174.pdb # conformation set from SCWRL output # naming current conformation FPSOLVER-SERVER_TS1-scwrl # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS2.pdb.gz looking for model 1 # Found a chain break before 214 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_418925358.pdb -s /var/tmp/to_scwrl_418925358.seq -o /var/tmp/from_scwrl_418925358.pdb > /var/tmp/scwrl_418925358.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_418925358.pdb # conformation set from SCWRL output # naming current conformation FPSOLVER-SERVER_TS2-scwrl # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS3.pdb.gz looking for model 1 # Found a chain break before 222 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_702986860.pdb -s /var/tmp/to_scwrl_702986860.seq -o /var/tmp/from_scwrl_702986860.pdb > /var/tmp/scwrl_702986860.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_702986860.pdb # conformation set from SCWRL output # naming current conformation FPSOLVER-SERVER_TS3-scwrl # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS4.pdb.gz looking for model 1 # Found a chain break before 217 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1668576365.pdb -s /var/tmp/to_scwrl_1668576365.seq -o /var/tmp/from_scwrl_1668576365.pdb > /var/tmp/scwrl_1668576365.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1668576365.pdb # conformation set from SCWRL output # naming current conformation FPSOLVER-SERVER_TS4-scwrl # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS5.pdb.gz looking for model 1 # Found a chain break before 210 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1296007655.pdb -s /var/tmp/to_scwrl_1296007655.seq -o /var/tmp/from_scwrl_1296007655.pdb > /var/tmp/scwrl_1296007655.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1296007655.pdb # conformation set from SCWRL output # naming current conformation FPSOLVER-SERVER_TS5-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_313961212.pdb -s /var/tmp/to_scwrl_313961212.seq -o /var/tmp/from_scwrl_313961212.pdb > /var/tmp/scwrl_313961212.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_313961212.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS1-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1102874735.pdb -s /var/tmp/to_scwrl_1102874735.seq -o /var/tmp/from_scwrl_1102874735.pdb > /var/tmp/scwrl_1102874735.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1102874735.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS2-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1692386799.pdb -s /var/tmp/to_scwrl_1692386799.seq -o /var/tmp/from_scwrl_1692386799.pdb > /var/tmp/scwrl_1692386799.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1692386799.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS3-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_712754411.pdb -s /var/tmp/to_scwrl_712754411.seq -o /var/tmp/from_scwrl_712754411.pdb > /var/tmp/scwrl_712754411.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_712754411.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS4-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_2140971332.pdb -s /var/tmp/to_scwrl_2140971332.seq -o /var/tmp/from_scwrl_2140971332.pdb > /var/tmp/scwrl_2140971332.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2140971332.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS5-scwrl # ReadConformPDB reading from PDB file servers/FUGUE_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation FUGUE_AL1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_2053309445.pdb -s /var/tmp/to_scwrl_2053309445.seq -o /var/tmp/from_scwrl_2053309445.pdb > /var/tmp/scwrl_2053309445.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2053309445.pdb # conformation set from SCWRL output # naming current conformation FUGUE_AL1-scwrl # ReadConformPDB reading from PDB file servers/FUGUE_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_170058773.pdb -s /var/tmp/to_scwrl_170058773.seq -o /var/tmp/from_scwrl_170058773.pdb > /var/tmp/scwrl_170058773.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_170058773.pdb # conformation set from SCWRL output # naming current conformation FUGUE_AL2-scwrl # ReadConformPDB reading from PDB file servers/FUGUE_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation FUGUE_AL3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1858381844.pdb -s /var/tmp/to_scwrl_1858381844.seq -o /var/tmp/from_scwrl_1858381844.pdb > /var/tmp/scwrl_1858381844.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1858381844.pdb # conformation set from SCWRL output # naming current conformation FUGUE_AL3-scwrl # ReadConformPDB reading from PDB file servers/FUGUE_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation FUGUE_AL4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1816809806.pdb -s /var/tmp/to_scwrl_1816809806.seq -o /var/tmp/from_scwrl_1816809806.pdb > /var/tmp/scwrl_1816809806.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1816809806.pdb # conformation set from SCWRL output # naming current conformation FUGUE_AL4-scwrl # ReadConformPDB reading from PDB file servers/FUGUE_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation FUGUE_AL5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_109655542.pdb -s /var/tmp/to_scwrl_109655542.seq -o /var/tmp/from_scwrl_109655542.pdb > /var/tmp/scwrl_109655542.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_109655542.pdb # conformation set from SCWRL output # naming current conformation FUGUE_AL5-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS1.pdb.gz looking for model 1 # Found a chain break before 223 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_244059062.pdb -s /var/tmp/to_scwrl_244059062.seq -o /var/tmp/from_scwrl_244059062.pdb > /var/tmp/scwrl_244059062.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_244059062.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS1-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS2.pdb.gz looking for model 1 # Found a chain break before 217 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_335228888.pdb -s /var/tmp/to_scwrl_335228888.seq -o /var/tmp/from_scwrl_335228888.pdb > /var/tmp/scwrl_335228888.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_335228888.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS2-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS3.pdb.gz looking for model 1 # Found a chain break before 217 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_354473401.pdb -s /var/tmp/to_scwrl_354473401.seq -o /var/tmp/from_scwrl_354473401.pdb > /var/tmp/scwrl_354473401.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_354473401.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS3-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS4.pdb.gz looking for model 1 # Found a chain break before 218 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_673952029.pdb -s /var/tmp/to_scwrl_673952029.seq -o /var/tmp/from_scwrl_673952029.pdb > /var/tmp/scwrl_673952029.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_673952029.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS4-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS5.pdb.gz looking for model 1 # Found a chain break before 223 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_347922438.pdb -s /var/tmp/to_scwrl_347922438.seq -o /var/tmp/from_scwrl_347922438.pdb > /var/tmp/scwrl_347922438.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_347922438.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS5-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS1.pdb.gz looking for model 1 # Found a chain break before 212 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1960463518.pdb -s /var/tmp/to_scwrl_1960463518.seq -o /var/tmp/from_scwrl_1960463518.pdb > /var/tmp/scwrl_1960463518.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1960463518.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS1-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS2.pdb.gz looking for model 1 # Found a chain break before 217 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_720577254.pdb -s /var/tmp/to_scwrl_720577254.seq -o /var/tmp/from_scwrl_720577254.pdb > /var/tmp/scwrl_720577254.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_720577254.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS2-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS3.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1524371626.pdb -s /var/tmp/to_scwrl_1524371626.seq -o /var/tmp/from_scwrl_1524371626.pdb > /var/tmp/scwrl_1524371626.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1524371626.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS3-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS4.pdb.gz looking for model 1 # Found a chain break before 199 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_871982192.pdb -s /var/tmp/to_scwrl_871982192.seq -o /var/tmp/from_scwrl_871982192.pdb > /var/tmp/scwrl_871982192.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_871982192.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS4-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS5.pdb.gz looking for model 1 # Found a chain break before 169 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1726197681.pdb -s /var/tmp/to_scwrl_1726197681.seq -o /var/tmp/from_scwrl_1726197681.pdb > /var/tmp/scwrl_1726197681.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1726197681.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS5-scwrl # ReadConformPDB reading from PDB file servers/HHpred1_TS1.pdb.gz looking for model 1 # Found a chain break before 175 # copying to AlignedFragments data structure # naming current conformation HHpred1_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1901388052.pdb -s /var/tmp/to_scwrl_1901388052.seq -o /var/tmp/from_scwrl_1901388052.pdb > /var/tmp/scwrl_1901388052.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1901388052.pdb # conformation set from SCWRL output # naming current conformation HHpred1_TS1-scwrl # ReadConformPDB reading from PDB file servers/HHpred2_TS1.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # naming current conformation HHpred2_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_29883817.pdb -s /var/tmp/to_scwrl_29883817.seq -o /var/tmp/from_scwrl_29883817.pdb > /var/tmp/scwrl_29883817.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_29883817.pdb # conformation set from SCWRL output # naming current conformation HHpred2_TS1-scwrl # ReadConformPDB reading from PDB file servers/HHpred3_TS1.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # naming current conformation HHpred3_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_782912940.pdb -s /var/tmp/to_scwrl_782912940.seq -o /var/tmp/from_scwrl_782912940.pdb > /var/tmp/scwrl_782912940.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_782912940.pdb # conformation set from SCWRL output # naming current conformation HHpred3_TS1-scwrl # ReadConformPDB reading from PDB file servers/Huber-Torda-Server_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1756328901.pdb -s /var/tmp/to_scwrl_1756328901.seq -o /var/tmp/from_scwrl_1756328901.pdb > /var/tmp/scwrl_1756328901.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1756328901.pdb # conformation set from SCWRL output # naming current conformation Huber-Torda-Server_TS1-scwrl # ReadConformPDB reading from PDB file servers/Huber-Torda-Server_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_206098457.pdb -s /var/tmp/to_scwrl_206098457.seq -o /var/tmp/from_scwrl_206098457.pdb > /var/tmp/scwrl_206098457.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_206098457.pdb # conformation set from SCWRL output # naming current conformation Huber-Torda-Server_TS2-scwrl # ReadConformPDB reading from PDB file servers/Huber-Torda-Server_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_398736732.pdb -s /var/tmp/to_scwrl_398736732.seq -o /var/tmp/from_scwrl_398736732.pdb > /var/tmp/scwrl_398736732.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_398736732.pdb # conformation set from SCWRL output # naming current conformation Huber-Torda-Server_TS3-scwrl # ReadConformPDB reading from PDB file servers/Huber-Torda-Server_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_608035429.pdb -s /var/tmp/to_scwrl_608035429.seq -o /var/tmp/from_scwrl_608035429.pdb > /var/tmp/scwrl_608035429.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_608035429.pdb # conformation set from SCWRL output # naming current conformation Huber-Torda-Server_TS4-scwrl # ReadConformPDB reading from PDB file servers/Huber-Torda-Server_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_625023815.pdb -s /var/tmp/to_scwrl_625023815.seq -o /var/tmp/from_scwrl_625023815.pdb > /var/tmp/scwrl_625023815.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_625023815.pdb # conformation set from SCWRL output # naming current conformation Huber-Torda-Server_TS5-scwrl # ReadConformPDB reading from PDB file servers/LOOPP_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation LOOPP_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1101723591.pdb -s /var/tmp/to_scwrl_1101723591.seq -o /var/tmp/from_scwrl_1101723591.pdb > /var/tmp/scwrl_1101723591.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1101723591.pdb # conformation set from SCWRL output # naming current conformation LOOPP_TS1-scwrl # ReadConformPDB reading from PDB file servers/LOOPP_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation LOOPP_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_129128147.pdb -s /var/tmp/to_scwrl_129128147.seq -o /var/tmp/from_scwrl_129128147.pdb > /var/tmp/scwrl_129128147.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_129128147.pdb # conformation set from SCWRL output # naming current conformation LOOPP_TS2-scwrl # ReadConformPDB reading from PDB file servers/LOOPP_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation LOOPP_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1921031471.pdb -s /var/tmp/to_scwrl_1921031471.seq -o /var/tmp/from_scwrl_1921031471.pdb > /var/tmp/scwrl_1921031471.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1921031471.pdb # conformation set from SCWRL output # naming current conformation LOOPP_TS3-scwrl # ReadConformPDB reading from PDB file servers/LOOPP_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation LOOPP_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1415684804.pdb -s /var/tmp/to_scwrl_1415684804.seq -o /var/tmp/from_scwrl_1415684804.pdb > /var/tmp/scwrl_1415684804.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1415684804.pdb # conformation set from SCWRL output # naming current conformation LOOPP_TS4-scwrl # ReadConformPDB reading from PDB file servers/LOOPP_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation LOOPP_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1232002883.pdb -s /var/tmp/to_scwrl_1232002883.seq -o /var/tmp/from_scwrl_1232002883.pdb > /var/tmp/scwrl_1232002883.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1232002883.pdb # conformation set from SCWRL output # naming current conformation LOOPP_TS5-scwrl # ReadConformPDB reading from PDB file servers/MIG_FROST_AL1.pdb.gz looking for model 1 Skipped atom 26, because occupancy 1.000 <= existing 1.000 in servers/MIG_FROST_AL1.pdb.gz Skipped atom 28, because occupancy 1.000 <= existing 1.000 in servers/MIG_FROST_AL1.pdb.gz Skipped atom 30, because occupancy 1.000 <= existing 1.000 in servers/MIG_FROST_AL1.pdb.gz Skipped atom 32, because occupancy 1.000 <= existing 1.000 in servers/MIG_FROST_AL1.pdb.gz Skipped atom 66, because occupancy 1.000 <= existing 1.000 in servers/MIG_FROST_AL1.pdb.gz Skipped atom 68, because occupancy 1.000 <= existing 1.000 in servers/MIG_FROST_AL1.pdb.gz Skipped atom 70, because occupancy 1.000 <= existing 1.000 in servers/MIG_FROST_AL1.pdb.gz Skipped atom 72, because occupancy 1.000 <= existing 1.000 in servers/MIG_FROST_AL1.pdb.gz Skipped atom 126, because occupancy 1.000 <= existing 1.000 in servers/MIG_FROST_AL1.pdb.gz Skipped atom 128, because occupancy 1.000 <= existing 1.000 in servers/MIG_FROST_AL1.pdb.gz Skipped atom 130, because occupancy 1.000 <= existing 1.000 in servers/MIG_FROST_AL1.pdb.gz Skipped atom 132, because occupancy 1.000 <= existing 1.000 in servers/MIG_FROST_AL1.pdb.gz Skipped atom 290, because occupancy 1.000 <= existing 1.000 in servers/MIG_FROST_AL1.pdb.gz Skipped atom 292, because occupancy 1.000 <= existing 1.000 in servers/MIG_FROST_AL1.pdb.gz Skipped atom 294, because occupancy 1.000 <= existing 1.000 in servers/MIG_FROST_AL1.pdb.gz Skipped atom 296, because occupancy 1.000 <= existing 1.000 in servers/MIG_FROST_AL1.pdb.gz # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation MIG_FROST_AL1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1465934623.pdb -s /var/tmp/to_scwrl_1465934623.seq -o /var/tmp/from_scwrl_1465934623.pdb > /var/tmp/scwrl_1465934623.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1465934623.pdb # conformation set from SCWRL output # naming current conformation MIG_FROST_AL1-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS1.pdb.gz looking for model 1 # Found a chain break before 215 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_2128439215.pdb -s /var/tmp/to_scwrl_2128439215.seq -o /var/tmp/from_scwrl_2128439215.pdb > /var/tmp/scwrl_2128439215.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2128439215.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server_TS1-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS2.pdb.gz looking for model 1 # Found a chain break before 143 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1225490568.pdb -s /var/tmp/to_scwrl_1225490568.seq -o /var/tmp/from_scwrl_1225490568.pdb > /var/tmp/scwrl_1225490568.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1225490568.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server_TS2-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS3.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1371760421.pdb -s /var/tmp/to_scwrl_1371760421.seq -o /var/tmp/from_scwrl_1371760421.pdb > /var/tmp/scwrl_1371760421.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1371760421.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server_TS3-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS4.pdb.gz looking for model 1 # Found a chain break before 176 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_151014342.pdb -s /var/tmp/to_scwrl_151014342.seq -o /var/tmp/from_scwrl_151014342.pdb > /var/tmp/scwrl_151014342.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_151014342.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server_TS4-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS5.pdb.gz looking for model 1 # Found a chain break before 199 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_936388767.pdb -s /var/tmp/to_scwrl_936388767.seq -o /var/tmp/from_scwrl_936388767.pdb > /var/tmp/scwrl_936388767.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_936388767.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server_TS5-scwrl # ReadConformPDB reading from PDB file servers/MetaTasser_TS1.pdb.gz looking for model 1 # Found a chain break before 210 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1041086581.pdb -s /var/tmp/to_scwrl_1041086581.seq -o /var/tmp/from_scwrl_1041086581.pdb > /var/tmp/scwrl_1041086581.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1041086581.pdb # conformation set from SCWRL output # naming current conformation MetaTasser_TS1-scwrl # ReadConformPDB reading from PDB file servers/MetaTasser_TS2.pdb.gz looking for model 1 # Found a chain break before 211 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_260669884.pdb -s /var/tmp/to_scwrl_260669884.seq -o /var/tmp/from_scwrl_260669884.pdb > /var/tmp/scwrl_260669884.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_260669884.pdb # conformation set from SCWRL output # naming current conformation MetaTasser_TS2-scwrl # ReadConformPDB reading from PDB file servers/MetaTasser_TS3.pdb.gz looking for model 1 # Found a chain break before 222 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1180447828.pdb -s /var/tmp/to_scwrl_1180447828.seq -o /var/tmp/from_scwrl_1180447828.pdb > /var/tmp/scwrl_1180447828.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1180447828.pdb # conformation set from SCWRL output # naming current conformation MetaTasser_TS3-scwrl # ReadConformPDB reading from PDB file servers/MetaTasser_TS4.pdb.gz looking for model 1 # Found a chain break before 223 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1376315469.pdb -s /var/tmp/to_scwrl_1376315469.seq -o /var/tmp/from_scwrl_1376315469.pdb > /var/tmp/scwrl_1376315469.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1376315469.pdb # conformation set from SCWRL output # naming current conformation MetaTasser_TS4-scwrl # ReadConformPDB reading from PDB file servers/MetaTasser_TS5.pdb.gz looking for model 1 # Found a chain break before 212 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_615143285.pdb -s /var/tmp/to_scwrl_615143285.seq -o /var/tmp/from_scwrl_615143285.pdb > /var/tmp/scwrl_615143285.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_615143285.pdb # conformation set from SCWRL output # naming current conformation MetaTasser_TS5-scwrl # ReadConformPDB reading from PDB file servers/NN_PUT_lab_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation NN_PUT_lab_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1854399857.pdb -s /var/tmp/to_scwrl_1854399857.seq -o /var/tmp/from_scwrl_1854399857.pdb > /var/tmp/scwrl_1854399857.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1854399857.pdb # conformation set from SCWRL output # naming current conformation NN_PUT_lab_TS1-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS1.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1724237907.pdb -s /var/tmp/to_scwrl_1724237907.seq -o /var/tmp/from_scwrl_1724237907.pdb > /var/tmp/scwrl_1724237907.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1724237907.pdb # conformation set from SCWRL output # naming current conformation PROTINFO-AB_TS1-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS2.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_428123156.pdb -s /var/tmp/to_scwrl_428123156.seq -o /var/tmp/from_scwrl_428123156.pdb > /var/tmp/scwrl_428123156.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_428123156.pdb # conformation set from SCWRL output # naming current conformation PROTINFO-AB_TS2-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS3.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_427493465.pdb -s /var/tmp/to_scwrl_427493465.seq -o /var/tmp/from_scwrl_427493465.pdb > /var/tmp/scwrl_427493465.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_427493465.pdb # conformation set from SCWRL output # naming current conformation PROTINFO-AB_TS3-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS4.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1101125886.pdb -s /var/tmp/to_scwrl_1101125886.seq -o /var/tmp/from_scwrl_1101125886.pdb > /var/tmp/scwrl_1101125886.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1101125886.pdb # conformation set from SCWRL output # naming current conformation PROTINFO-AB_TS4-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS5.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1300105347.pdb -s /var/tmp/to_scwrl_1300105347.seq -o /var/tmp/from_scwrl_1300105347.pdb > /var/tmp/scwrl_1300105347.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1300105347.pdb # conformation set from SCWRL output # naming current conformation PROTINFO-AB_TS5-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS1.pdb.gz looking for model 1 # Found a chain break before 208 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_6207499.pdb -s /var/tmp/to_scwrl_6207499.seq -o /var/tmp/from_scwrl_6207499.pdb > /var/tmp/scwrl_6207499.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_6207499.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS1-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS2.pdb.gz looking for model 1 # Found a chain break before 191 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_855030292.pdb -s /var/tmp/to_scwrl_855030292.seq -o /var/tmp/from_scwrl_855030292.pdb > /var/tmp/scwrl_855030292.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_855030292.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS2-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS3.pdb.gz looking for model 1 # Found a chain break before 218 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1329989165.pdb -s /var/tmp/to_scwrl_1329989165.seq -o /var/tmp/from_scwrl_1329989165.pdb > /var/tmp/scwrl_1329989165.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1329989165.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS3-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS4.pdb.gz looking for model 1 # naming current conformation PROTINFO_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_789120440.pdb -s /var/tmp/to_scwrl_789120440.seq -o /var/tmp/from_scwrl_789120440.pdb > /var/tmp/scwrl_789120440.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_789120440.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS4-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS5.pdb.gz looking for model 1 # Found a chain break before 207 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_463875547.pdb -s /var/tmp/to_scwrl_463875547.seq -o /var/tmp/from_scwrl_463875547.pdb > /var/tmp/scwrl_463875547.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_463875547.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS5-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Pcons6_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1536087622.pdb -s /var/tmp/to_scwrl_1536087622.seq -o /var/tmp/from_scwrl_1536087622.pdb > /var/tmp/scwrl_1536087622.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1536087622.pdb # conformation set from SCWRL output # naming current conformation Pcons6_TS1-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Pcons6_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1187857171.pdb -s /var/tmp/to_scwrl_1187857171.seq -o /var/tmp/from_scwrl_1187857171.pdb > /var/tmp/scwrl_1187857171.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1187857171.pdb # conformation set from SCWRL output # naming current conformation Pcons6_TS2-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Pcons6_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1071910976.pdb -s /var/tmp/to_scwrl_1071910976.seq -o /var/tmp/from_scwrl_1071910976.pdb > /var/tmp/scwrl_1071910976.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1071910976.pdb # conformation set from SCWRL output # naming current conformation Pcons6_TS3-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Pcons6_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_13627791.pdb -s /var/tmp/to_scwrl_13627791.seq -o /var/tmp/from_scwrl_13627791.pdb > /var/tmp/scwrl_13627791.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_13627791.pdb # conformation set from SCWRL output # naming current conformation Pcons6_TS4-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Pcons6_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_142097116.pdb -s /var/tmp/to_scwrl_142097116.seq -o /var/tmp/from_scwrl_142097116.pdb > /var/tmp/scwrl_142097116.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_142097116.pdb # conformation set from SCWRL output # naming current conformation Pcons6_TS5-scwrl # ReadConformPDB reading from PDB file servers/Phyre-1_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-1_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1201039122.pdb -s /var/tmp/to_scwrl_1201039122.seq -o /var/tmp/from_scwrl_1201039122.pdb > /var/tmp/scwrl_1201039122.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1201039122.pdb # conformation set from SCWRL output # naming current conformation Phyre-1_TS1-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS1.pdb.gz looking for model 1 # Found a chain break before 201 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1934659262.pdb -s /var/tmp/to_scwrl_1934659262.seq -o /var/tmp/from_scwrl_1934659262.pdb > /var/tmp/scwrl_1934659262.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1934659262.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS1-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS2.pdb.gz looking for model 1 # Found a chain break before 200 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1557781920.pdb -s /var/tmp/to_scwrl_1557781920.seq -o /var/tmp/from_scwrl_1557781920.pdb > /var/tmp/scwrl_1557781920.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1557781920.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS2-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS3.pdb.gz looking for model 1 # Found a chain break before 200 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_285558359.pdb -s /var/tmp/to_scwrl_285558359.seq -o /var/tmp/from_scwrl_285558359.pdb > /var/tmp/scwrl_285558359.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_285558359.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS3-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS4.pdb.gz looking for model 1 # Found a chain break before 200 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1253110238.pdb -s /var/tmp/to_scwrl_1253110238.seq -o /var/tmp/from_scwrl_1253110238.pdb > /var/tmp/scwrl_1253110238.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1253110238.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS4-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1538737489.pdb -s /var/tmp/to_scwrl_1538737489.seq -o /var/tmp/from_scwrl_1538737489.pdb > /var/tmp/scwrl_1538737489.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1538737489.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS5-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS1.pdb.gz looking for model 1 # Found a chain break before 150 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1511048928.pdb -s /var/tmp/to_scwrl_1511048928.seq -o /var/tmp/from_scwrl_1511048928.pdb > /var/tmp/scwrl_1511048928.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1511048928.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS1-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_477387014.pdb -s /var/tmp/to_scwrl_477387014.seq -o /var/tmp/from_scwrl_477387014.pdb > /var/tmp/scwrl_477387014.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_477387014.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS2-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1689751831.pdb -s /var/tmp/to_scwrl_1689751831.seq -o /var/tmp/from_scwrl_1689751831.pdb > /var/tmp/scwrl_1689751831.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1689751831.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS3-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_299954048.pdb -s /var/tmp/to_scwrl_299954048.seq -o /var/tmp/from_scwrl_299954048.pdb > /var/tmp/scwrl_299954048.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_299954048.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS4-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS5.pdb.gz looking for model 1 # Found a chain break before 152 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1518473594.pdb -s /var/tmp/to_scwrl_1518473594.seq -o /var/tmp/from_scwrl_1518473594.pdb > /var/tmp/scwrl_1518473594.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1518473594.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS5-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1950421715.pdb -s /var/tmp/to_scwrl_1950421715.seq -o /var/tmp/from_scwrl_1950421715.pdb > /var/tmp/scwrl_1950421715.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1950421715.pdb # conformation set from SCWRL output # naming current conformation RAPTOR-ACE_TS1-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS2.pdb.gz looking for model 1 # Found a chain break before 212 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1480401876.pdb -s /var/tmp/to_scwrl_1480401876.seq -o /var/tmp/from_scwrl_1480401876.pdb > /var/tmp/scwrl_1480401876.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1480401876.pdb # conformation set from SCWRL output # naming current conformation RAPTOR-ACE_TS2-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS3.pdb.gz looking for model 1 # Found a chain break before 197 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_747305417.pdb -s /var/tmp/to_scwrl_747305417.seq -o /var/tmp/from_scwrl_747305417.pdb > /var/tmp/scwrl_747305417.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_747305417.pdb # conformation set from SCWRL output # naming current conformation RAPTOR-ACE_TS3-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_418081353.pdb -s /var/tmp/to_scwrl_418081353.seq -o /var/tmp/from_scwrl_418081353.pdb > /var/tmp/scwrl_418081353.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_418081353.pdb # conformation set from SCWRL output # naming current conformation RAPTOR-ACE_TS4-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS5.pdb.gz looking for model 1 # Found a chain break before 208 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1187318087.pdb -s /var/tmp/to_scwrl_1187318087.seq -o /var/tmp/from_scwrl_1187318087.pdb > /var/tmp/scwrl_1187318087.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1187318087.pdb # conformation set from SCWRL output # naming current conformation RAPTOR-ACE_TS5-scwrl # ReadConformPDB reading from PDB file servers/RAPTORESS_TS1.pdb.gz looking for model 1 # Found a chain break before 202 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_324059677.pdb -s /var/tmp/to_scwrl_324059677.seq -o /var/tmp/from_scwrl_324059677.pdb > /var/tmp/scwrl_324059677.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_324059677.pdb # conformation set from SCWRL output # naming current conformation RAPTORESS_TS1-scwrl # ReadConformPDB reading from PDB file servers/RAPTORESS_TS2.pdb.gz looking for model 1 # Found a chain break before 208 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_846204509.pdb -s /var/tmp/to_scwrl_846204509.seq -o /var/tmp/from_scwrl_846204509.pdb > /var/tmp/scwrl_846204509.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_846204509.pdb # conformation set from SCWRL output # naming current conformation RAPTORESS_TS2-scwrl # ReadConformPDB reading from PDB file servers/RAPTORESS_TS3.pdb.gz looking for model 1 # Found a chain break before 215 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1614811552.pdb -s /var/tmp/to_scwrl_1614811552.seq -o /var/tmp/from_scwrl_1614811552.pdb > /var/tmp/scwrl_1614811552.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1614811552.pdb # conformation set from SCWRL output # naming current conformation RAPTORESS_TS3-scwrl # ReadConformPDB reading from PDB file servers/RAPTORESS_TS4.pdb.gz looking for model 1 # Found a chain break before 218 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1425185563.pdb -s /var/tmp/to_scwrl_1425185563.seq -o /var/tmp/from_scwrl_1425185563.pdb > /var/tmp/scwrl_1425185563.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1425185563.pdb # conformation set from SCWRL output # naming current conformation RAPTORESS_TS4-scwrl # ReadConformPDB reading from PDB file servers/RAPTORESS_TS5.pdb.gz looking for model 1 # Found a chain break before 203 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_2146309857.pdb -s /var/tmp/to_scwrl_2146309857.seq -o /var/tmp/from_scwrl_2146309857.pdb > /var/tmp/scwrl_2146309857.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2146309857.pdb # conformation set from SCWRL output # naming current conformation RAPTORESS_TS5-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR_TS1.pdb.gz looking for model 1 # Found a chain break before 217 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1621019051.pdb -s /var/tmp/to_scwrl_1621019051.seq -o /var/tmp/from_scwrl_1621019051.pdb > /var/tmp/scwrl_1621019051.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1621019051.pdb # conformation set from SCWRL output # naming current conformation RAPTOR_TS1-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR_TS2.pdb.gz looking for model 1 # Found a chain break before 212 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_132732209.pdb -s /var/tmp/to_scwrl_132732209.seq -o /var/tmp/from_scwrl_132732209.pdb > /var/tmp/scwrl_132732209.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_132732209.pdb # conformation set from SCWRL output # naming current conformation RAPTOR_TS2-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR_TS3.pdb.gz looking for model 1 # Found a chain break before 212 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1328815375.pdb -s /var/tmp/to_scwrl_1328815375.seq -o /var/tmp/from_scwrl_1328815375.pdb > /var/tmp/scwrl_1328815375.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1328815375.pdb # conformation set from SCWRL output # naming current conformation RAPTOR_TS3-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR_TS4.pdb.gz looking for model 1 # Found a chain break before 215 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_262655844.pdb -s /var/tmp/to_scwrl_262655844.seq -o /var/tmp/from_scwrl_262655844.pdb > /var/tmp/scwrl_262655844.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_262655844.pdb # conformation set from SCWRL output # naming current conformation RAPTOR_TS4-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR_TS5.pdb.gz looking for model 1 # Found a chain break before 217 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_596607756.pdb -s /var/tmp/to_scwrl_596607756.seq -o /var/tmp/from_scwrl_596607756.pdb > /var/tmp/scwrl_596607756.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_596607756.pdb # conformation set from SCWRL output # naming current conformation RAPTOR_TS5-scwrl # ReadConformPDB reading from PDB file servers/ROBETTA_TS1.pdb.gz looking for model 1 # Found a chain break before 154 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_717419351.pdb -s /var/tmp/to_scwrl_717419351.seq -o /var/tmp/from_scwrl_717419351.pdb > /var/tmp/scwrl_717419351.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_717419351.pdb # conformation set from SCWRL output # naming current conformation ROBETTA_TS1-scwrl # ReadConformPDB reading from PDB file servers/ROBETTA_TS2.pdb.gz looking for model 1 # Found a chain break before 197 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1450513015.pdb -s /var/tmp/to_scwrl_1450513015.seq -o /var/tmp/from_scwrl_1450513015.pdb > /var/tmp/scwrl_1450513015.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1450513015.pdb # conformation set from SCWRL output # naming current conformation ROBETTA_TS2-scwrl # ReadConformPDB reading from PDB file servers/ROBETTA_TS3.pdb.gz looking for model 1 # Found a chain break before 150 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1668518731.pdb -s /var/tmp/to_scwrl_1668518731.seq -o /var/tmp/from_scwrl_1668518731.pdb > /var/tmp/scwrl_1668518731.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1668518731.pdb # conformation set from SCWRL output # naming current conformation ROBETTA_TS3-scwrl # ReadConformPDB reading from PDB file servers/ROBETTA_TS4.pdb.gz looking for model 1 # Found a chain break before 152 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_731047142.pdb -s /var/tmp/to_scwrl_731047142.seq -o /var/tmp/from_scwrl_731047142.pdb > /var/tmp/scwrl_731047142.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_731047142.pdb # conformation set from SCWRL output # naming current conformation ROBETTA_TS4-scwrl # ReadConformPDB reading from PDB file servers/ROBETTA_TS5.pdb.gz looking for model 1 # Found a chain break before 151 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1592610132.pdb -s /var/tmp/to_scwrl_1592610132.seq -o /var/tmp/from_scwrl_1592610132.pdb > /var/tmp/scwrl_1592610132.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1592610132.pdb # conformation set from SCWRL output # naming current conformation ROBETTA_TS5-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS1.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_722074207.pdb -s /var/tmp/to_scwrl_722074207.seq -o /var/tmp/from_scwrl_722074207.pdb > /var/tmp/scwrl_722074207.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_722074207.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS1-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS2.pdb.gz looking for model 1 # Found a chain break before 207 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_518222757.pdb -s /var/tmp/to_scwrl_518222757.seq -o /var/tmp/from_scwrl_518222757.pdb > /var/tmp/scwrl_518222757.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_518222757.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS2-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS3.pdb.gz looking for model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1002908406.pdb -s /var/tmp/to_scwrl_1002908406.seq -o /var/tmp/from_scwrl_1002908406.pdb > /var/tmp/scwrl_1002908406.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1002908406.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS3-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS4.pdb.gz looking for model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1007632567.pdb -s /var/tmp/to_scwrl_1007632567.seq -o /var/tmp/from_scwrl_1007632567.pdb > /var/tmp/scwrl_1007632567.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1007632567.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS4-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS5.pdb.gz looking for model 1 # Found a chain break before 202 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1771332996.pdb -s /var/tmp/to_scwrl_1771332996.seq -o /var/tmp/from_scwrl_1771332996.pdb > /var/tmp/scwrl_1771332996.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1771332996.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS5-scwrl # ReadConformPDB reading from PDB file servers/SAM-T02_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_394162248.pdb -s /var/tmp/to_scwrl_394162248.seq -o /var/tmp/from_scwrl_394162248.pdb > /var/tmp/scwrl_394162248.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_394162248.pdb # conformation set from SCWRL output # naming current conformation SAM-T02_AL1-scwrl # ReadConformPDB reading from PDB file servers/SAM-T02_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_371197848.pdb -s /var/tmp/to_scwrl_371197848.seq -o /var/tmp/from_scwrl_371197848.pdb > /var/tmp/scwrl_371197848.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_371197848.pdb # conformation set from SCWRL output # naming current conformation SAM-T02_AL2-scwrl # ReadConformPDB reading from PDB file servers/SAM-T02_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_101236363.pdb -s /var/tmp/to_scwrl_101236363.seq -o /var/tmp/from_scwrl_101236363.pdb > /var/tmp/scwrl_101236363.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_101236363.pdb # conformation set from SCWRL output # naming current conformation SAM-T02_AL3-scwrl # ReadConformPDB reading from PDB file servers/SAM-T02_AL4.pdb.gz looking for model 1 Skipped atom 314, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 316, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 318, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 320, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 366, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 368, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 370, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 372, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 386, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 388, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 390, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 392, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 394, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 396, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 398, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 400, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 674, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 676, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 678, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 680, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_2083914079.pdb -s /var/tmp/to_scwrl_2083914079.seq -o /var/tmp/from_scwrl_2083914079.pdb > /var/tmp/scwrl_2083914079.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2083914079.pdb # conformation set from SCWRL output # naming current conformation SAM-T02_AL4-scwrl # ReadConformPDB reading from PDB file servers/SAM-T02_AL5.pdb.gz looking for model 1 Skipped atom 34, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 36, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 38, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 40, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 98, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 100, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 102, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 104, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 206, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 208, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 210, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 212, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 262, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 264, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 266, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 268, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 506, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 508, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 510, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 512, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_671151896.pdb -s /var/tmp/to_scwrl_671151896.seq -o /var/tmp/from_scwrl_671151896.pdb > /var/tmp/scwrl_671151896.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_671151896.pdb # conformation set from SCWRL output # naming current conformation SAM-T02_AL5-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1619709957.pdb -s /var/tmp/to_scwrl_1619709957.seq -o /var/tmp/from_scwrl_1619709957.pdb > /var/tmp/scwrl_1619709957.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1619709957.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL1-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL2.pdb.gz looking for model 1 Skipped atom 22, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL2.pdb.gz Skipped atom 24, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL2.pdb.gz Skipped atom 26, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL2.pdb.gz Skipped atom 28, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL2.pdb.gz Skipped atom 86, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL2.pdb.gz Skipped atom 88, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL2.pdb.gz Skipped atom 90, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL2.pdb.gz Skipped atom 92, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL2.pdb.gz Skipped atom 194, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL2.pdb.gz Skipped atom 196, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL2.pdb.gz Skipped atom 198, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL2.pdb.gz Skipped atom 200, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL2.pdb.gz Skipped atom 250, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL2.pdb.gz Skipped atom 252, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL2.pdb.gz Skipped atom 254, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL2.pdb.gz Skipped atom 256, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL2.pdb.gz Skipped atom 494, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL2.pdb.gz Skipped atom 496, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL2.pdb.gz Skipped atom 498, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL2.pdb.gz Skipped atom 500, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL2.pdb.gz # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1886852147.pdb -s /var/tmp/to_scwrl_1886852147.seq -o /var/tmp/from_scwrl_1886852147.pdb > /var/tmp/scwrl_1886852147.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1886852147.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL2-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL3.pdb.gz looking for model 1 Skipped atom 310, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 312, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 314, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 316, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 362, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 364, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 366, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 368, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 382, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 384, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 386, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 388, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 390, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 392, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 394, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 396, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 670, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 672, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 674, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 676, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_4070125.pdb -s /var/tmp/to_scwrl_4070125.seq -o /var/tmp/from_scwrl_4070125.pdb > /var/tmp/scwrl_4070125.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_4070125.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL3-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL4.pdb.gz looking for model 1 Skipped atom 19, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL4.pdb.gz Skipped atom 340, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL4.pdb.gz # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_219531728.pdb -s /var/tmp/to_scwrl_219531728.seq -o /var/tmp/from_scwrl_219531728.pdb > /var/tmp/scwrl_219531728.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_219531728.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL4-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_157449853.pdb -s /var/tmp/to_scwrl_157449853.seq -o /var/tmp/from_scwrl_157449853.pdb > /var/tmp/scwrl_157449853.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_157449853.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL5-scwrl # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS1.pdb.gz looking for model 1 # Found a chain break before 209 # copying to AlignedFragments data structure # naming current conformation SAM_T06_server_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1191388212.pdb -s /var/tmp/to_scwrl_1191388212.seq -o /var/tmp/from_scwrl_1191388212.pdb > /var/tmp/scwrl_1191388212.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1191388212.pdb # conformation set from SCWRL output # naming current conformation SAM_T06_server_TS1-scwrl # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_543591405.pdb -s /var/tmp/to_scwrl_543591405.seq -o /var/tmp/from_scwrl_543591405.pdb > /var/tmp/scwrl_543591405.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_543591405.pdb # conformation set from SCWRL output # naming current conformation SAM_T06_server_TS2-scwrl # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1003654363.pdb -s /var/tmp/to_scwrl_1003654363.seq -o /var/tmp/from_scwrl_1003654363.pdb > /var/tmp/scwrl_1003654363.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1003654363.pdb # conformation set from SCWRL output # naming current conformation SAM_T06_server_TS3-scwrl # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_658716118.pdb -s /var/tmp/to_scwrl_658716118.seq -o /var/tmp/from_scwrl_658716118.pdb > /var/tmp/scwrl_658716118.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_658716118.pdb # conformation set from SCWRL output # naming current conformation SAM_T06_server_TS4-scwrl # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1968776969.pdb -s /var/tmp/to_scwrl_1968776969.seq -o /var/tmp/from_scwrl_1968776969.pdb > /var/tmp/scwrl_1968776969.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1968776969.pdb # conformation set from SCWRL output # naming current conformation SAM_T06_server_TS5-scwrl # ReadConformPDB reading from PDB file servers/SP3_TS1.pdb.gz looking for model 1 # Found a chain break before 212 # copying to AlignedFragments data structure # naming current conformation SP3_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1002480573.pdb -s /var/tmp/to_scwrl_1002480573.seq -o /var/tmp/from_scwrl_1002480573.pdb > /var/tmp/scwrl_1002480573.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1002480573.pdb # conformation set from SCWRL output # naming current conformation SP3_TS1-scwrl # ReadConformPDB reading from PDB file servers/SP3_TS2.pdb.gz looking for model 1 # Found a chain break before 137 # copying to AlignedFragments data structure # naming current conformation SP3_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_132251523.pdb -s /var/tmp/to_scwrl_132251523.seq -o /var/tmp/from_scwrl_132251523.pdb > /var/tmp/scwrl_132251523.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_132251523.pdb # conformation set from SCWRL output # naming current conformation SP3_TS2-scwrl # ReadConformPDB reading from PDB file servers/SP3_TS3.pdb.gz looking for model 1 # Found a chain break before 176 # copying to AlignedFragments data structure # naming current conformation SP3_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_2101509178.pdb -s /var/tmp/to_scwrl_2101509178.seq -o /var/tmp/from_scwrl_2101509178.pdb > /var/tmp/scwrl_2101509178.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2101509178.pdb # conformation set from SCWRL output # naming current conformation SP3_TS3-scwrl # ReadConformPDB reading from PDB file servers/SP3_TS4.pdb.gz looking for model 1 # Found a chain break before 210 # copying to AlignedFragments data structure # naming current conformation SP3_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_183812301.pdb -s /var/tmp/to_scwrl_183812301.seq -o /var/tmp/from_scwrl_183812301.pdb > /var/tmp/scwrl_183812301.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_183812301.pdb # conformation set from SCWRL output # naming current conformation SP3_TS4-scwrl # ReadConformPDB reading from PDB file servers/SP3_TS5.pdb.gz looking for model 1 # Found a chain break before 208 # copying to AlignedFragments data structure # naming current conformation SP3_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_394907367.pdb -s /var/tmp/to_scwrl_394907367.seq -o /var/tmp/from_scwrl_394907367.pdb > /var/tmp/scwrl_394907367.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_394907367.pdb # conformation set from SCWRL output # naming current conformation SP3_TS5-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS1.pdb.gz looking for model 1 # Found a chain break before 212 # copying to AlignedFragments data structure # naming current conformation SP4_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_550633287.pdb -s /var/tmp/to_scwrl_550633287.seq -o /var/tmp/from_scwrl_550633287.pdb > /var/tmp/scwrl_550633287.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_550633287.pdb # conformation set from SCWRL output # naming current conformation SP4_TS1-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS2.pdb.gz looking for model 1 # Found a chain break before 177 # copying to AlignedFragments data structure # naming current conformation SP4_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_901231652.pdb -s /var/tmp/to_scwrl_901231652.seq -o /var/tmp/from_scwrl_901231652.pdb > /var/tmp/scwrl_901231652.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_901231652.pdb # conformation set from SCWRL output # naming current conformation SP4_TS2-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS3.pdb.gz looking for model 1 # Found a chain break before 223 # copying to AlignedFragments data structure # naming current conformation SP4_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1845420383.pdb -s /var/tmp/to_scwrl_1845420383.seq -o /var/tmp/from_scwrl_1845420383.pdb > /var/tmp/scwrl_1845420383.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1845420383.pdb # conformation set from SCWRL output # naming current conformation SP4_TS3-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS4.pdb.gz looking for model 1 # Found a chain break before 169 # copying to AlignedFragments data structure # naming current conformation SP4_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_71668371.pdb -s /var/tmp/to_scwrl_71668371.seq -o /var/tmp/from_scwrl_71668371.pdb > /var/tmp/scwrl_71668371.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_71668371.pdb # conformation set from SCWRL output # naming current conformation SP4_TS4-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS5.pdb.gz looking for model 1 # Found a chain break before 165 # copying to AlignedFragments data structure # naming current conformation SP4_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1632278794.pdb -s /var/tmp/to_scwrl_1632278794.seq -o /var/tmp/from_scwrl_1632278794.pdb > /var/tmp/scwrl_1632278794.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1632278794.pdb # conformation set from SCWRL output # naming current conformation SP4_TS5-scwrl # ReadConformPDB reading from PDB file servers/SPARKS2_TS1.pdb.gz looking for model 1 # Found a chain break before 208 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1290546868.pdb -s /var/tmp/to_scwrl_1290546868.seq -o /var/tmp/from_scwrl_1290546868.pdb > /var/tmp/scwrl_1290546868.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1290546868.pdb # conformation set from SCWRL output # naming current conformation SPARKS2_TS1-scwrl # ReadConformPDB reading from PDB file servers/SPARKS2_TS2.pdb.gz looking for model 1 # Found a chain break before 212 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_793742578.pdb -s /var/tmp/to_scwrl_793742578.seq -o /var/tmp/from_scwrl_793742578.pdb > /var/tmp/scwrl_793742578.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_793742578.pdb # conformation set from SCWRL output # naming current conformation SPARKS2_TS2-scwrl # ReadConformPDB reading from PDB file servers/SPARKS2_TS3.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_3017904.pdb -s /var/tmp/to_scwrl_3017904.seq -o /var/tmp/from_scwrl_3017904.pdb > /var/tmp/scwrl_3017904.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_3017904.pdb # conformation set from SCWRL output # naming current conformation SPARKS2_TS3-scwrl # ReadConformPDB reading from PDB file servers/SPARKS2_TS4.pdb.gz looking for model 1 # Found a chain break before 202 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_145971627.pdb -s /var/tmp/to_scwrl_145971627.seq -o /var/tmp/from_scwrl_145971627.pdb > /var/tmp/scwrl_145971627.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_145971627.pdb # conformation set from SCWRL output # naming current conformation SPARKS2_TS4-scwrl # ReadConformPDB reading from PDB file servers/SPARKS2_TS5.pdb.gz looking for model 1 # Found a chain break before 202 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1801375144.pdb -s /var/tmp/to_scwrl_1801375144.seq -o /var/tmp/from_scwrl_1801375144.pdb > /var/tmp/scwrl_1801375144.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1801375144.pdb # conformation set from SCWRL output # naming current conformation SPARKS2_TS5-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_bnmx_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1774350900.pdb -s /var/tmp/to_scwrl_1774350900.seq -o /var/tmp/from_scwrl_1774350900.pdb > /var/tmp/scwrl_1774350900.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1774350900.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_bnmx_TS1-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_bnmx_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_540133876.pdb -s /var/tmp/to_scwrl_540133876.seq -o /var/tmp/from_scwrl_540133876.pdb > /var/tmp/scwrl_540133876.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_540133876.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_bnmx_TS2-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_bnmx_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_25089345.pdb -s /var/tmp/to_scwrl_25089345.seq -o /var/tmp/from_scwrl_25089345.pdb > /var/tmp/scwrl_25089345.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_25089345.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_bnmx_TS3-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_bnmx_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1875587263.pdb -s /var/tmp/to_scwrl_1875587263.seq -o /var/tmp/from_scwrl_1875587263.pdb > /var/tmp/scwrl_1875587263.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1875587263.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_bnmx_TS4-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_bnmx_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_476564308.pdb -s /var/tmp/to_scwrl_476564308.seq -o /var/tmp/from_scwrl_476564308.pdb > /var/tmp/scwrl_476564308.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_476564308.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_bnmx_TS5-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_expm_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation UNI-EID_expm_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_696241241.pdb -s /var/tmp/to_scwrl_696241241.seq -o /var/tmp/from_scwrl_696241241.pdb > /var/tmp/scwrl_696241241.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_696241241.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_expm_TS1-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1347813574.pdb -s /var/tmp/to_scwrl_1347813574.seq -o /var/tmp/from_scwrl_1347813574.pdb > /var/tmp/scwrl_1347813574.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1347813574.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_sfst_AL1-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL2.pdb.gz looking for model 1 Skipped atom 34, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 36, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 38, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 40, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 98, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 100, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 102, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 104, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 206, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 208, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 210, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 212, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 262, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 264, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 266, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 268, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 506, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 508, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 510, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 512, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_215932809.pdb -s /var/tmp/to_scwrl_215932809.seq -o /var/tmp/from_scwrl_215932809.pdb > /var/tmp/scwrl_215932809.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_215932809.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_sfst_AL2-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_700311367.pdb -s /var/tmp/to_scwrl_700311367.seq -o /var/tmp/from_scwrl_700311367.pdb > /var/tmp/scwrl_700311367.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_700311367.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_sfst_AL3-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1567345302.pdb -s /var/tmp/to_scwrl_1567345302.seq -o /var/tmp/from_scwrl_1567345302.pdb > /var/tmp/scwrl_1567345302.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1567345302.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_sfst_AL4-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL5.pdb.gz looking for model 1 Skipped atom 314, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 316, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 318, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 320, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 366, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 368, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 370, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 372, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 386, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 388, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 390, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 392, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 394, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 396, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 398, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 400, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 674, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 676, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 678, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 680, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_373382662.pdb -s /var/tmp/to_scwrl_373382662.seq -o /var/tmp/from_scwrl_373382662.pdb > /var/tmp/scwrl_373382662.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_373382662.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_sfst_AL5-scwrl # ReadConformPDB reading from PDB file servers/Zhang-Server_TS1.pdb.gz looking for model 1 # Found a chain break before 221 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1891699579.pdb -s /var/tmp/to_scwrl_1891699579.seq -o /var/tmp/from_scwrl_1891699579.pdb > /var/tmp/scwrl_1891699579.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1891699579.pdb # conformation set from SCWRL output # naming current conformation Zhang-Server_TS1-scwrl # ReadConformPDB reading from PDB file servers/Zhang-Server_TS2.pdb.gz looking for model 1 # Found a chain break before 207 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_2110936707.pdb -s /var/tmp/to_scwrl_2110936707.seq -o /var/tmp/from_scwrl_2110936707.pdb > /var/tmp/scwrl_2110936707.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2110936707.pdb # conformation set from SCWRL output # naming current conformation Zhang-Server_TS2-scwrl # ReadConformPDB reading from PDB file servers/Zhang-Server_TS3.pdb.gz looking for model 1 # Found a chain break before 195 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1377037024.pdb -s /var/tmp/to_scwrl_1377037024.seq -o /var/tmp/from_scwrl_1377037024.pdb > /var/tmp/scwrl_1377037024.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1377037024.pdb # conformation set from SCWRL output # naming current conformation Zhang-Server_TS3-scwrl # ReadConformPDB reading from PDB file servers/Zhang-Server_TS4.pdb.gz looking for model 1 # Found a chain break before 206 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_402932051.pdb -s /var/tmp/to_scwrl_402932051.seq -o /var/tmp/from_scwrl_402932051.pdb > /var/tmp/scwrl_402932051.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_402932051.pdb # conformation set from SCWRL output # naming current conformation Zhang-Server_TS4-scwrl # ReadConformPDB reading from PDB file servers/Zhang-Server_TS5.pdb.gz looking for model 1 # Found a chain break before 223 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1932230029.pdb -s /var/tmp/to_scwrl_1932230029.seq -o /var/tmp/from_scwrl_1932230029.pdb > /var/tmp/scwrl_1932230029.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1932230029.pdb # conformation set from SCWRL output # naming current conformation Zhang-Server_TS5-scwrl # ReadConformPDB reading from PDB file servers/beautshot_TS1.pdb.gz looking for model 1 # Found a chain break before 221 # copying to AlignedFragments data structure # naming current conformation beautshot_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_232033950.pdb -s /var/tmp/to_scwrl_232033950.seq -o /var/tmp/from_scwrl_232033950.pdb > /var/tmp/scwrl_232033950.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_232033950.pdb # conformation set from SCWRL output # naming current conformation beautshot_TS1-scwrl # ReadConformPDB reading from PDB file servers/beautshotbase_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation beautshotbase_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_535183574.pdb -s /var/tmp/to_scwrl_535183574.seq -o /var/tmp/from_scwrl_535183574.pdb > /var/tmp/scwrl_535183574.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_535183574.pdb # conformation set from SCWRL output # naming current conformation beautshotbase_TS1-scwrl # ReadConformPDB reading from PDB file servers/forecast-s_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation forecast-s_AL1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1886255560.pdb -s /var/tmp/to_scwrl_1886255560.seq -o /var/tmp/from_scwrl_1886255560.pdb > /var/tmp/scwrl_1886255560.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1886255560.pdb # conformation set from SCWRL output # naming current conformation forecast-s_AL1-scwrl # ReadConformPDB reading from PDB file servers/forecast-s_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation forecast-s_AL2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_415846251.pdb -s /var/tmp/to_scwrl_415846251.seq -o /var/tmp/from_scwrl_415846251.pdb > /var/tmp/scwrl_415846251.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_415846251.pdb # conformation set from SCWRL output # naming current conformation forecast-s_AL2-scwrl # ReadConformPDB reading from PDB file servers/forecast-s_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation forecast-s_AL3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_930090941.pdb -s /var/tmp/to_scwrl_930090941.seq -o /var/tmp/from_scwrl_930090941.pdb > /var/tmp/scwrl_930090941.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_930090941.pdb # conformation set from SCWRL output # naming current conformation forecast-s_AL3-scwrl # ReadConformPDB reading from PDB file servers/forecast-s_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation forecast-s_AL4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_289405200.pdb -s /var/tmp/to_scwrl_289405200.seq -o /var/tmp/from_scwrl_289405200.pdb > /var/tmp/scwrl_289405200.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_289405200.pdb # conformation set from SCWRL output # naming current conformation forecast-s_AL4-scwrl # ReadConformPDB reading from PDB file servers/forecast-s_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation forecast-s_AL5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1317077903.pdb -s /var/tmp/to_scwrl_1317077903.seq -o /var/tmp/from_scwrl_1317077903.pdb > /var/tmp/scwrl_1317077903.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1317077903.pdb # conformation set from SCWRL output # naming current conformation forecast-s_AL5-scwrl # ReadConformPDB reading from PDB file servers/gtg_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation gtg_AL1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_628027677.pdb -s /var/tmp/to_scwrl_628027677.seq -o /var/tmp/from_scwrl_628027677.pdb > /var/tmp/scwrl_628027677.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_628027677.pdb # conformation set from SCWRL output # naming current conformation gtg_AL1-scwrl # ReadConformPDB reading from PDB file servers/gtg_AL2.pdb.gz looking for model 1 Skipped atom 26, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL2.pdb.gz Skipped atom 28, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL2.pdb.gz Skipped atom 30, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL2.pdb.gz Skipped atom 32, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL2.pdb.gz Skipped atom 90, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL2.pdb.gz Skipped atom 92, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL2.pdb.gz Skipped atom 94, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL2.pdb.gz Skipped atom 96, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL2.pdb.gz Skipped atom 198, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL2.pdb.gz Skipped atom 200, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL2.pdb.gz Skipped atom 202, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL2.pdb.gz Skipped atom 204, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL2.pdb.gz Skipped atom 254, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL2.pdb.gz Skipped atom 256, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL2.pdb.gz Skipped atom 258, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL2.pdb.gz Skipped atom 260, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL2.pdb.gz Skipped atom 498, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL2.pdb.gz Skipped atom 500, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL2.pdb.gz Skipped atom 502, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL2.pdb.gz Skipped atom 504, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL2.pdb.gz # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation gtg_AL2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_361073571.pdb -s /var/tmp/to_scwrl_361073571.seq -o /var/tmp/from_scwrl_361073571.pdb > /var/tmp/scwrl_361073571.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_361073571.pdb # conformation set from SCWRL output # naming current conformation gtg_AL2-scwrl # ReadConformPDB reading from PDB file servers/gtg_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation gtg_AL3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_801873051.pdb -s /var/tmp/to_scwrl_801873051.seq -o /var/tmp/from_scwrl_801873051.pdb > /var/tmp/scwrl_801873051.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_801873051.pdb # conformation set from SCWRL output # naming current conformation gtg_AL3-scwrl # ReadConformPDB reading from PDB file servers/gtg_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation gtg_AL4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1918574545.pdb -s /var/tmp/to_scwrl_1918574545.seq -o /var/tmp/from_scwrl_1918574545.pdb > /var/tmp/scwrl_1918574545.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1918574545.pdb # conformation set from SCWRL output # naming current conformation gtg_AL4-scwrl # ReadConformPDB reading from PDB file servers/gtg_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation gtg_AL5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1154816149.pdb -s /var/tmp/to_scwrl_1154816149.seq -o /var/tmp/from_scwrl_1154816149.pdb > /var/tmp/scwrl_1154816149.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1154816149.pdb # conformation set from SCWRL output # naming current conformation gtg_AL5-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS1.pdb.gz looking for model 1 # Found a chain break before 217 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_804890955.pdb -s /var/tmp/to_scwrl_804890955.seq -o /var/tmp/from_scwrl_804890955.pdb > /var/tmp/scwrl_804890955.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_804890955.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.2_TS1-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS2.pdb.gz looking for model 1 # Found a chain break before 217 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_2064546173.pdb -s /var/tmp/to_scwrl_2064546173.seq -o /var/tmp/from_scwrl_2064546173.pdb > /var/tmp/scwrl_2064546173.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2064546173.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.2_TS2-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS3.pdb.gz looking for model 1 # Found a chain break before 204 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_808707647.pdb -s /var/tmp/to_scwrl_808707647.seq -o /var/tmp/from_scwrl_808707647.pdb > /var/tmp/scwrl_808707647.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_808707647.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.2_TS3-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS4.pdb.gz looking for model 1 # Found a chain break before 221 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_431758209.pdb -s /var/tmp/to_scwrl_431758209.seq -o /var/tmp/from_scwrl_431758209.pdb > /var/tmp/scwrl_431758209.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_431758209.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.2_TS4-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS5.pdb.gz looking for model 1 # Found a chain break before 217 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_457196402.pdb -s /var/tmp/to_scwrl_457196402.seq -o /var/tmp/from_scwrl_457196402.pdb > /var/tmp/scwrl_457196402.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_457196402.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.2_TS5-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS1.pdb.gz looking for model 1 WARNING: atoms too close: (T0303)G144.O and (T0303)Q145.N only 0.000 apart, marking (T0303)Q145.N as missing # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_833796993.pdb -s /var/tmp/to_scwrl_833796993.seq -o /var/tmp/from_scwrl_833796993.pdb > /var/tmp/scwrl_833796993.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_833796993.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS1-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS2.pdb.gz looking for model 1 WARNING: atoms too close: (T0303)H124.O and (T0303)V125.N only 0.000 apart, marking (T0303)V125.N as missing # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_159861825.pdb -s /var/tmp/to_scwrl_159861825.seq -o /var/tmp/from_scwrl_159861825.pdb > /var/tmp/scwrl_159861825.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_159861825.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS2-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS3.pdb.gz looking for model 1 # Found a chain break before 221 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_933760710.pdb -s /var/tmp/to_scwrl_933760710.seq -o /var/tmp/from_scwrl_933760710.pdb > /var/tmp/scwrl_933760710.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_933760710.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS3-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS4.pdb.gz looking for model 1 WARNING: atoms too close: (T0303)V116.O and (T0303)V117.N only 0.000 apart, marking (T0303)V117.N as missing # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1530038233.pdb -s /var/tmp/to_scwrl_1530038233.seq -o /var/tmp/from_scwrl_1530038233.pdb > /var/tmp/scwrl_1530038233.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1530038233.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS4-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS5.pdb.gz looking for model 1 WARNING: atoms too close: (T0303)P152.O and (T0303)H153.N only 0.000 apart, marking (T0303)H153.N as missing # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1507675399.pdb -s /var/tmp/to_scwrl_1507675399.seq -o /var/tmp/from_scwrl_1507675399.pdb > /var/tmp/scwrl_1507675399.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1507675399.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS5-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv_TS1.pdb.gz looking for model 1 # Found a chain break before 199 # copying to AlignedFragments data structure # naming current conformation karypis.srv_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1149693518.pdb -s /var/tmp/to_scwrl_1149693518.seq -o /var/tmp/from_scwrl_1149693518.pdb > /var/tmp/scwrl_1149693518.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1149693518.pdb # conformation set from SCWRL output # naming current conformation karypis.srv_TS1-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_82865953.pdb -s /var/tmp/to_scwrl_82865953.seq -o /var/tmp/from_scwrl_82865953.pdb > /var/tmp/scwrl_82865953.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_82865953.pdb # conformation set from SCWRL output # naming current conformation karypis.srv_TS2-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_927537055.pdb -s /var/tmp/to_scwrl_927537055.seq -o /var/tmp/from_scwrl_927537055.pdb > /var/tmp/scwrl_927537055.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_927537055.pdb # conformation set from SCWRL output # naming current conformation karypis.srv_TS3-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv_TS4.pdb.gz looking for model 1 # Found a chain break before 201 # copying to AlignedFragments data structure # naming current conformation karypis.srv_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1523076181.pdb -s /var/tmp/to_scwrl_1523076181.seq -o /var/tmp/from_scwrl_1523076181.pdb > /var/tmp/scwrl_1523076181.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1523076181.pdb # conformation set from SCWRL output # naming current conformation karypis.srv_TS4-scwrl # ReadConformPDB reading from PDB file servers/mGen-3D_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation mGen-3D_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1974565533.pdb -s /var/tmp/to_scwrl_1974565533.seq -o /var/tmp/from_scwrl_1974565533.pdb > /var/tmp/scwrl_1974565533.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1974565533.pdb # conformation set from SCWRL output # naming current conformation mGen-3D_TS1-scwrl # ReadConformPDB reading from PDB file servers/nFOLD_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation nFOLD_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_890990116.pdb -s /var/tmp/to_scwrl_890990116.seq -o /var/tmp/from_scwrl_890990116.pdb > /var/tmp/scwrl_890990116.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_890990116.pdb # conformation set from SCWRL output # naming current conformation nFOLD_TS1-scwrl # ReadConformPDB reading from PDB file servers/nFOLD_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation nFOLD_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_752629559.pdb -s /var/tmp/to_scwrl_752629559.seq -o /var/tmp/from_scwrl_752629559.pdb > /var/tmp/scwrl_752629559.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_752629559.pdb # conformation set from SCWRL output # naming current conformation nFOLD_TS2-scwrl # ReadConformPDB reading from PDB file servers/nFOLD_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation nFOLD_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_230013937.pdb -s /var/tmp/to_scwrl_230013937.seq -o /var/tmp/from_scwrl_230013937.pdb > /var/tmp/scwrl_230013937.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_230013937.pdb # conformation set from SCWRL output # naming current conformation nFOLD_TS3-scwrl # ReadConformPDB reading from PDB file servers/nFOLD_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation nFOLD_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_675736498.pdb -s /var/tmp/to_scwrl_675736498.seq -o /var/tmp/from_scwrl_675736498.pdb > /var/tmp/scwrl_675736498.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_675736498.pdb # conformation set from SCWRL output # naming current conformation nFOLD_TS4-scwrl # ReadConformPDB reading from PDB file servers/nFOLD_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation nFOLD_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_984663510.pdb -s /var/tmp/to_scwrl_984663510.seq -o /var/tmp/from_scwrl_984663510.pdb > /var/tmp/scwrl_984663510.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_984663510.pdb # conformation set from SCWRL output # naming current conformation nFOLD_TS5-scwrl # ReadConformPDB reading from PDB file servers/panther2_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation panther2_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_765197511.pdb -s /var/tmp/to_scwrl_765197511.seq -o /var/tmp/from_scwrl_765197511.pdb > /var/tmp/scwrl_765197511.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_765197511.pdb # conformation set from SCWRL output # naming current conformation panther2_TS1-scwrl # ReadConformPDB reading from PDB file servers/shub_TS1.pdb.gz looking for model 1 # Found a chain break before 223 # copying to AlignedFragments data structure # naming current conformation shub_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_414508412.pdb -s /var/tmp/to_scwrl_414508412.seq -o /var/tmp/from_scwrl_414508412.pdb > /var/tmp/scwrl_414508412.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_414508412.pdb # conformation set from SCWRL output # naming current conformation shub_TS1-scwrl # command:CPU_time= 53.4179 sec, elapsed time= 340.027 sec) # command:# Prefix for output files set to decoys/ # command:# Will now start reporting costs to decoys/evaluate_1.rdb # command:# CostConform Warning: Couldn't open file decoys//projects/compbio/experiments/undertaker/spots/near-backbone-center.spot or decoys//projects/compbio/experiments/undertaker/spots/near-backbone-center.spot.gz for input Trying /projects/compbio/experiments/undertaker/spots/near-backbone-center.spot # Reading spots from /projects/compbio/experiments/undertaker/spots/near-backbone-center.spot shub_TS1-scwrl costs 0 real_cost = 12.3733 shub_TS1 costs 0 real_cost = 23.974 panther2_TS1-scwrl costs 0 real_cost = 120.444 panther2_TS1 costs 0 real_cost = 135.561 nFOLD_TS5-scwrl costs 0 real_cost = 60.7947 nFOLD_TS5 costs 0 real_cost = 171.683 nFOLD_TS4-scwrl costs 0 real_cost = 94.6505 nFOLD_TS4 costs 0 real_cost = 208.071 nFOLD_TS3-scwrl costs 0 real_cost = 80.9332 nFOLD_TS3 costs 0 real_cost = 214.478 nFOLD_TS2-scwrl costs 0 real_cost = 43.4133 nFOLD_TS2 costs 0 real_cost = 154.718 nFOLD_TS1-scwrl costs 0 real_cost = 76.3696 nFOLD_TS1 costs 0 real_cost = 213.47 mGen-3D_TS1-scwrl costs 0 real_cost = 36.6035 mGen-3D_TS1 costs 0 real_cost = 149.306 karypis.srv_TS4-scwrl costs 0 real_cost = 105.548 karypis.srv_TS4 costs 0 real_cost = 105.548 karypis.srv_TS3-scwrl costs 0 real_cost = 101.508 karypis.srv_TS3 costs 0 real_cost = 101.777 karypis.srv_TS2-scwrl costs 0 real_cost = 25.1579 karypis.srv_TS2 costs 0 real_cost = 25.1562 karypis.srv_TS1-scwrl costs 0 real_cost = 36.7398 karypis.srv_TS1 costs 0 real_cost = 36.768 karypis.srv.4_TS5-scwrl costs 0 real_cost = 299.938 karypis.srv.4_TS5 costs 0 real_cost = 299.932 karypis.srv.4_TS4-scwrl costs 0 real_cost = 334.961 karypis.srv.4_TS4 costs 0 real_cost = 334.967 karypis.srv.4_TS3-scwrl costs 0 real_cost = 305.997 karypis.srv.4_TS3 costs 0 real_cost = 304.386 karypis.srv.4_TS2-scwrl costs 0 real_cost = 319.217 karypis.srv.4_TS2 costs 0 real_cost = 318.989 karypis.srv.4_TS1-scwrl costs 0 real_cost = 285.941 karypis.srv.4_TS1 costs 0 real_cost = 286.167 karypis.srv.2_TS5-scwrl costs 0 real_cost = 20.0911 karypis.srv.2_TS5 costs 0 real_cost = 20.0902 karypis.srv.2_TS4-scwrl costs 0 real_cost = 10.3086 karypis.srv.2_TS4 costs 0 real_cost = 10.2932 karypis.srv.2_TS3-scwrl costs 0 real_cost = 16.393 karypis.srv.2_TS3 costs 0 real_cost = 16.4188 karypis.srv.2_TS2-scwrl costs 0 real_cost = 31.9183 karypis.srv.2_TS2 costs 0 real_cost = 31.9132 karypis.srv.2_TS1-scwrl costs 0 real_cost = 16.9426 karypis.srv.2_TS1 costs 0 real_cost = 16.9426 gtg_AL5-scwrl costs 0 real_cost = 103.288 gtg_AL5 costs 0 real_cost = 230.418 gtg_AL4-scwrl costs 0 real_cost = 162.809 gtg_AL4 costs 0 real_cost = 300.036 gtg_AL3-scwrl costs 0 real_cost = 256.391 gtg_AL3 costs 0 real_cost = 381.064 gtg_AL2-scwrl costs 0 real_cost = 75.7508 gtg_AL2 costs 0 real_cost = 213.933 gtg_AL1-scwrl costs 0 real_cost = 271.728 gtg_AL1 costs 0 real_cost = 407.338 forecast-s_AL5-scwrl costs 0 real_cost = 185.396 forecast-s_AL5 costs 0 real_cost = 331.43 forecast-s_AL4-scwrl costs 0 real_cost = 141.826 forecast-s_AL4 costs 0 real_cost = 292.62 forecast-s_AL3-scwrl costs 0 real_cost = 104.954 forecast-s_AL3 costs 0 real_cost = 265.897 forecast-s_AL2-scwrl costs 0 real_cost = 26.5725 forecast-s_AL2 costs 0 real_cost = 196.153 forecast-s_AL1-scwrl costs 0 real_cost = 73.7309 forecast-s_AL1 costs 0 real_cost = 231.171 beautshotbase_TS1-scwrl costs 0 real_cost = 0.600154 beautshotbase_TS1 costs 0 real_cost = 8.09451 beautshot_TS1-scwrl costs 0 real_cost = -5.21149 beautshot_TS1 costs 0 real_cost = -3.83198 Zhang-Server_TS5-scwrl costs 0 real_cost = 80.5276 Zhang-Server_TS5 costs 0 real_cost = 82.1039 Zhang-Server_TS4-scwrl costs 0 real_cost = 81.3593 Zhang-Server_TS4 costs 0 real_cost = 88.4198 Zhang-Server_TS3-scwrl costs 0 real_cost = -3.47621 Zhang-Server_TS3 costs 0 real_cost = 6.47171 Zhang-Server_TS2-scwrl costs 0 real_cost = -44.2811 Zhang-Server_TS2 costs 0 real_cost = -37.6154 Zhang-Server_TS1-scwrl costs 0 real_cost = -47.1314 Zhang-Server_TS1 costs 0 real_cost = -44.5336 UNI-EID_sfst_AL5-scwrl costs 0 real_cost = 62.6546 UNI-EID_sfst_AL5 costs 0 real_cost = 212.967 UNI-EID_sfst_AL4-scwrl costs 0 real_cost = 52.0188 UNI-EID_sfst_AL4 costs 0 real_cost = 201.784 UNI-EID_sfst_AL3-scwrl costs 0 real_cost = 36.2677 UNI-EID_sfst_AL3 costs 0 real_cost = 211.969 UNI-EID_sfst_AL2-scwrl costs 0 real_cost = 56.1567 UNI-EID_sfst_AL2 costs 0 real_cost = 203.552 UNI-EID_sfst_AL1-scwrl costs 0 real_cost = 25.6902 UNI-EID_sfst_AL1 costs 0 real_cost = 177.875 UNI-EID_expm_TS1-scwrl costs 0 real_cost = 125.455 UNI-EID_expm_TS1 costs 0 real_cost = 125.449 UNI-EID_bnmx_TS5-scwrl costs 0 real_cost = 61.6669 UNI-EID_bnmx_TS5 costs 0 real_cost = 212.965 UNI-EID_bnmx_TS4-scwrl costs 0 real_cost = 53.213 UNI-EID_bnmx_TS4 costs 0 real_cost = 200.554 UNI-EID_bnmx_TS3-scwrl costs 0 real_cost = 88.3379 UNI-EID_bnmx_TS3 costs 0 real_cost = 260.265 UNI-EID_bnmx_TS2-scwrl costs 0 real_cost = 50.3429 UNI-EID_bnmx_TS2 costs 0 real_cost = 200.582 UNI-EID_bnmx_TS1-scwrl costs 0 real_cost = 25.6902 UNI-EID_bnmx_TS1 costs 0 real_cost = 177.875 SPARKS2_TS5-scwrl costs 0 real_cost = 24.5772 SPARKS2_TS5 costs 0 real_cost = 30.5828 SPARKS2_TS4-scwrl costs 0 real_cost = 87.1955 SPARKS2_TS4 costs 0 real_cost = 96.8219 SPARKS2_TS3-scwrl costs 0 real_cost = 58.8044 SPARKS2_TS3 costs 0 real_cost = 60.9547 SPARKS2_TS2-scwrl costs 0 real_cost = -15.4495 SPARKS2_TS2 costs 0 real_cost = -8.64201 SPARKS2_TS1-scwrl costs 0 real_cost = 23.3125 SPARKS2_TS1 costs 0 real_cost = 29.968 SP4_TS5-scwrl costs 0 real_cost = 9.38339 SP4_TS5 costs 0 real_cost = 12.8097 SP4_TS4-scwrl costs 0 real_cost = 94.301 SP4_TS4 costs 0 real_cost = 96.9086 SP4_TS3-scwrl costs 0 real_cost = 7.34397 SP4_TS3 costs 0 real_cost = 13.7627 SP4_TS2-scwrl costs 0 real_cost = 40.1371 SP4_TS2 costs 0 real_cost = 48.2533 SP4_TS1-scwrl costs 0 real_cost = -3.37982 SP4_TS1 costs 0 real_cost = 6.84906 SP3_TS5-scwrl costs 0 real_cost = 8.34637 SP3_TS5 costs 0 real_cost = 15.0757 SP3_TS4-scwrl costs 0 real_cost = 29.3511 SP3_TS4 costs 0 real_cost = 30.9132 SP3_TS3-scwrl costs 0 real_cost = 88.1623 SP3_TS3 costs 0 real_cost = 95.7098 SP3_TS2-scwrl costs 0 real_cost = 65.1522 SP3_TS2 costs 0 real_cost = 74.7625 SP3_TS1-scwrl costs 0 real_cost = -3.37982 SP3_TS1 costs 0 real_cost = 6.84906 SAM_T06_server_TS5-scwrl costs 0 real_cost = 59.3267 SAM_T06_server_TS5 costs 0 real_cost = 37.1867 SAM_T06_server_TS4-scwrl costs 0 real_cost = 109.792 SAM_T06_server_TS4 costs 0 real_cost = 71.4542 SAM_T06_server_TS3-scwrl costs 0 real_cost = 99.816 SAM_T06_server_TS3 costs 0 real_cost = 68.9219 SAM_T06_server_TS2-scwrl costs 0 real_cost = 25.4682 SAM_T06_server_TS2 costs 0 real_cost = 19.8396 SAM_T06_server_TS1-scwrl costs 0 real_cost = 86.6088 SAM_T06_server_TS1 costs 0 real_cost = 86.6041 SAM-T99_AL5-scwrl costs 0 real_cost = 37.8125 SAM-T99_AL5 costs 0 real_cost = 199.574 SAM-T99_AL4-scwrl costs 0 real_cost = 69.4155 SAM-T99_AL4 costs 0 real_cost = 227.912 SAM-T99_AL3-scwrl costs 0 real_cost = 77.1128 SAM-T99_AL3 costs 0 real_cost = 222.731 SAM-T99_AL2-scwrl costs 0 real_cost = 52.6554 SAM-T99_AL2 costs 0 real_cost = 196.455 SAM-T99_AL1-scwrl costs 0 real_cost = 42.6133 SAM-T99_AL1 costs 0 real_cost = 184.404 SAM-T02_AL5-scwrl costs 0 real_cost = 47.3632 SAM-T02_AL5 costs 0 real_cost = 195.875 SAM-T02_AL4-scwrl costs 0 real_cost = 63.0097 SAM-T02_AL4 costs 0 real_cost = 213.449 SAM-T02_AL3-scwrl costs 0 real_cost = 93.5261 SAM-T02_AL3 costs 0 real_cost = 249.107 SAM-T02_AL2-scwrl costs 0 real_cost = 100.578 SAM-T02_AL2 costs 0 real_cost = 260.77 SAM-T02_AL1-scwrl costs 0 real_cost = 25.3267 SAM-T02_AL1 costs 0 real_cost = 171.106 ROKKY_TS5-scwrl costs 0 real_cost = 19.3936 ROKKY_TS5 costs 0 real_cost = 24.3226 ROKKY_TS4-scwrl costs 0 real_cost = 71.5483 ROKKY_TS4 costs 0 real_cost = 78.8837 ROKKY_TS3-scwrl costs 0 real_cost = 66.3508 ROKKY_TS3 costs 0 real_cost = 71.0343 ROKKY_TS2-scwrl costs 0 real_cost = 62.1524 ROKKY_TS2 costs 0 real_cost = 64.8535 ROKKY_TS1-scwrl costs 0 real_cost = -27.8049 ROKKY_TS1 costs 0 real_cost = -20.2901 ROBETTA_TS5-scwrl costs 0 real_cost = 27.2863 ROBETTA_TS5 costs 0 real_cost = 31.7822 ROBETTA_TS4-scwrl costs 0 real_cost = -24.1388 ROBETTA_TS4 costs 0 real_cost = -20.5529 ROBETTA_TS3-scwrl costs 0 real_cost = -29.106 ROBETTA_TS3 costs 0 real_cost = -27.0158 ROBETTA_TS2-scwrl costs 0 real_cost = 12.0905 ROBETTA_TS2 costs 0 real_cost = 10.1969 ROBETTA_TS1-scwrl costs 0 real_cost = 11.5606 ROBETTA_TS1 costs 0 real_cost = 11.3909 RAPTOR_TS5-scwrl costs 0 real_cost = 99.9041 RAPTOR_TS5 costs 0 real_cost = 104.674 RAPTOR_TS4-scwrl costs 0 real_cost = 5.74151 RAPTOR_TS4 costs 0 real_cost = 14.9951 RAPTOR_TS3-scwrl costs 0 real_cost = 40.3926 RAPTOR_TS3 costs 0 real_cost = 47.3969 RAPTOR_TS2-scwrl costs 0 real_cost = -6.07676 RAPTOR_TS2 costs 0 real_cost = -1.01124 RAPTOR_TS1-scwrl costs 0 real_cost = 9.97089 RAPTOR_TS1 costs 0 real_cost = 14.5824 RAPTORESS_TS5-scwrl costs 0 real_cost = 70.1425 RAPTORESS_TS5 costs 0 real_cost = 77.9264 RAPTORESS_TS4-scwrl costs 0 real_cost = 16.4054 RAPTORESS_TS4 costs 0 real_cost = 23.2377 RAPTORESS_TS3-scwrl costs 0 real_cost = 51.8468 RAPTORESS_TS3 costs 0 real_cost = 58.5035 RAPTORESS_TS2-scwrl costs 0 real_cost = 2.34206 RAPTORESS_TS2 costs 0 real_cost = 6.88094 RAPTORESS_TS1-scwrl costs 0 real_cost = 13.5196 RAPTORESS_TS1 costs 0 real_cost = 23.6993 RAPTOR-ACE_TS5-scwrl costs 0 real_cost = 75.4884 RAPTOR-ACE_TS5 costs 0 real_cost = 79.8768 RAPTOR-ACE_TS4-scwrl costs 0 real_cost = -9.22888 RAPTOR-ACE_TS4 costs 0 real_cost = -0.279896 RAPTOR-ACE_TS3-scwrl costs 0 real_cost = -4.52684 RAPTOR-ACE_TS3 costs 0 real_cost = 1.86091 RAPTOR-ACE_TS2-scwrl costs 0 real_cost = -3.37982 RAPTOR-ACE_TS2 costs 0 real_cost = 6.84906 RAPTOR-ACE_TS1-scwrl costs 0 real_cost = -14.4063 RAPTOR-ACE_TS1 costs 0 real_cost = -7.51934 Pmodeller6_TS5-scwrl costs 0 real_cost = -24.1388 Pmodeller6_TS5 costs 0 real_cost = -20.5529 Pmodeller6_TS4-scwrl costs 0 real_cost = -21.9403 Pmodeller6_TS4 costs 0 real_cost = -21.9369 Pmodeller6_TS3-scwrl costs 0 real_cost = -21.9403 Pmodeller6_TS3 costs 0 real_cost = -21.9369 Pmodeller6_TS2-scwrl costs 0 real_cost = -20.6161 Pmodeller6_TS2 costs 0 real_cost = -20.5314 Pmodeller6_TS1-scwrl costs 0 real_cost = -29.106 Pmodeller6_TS1 costs 0 real_cost = -27.0158 Phyre-2_TS5-scwrl costs 0 real_cost = 17.1232 Phyre-2_TS5 costs 0 real_cost = 20.6309 Phyre-2_TS4-scwrl costs 0 real_cost = 16.534 Phyre-2_TS4 costs 0 real_cost = 17.2634 Phyre-2_TS3-scwrl costs 0 real_cost = 16.6573 Phyre-2_TS3 costs 0 real_cost = 17.2028 Phyre-2_TS2-scwrl costs 0 real_cost = 16.5459 Phyre-2_TS2 costs 0 real_cost = 17.0913 Phyre-2_TS1-scwrl costs 0 real_cost = 17.7931 Phyre-2_TS1 costs 0 real_cost = 20.3069 Phyre-1_TS1-scwrl costs 0 real_cost = 32.8676 Phyre-1_TS1 costs 0 real_cost = 32.9078 Pcons6_TS5-scwrl costs 0 real_cost = -23.2877 Pcons6_TS5 costs 0 real_cost = -23.2882 Pcons6_TS4-scwrl costs 0 real_cost = -21.9403 Pcons6_TS4 costs 0 real_cost = -21.9369 Pcons6_TS3-scwrl costs 0 real_cost = -6.33175 Pcons6_TS3 costs 0 real_cost = -6.03098 Pcons6_TS2-scwrl costs 0 real_cost = -20.6161 Pcons6_TS2 costs 0 real_cost = -20.5314 Pcons6_TS1-scwrl costs 0 real_cost = -23.2545 Pcons6_TS1 costs 0 real_cost = -24.0169 PROTINFO_TS5-scwrl costs 0 real_cost = 44.2926 PROTINFO_TS5 costs 0 real_cost = 42.9116 PROTINFO_TS4-scwrl costs 0 real_cost = 89.3216 PROTINFO_TS4 costs 0 real_cost = 90.6001 PROTINFO_TS3-scwrl costs 0 real_cost = 100.98 PROTINFO_TS3 costs 0 real_cost = 99.8453 PROTINFO_TS2-scwrl costs 0 real_cost = 88.8515 PROTINFO_TS2 costs 0 real_cost = 86.7676 PROTINFO_TS1-scwrl costs 0 real_cost = 5.72553 PROTINFO_TS1 costs 0 real_cost = 7.09699 PROTINFO-AB_TS5-scwrl costs 0 real_cost = 110.579 PROTINFO-AB_TS5 costs 0 real_cost = 104.129 PROTINFO-AB_TS4-scwrl costs 0 real_cost = 123.473 PROTINFO-AB_TS4 costs 0 real_cost = 115.607 PROTINFO-AB_TS3-scwrl costs 0 real_cost = 128.523 PROTINFO-AB_TS3 costs 0 real_cost = 133.368 PROTINFO-AB_TS2-scwrl costs 0 real_cost = 93.0774 PROTINFO-AB_TS2 costs 0 real_cost = 91.9811 PROTINFO-AB_TS1-scwrl costs 0 real_cost = 89.3216 PROTINFO-AB_TS1 costs 0 real_cost = 90.6001 NN_PUT_lab_TS1-scwrl costs 0 real_cost = 15.8601 NN_PUT_lab_TS1 costs 0 real_cost = 24.043 MetaTasser_TS5-scwrl costs 0 real_cost = 13.7124 MetaTasser_TS5 costs 0 real_cost = 13.7988 MetaTasser_TS4-scwrl costs 0 real_cost = 10.6521 MetaTasser_TS4 costs 0 real_cost = 12.9171 MetaTasser_TS3-scwrl costs 0 real_cost = 48.313 MetaTasser_TS3 costs 0 real_cost = 43.4042 MetaTasser_TS2-scwrl costs 0 real_cost = -18.7701 MetaTasser_TS2 costs 0 real_cost = -16.5099 MetaTasser_TS1-scwrl costs 0 real_cost = -40.1963 MetaTasser_TS1 costs 0 real_cost = -41.7333 Ma-OPUS-server_TS5-scwrl costs 0 real_cost = 23.514 Ma-OPUS-server_TS5 costs 0 real_cost = 24.3678 Ma-OPUS-server_TS4-scwrl costs 0 real_cost = 69.5497 Ma-OPUS-server_TS4 costs 0 real_cost = 73.4132 Ma-OPUS-server_TS3-scwrl costs 0 real_cost = -5.19349 Ma-OPUS-server_TS3 costs 0 real_cost = -0.0987191 Ma-OPUS-server_TS2-scwrl costs 0 real_cost = 13.9262 Ma-OPUS-server_TS2 costs 0 real_cost = 25.2665 Ma-OPUS-server_TS1-scwrl costs 0 real_cost = 67.4552 Ma-OPUS-server_TS1 costs 0 real_cost = 73.5149 MIG_FROST_AL1-scwrl costs 0 real_cost = 629.476 MIG_FROST_AL1 costs 0 real_cost = 464.213 LOOPP_TS5-scwrl costs 0 real_cost = 18.141 LOOPP_TS5 costs 0 real_cost = 22.2762 LOOPP_TS4-scwrl costs 0 real_cost = 37.246 LOOPP_TS4 costs 0 real_cost = 45.214 LOOPP_TS3-scwrl costs 0 real_cost = 25.6199 LOOPP_TS3 costs 0 real_cost = 25.7014 LOOPP_TS2-scwrl costs 0 real_cost = 39.9746 LOOPP_TS2 costs 0 real_cost = 47.1603 LOOPP_TS1-scwrl costs 0 real_cost = 15.8601 LOOPP_TS1 costs 0 real_cost = 24.043 Huber-Torda-Server_TS5-scwrl costs 0 real_cost = 128.323 Huber-Torda-Server_TS5 costs 0 real_cost = 229.813 Huber-Torda-Server_TS4-scwrl costs 0 real_cost = 143.277 Huber-Torda-Server_TS4 costs 0 real_cost = 244.626 Huber-Torda-Server_TS3-scwrl costs 0 real_cost = 118.247 Huber-Torda-Server_TS3 costs 0 real_cost = 190.504 Huber-Torda-Server_TS2-scwrl costs 0 real_cost = 57.6842 Huber-Torda-Server_TS2 costs 0 real_cost = 176.683 Huber-Torda-Server_TS1-scwrl costs 0 real_cost = 81.4099 Huber-Torda-Server_TS1 costs 0 real_cost = 170.617 HHpred3_TS1-scwrl costs 0 real_cost = -33.4633 HHpred3_TS1 costs 0 real_cost = -27.1 HHpred2_TS1-scwrl costs 0 real_cost = -33.4633 HHpred2_TS1 costs 0 real_cost = -27.1 HHpred1_TS1-scwrl costs 0 real_cost = -15.1123 HHpred1_TS1 costs 0 real_cost = -14.3495 GeneSilicoMetaServer_TS5-scwrl costs 0 real_cost = 38.2985 GeneSilicoMetaServer_TS5 costs 0 real_cost = 41.5411 GeneSilicoMetaServer_TS4-scwrl costs 0 real_cost = 35.4648 GeneSilicoMetaServer_TS4 costs 0 real_cost = 40.7312 GeneSilicoMetaServer_TS3-scwrl costs 0 real_cost = -7.59156 GeneSilicoMetaServer_TS3 costs 0 real_cost = -1.45999 GeneSilicoMetaServer_TS2-scwrl costs 0 real_cost = 19.6765 GeneSilicoMetaServer_TS2 costs 0 real_cost = 24.0856 GeneSilicoMetaServer_TS1-scwrl costs 0 real_cost = -16.6814 GeneSilicoMetaServer_TS1 costs 0 real_cost = -11.3618 FUNCTION_TS5-scwrl costs 0 real_cost = -5.36307 FUNCTION_TS5 costs 0 real_cost = -1.12617 FUNCTION_TS4-scwrl costs 0 real_cost = 33.8048 FUNCTION_TS4 costs 0 real_cost = 34.2968 FUNCTION_TS3-scwrl costs 0 real_cost = 43.2277 FUNCTION_TS3 costs 0 real_cost = 46.839 FUNCTION_TS2-scwrl costs 0 real_cost = -2.01042 FUNCTION_TS2 costs 0 real_cost = 5.11384 FUNCTION_TS1-scwrl costs 0 real_cost = -5.66733 FUNCTION_TS1 costs 0 real_cost = -0.102683 FUGUE_AL5-scwrl costs 0 real_cost = 198.153 FUGUE_AL5 costs 0 real_cost = 339.32 FUGUE_AL4-scwrl costs 0 real_cost = 292.137 FUGUE_AL4 costs 0 real_cost = 407.306 FUGUE_AL3-scwrl costs 0 real_cost = 162.955 FUGUE_AL3 costs 0 real_cost = 283.659 FUGUE_AL2-scwrl costs 0 real_cost = 36.6015 FUGUE_AL2 costs 0 real_cost = 214.523 FUGUE_AL1-scwrl costs 0 real_cost = 70.4464 FUGUE_AL1 costs 0 real_cost = 203.684 FUGMOD_TS5-scwrl costs 0 real_cost = 193.602 FUGMOD_TS5 costs 0 real_cost = 190.58 FUGMOD_TS4-scwrl costs 0 real_cost = 257.17 FUGMOD_TS4 costs 0 real_cost = 263.734 FUGMOD_TS3-scwrl costs 0 real_cost = 101.942 FUGMOD_TS3 costs 0 real_cost = 106.718 FUGMOD_TS2-scwrl costs 0 real_cost = 18.4394 FUGMOD_TS2 costs 0 real_cost = 24.1329 FUGMOD_TS1-scwrl costs 0 real_cost = -3.66419 FUGMOD_TS1 costs 0 real_cost = 5.91237 FPSOLVER-SERVER_TS5-scwrl costs 0 real_cost = 289.653 FPSOLVER-SERVER_TS5 costs 0 real_cost = 294.475 FPSOLVER-SERVER_TS4-scwrl costs 0 real_cost = 286.83 FPSOLVER-SERVER_TS4 costs 0 real_cost = 292.24 FPSOLVER-SERVER_TS3-scwrl costs 0 real_cost = 275.948 FPSOLVER-SERVER_TS3 costs 0 real_cost = 279.664 FPSOLVER-SERVER_TS2-scwrl costs 0 real_cost = 292.08 FPSOLVER-SERVER_TS2 costs 0 real_cost = 294.991 FPSOLVER-SERVER_TS1-scwrl costs 0 real_cost = 272.463 FPSOLVER-SERVER_TS1 costs 0 real_cost = 272.957 FORTE2_AL5-scwrl costs 0 real_cost = 105.259 FORTE2_AL5 costs 0 real_cost = 259.181 FORTE2_AL4-scwrl costs 0 real_cost = 213.094 FORTE2_AL4 costs 0 real_cost = 372.787 FORTE2_AL3-scwrl costs 0 real_cost = 97.2619 FORTE2_AL3 costs 0 real_cost = 262.168 FORTE2_AL2-scwrl costs 0 real_cost = 71.122 FORTE2_AL2 costs 0 real_cost = 225.607 FORTE2_AL1-scwrl costs 0 real_cost = 36.2081 FORTE2_AL1 costs 0 real_cost = 190.633 FORTE1_AL5-scwrl costs 0 real_cost = 105.094 FORTE1_AL5 costs 0 real_cost = 258.324 FORTE1_AL4-scwrl costs 0 real_cost = 197.351 FORTE1_AL4 costs 0 real_cost = 358.718 FORTE1_AL3-scwrl costs 0 real_cost = 71.122 FORTE1_AL3 costs 0 real_cost = 225.607 FORTE1_AL2-scwrl costs 0 real_cost = 98.5208 FORTE1_AL2 costs 0 real_cost = 262.911 FORTE1_AL1-scwrl costs 0 real_cost = 34.4798 FORTE1_AL1 costs 0 real_cost = 192.061 FOLDpro_TS5-scwrl costs 0 real_cost = 287.408 FOLDpro_TS5 costs 0 real_cost = 289.918 FOLDpro_TS4-scwrl costs 0 real_cost = 211.267 FOLDpro_TS4 costs 0 real_cost = 219.091 FOLDpro_TS3-scwrl costs 0 real_cost = 286.538 FOLDpro_TS3 costs 0 real_cost = 290.72 FOLDpro_TS2-scwrl costs 0 real_cost = 262.667 FOLDpro_TS2 costs 0 real_cost = 273.353 FOLDpro_TS1-scwrl costs 0 real_cost = -41.9788 FOLDpro_TS1 costs 0 real_cost = -25.5028 FAMS_TS5-scwrl costs 0 real_cost = -2.01042 FAMS_TS5 costs 0 real_cost = 5.11384 FAMS_TS4-scwrl costs 0 real_cost = -7.60187 FAMS_TS4 costs 0 real_cost = 0.350897 FAMS_TS3-scwrl costs 0 real_cost = -7.60187 FAMS_TS3 costs 0 real_cost = 0.350897 FAMS_TS2-scwrl costs 0 real_cost = -7.31985 FAMS_TS2 costs 0 real_cost = 4.67761 FAMS_TS1-scwrl costs 0 real_cost = -5.97756 FAMS_TS1 costs 0 real_cost = 3.4353 FAMSD_TS5-scwrl costs 0 real_cost = -13.7761 FAMSD_TS5 costs 0 real_cost = -6.50512 FAMSD_TS4-scwrl costs 0 real_cost = -7.60187 FAMSD_TS4 costs 0 real_cost = 0.350897 FAMSD_TS3-scwrl costs 0 real_cost = -7.18215 FAMSD_TS3 costs 0 real_cost = 0.291246 FAMSD_TS2-scwrl costs 0 real_cost = 4.5939 FAMSD_TS2 costs 0 real_cost = 10.7343 FAMSD_TS1-scwrl costs 0 real_cost = -7.31985 FAMSD_TS1 costs 0 real_cost = 4.67761 Distill_TS5-scwrl costs 0 real_cost = 482.32 Distill_TS4-scwrl costs 0 real_cost = 476.249 Distill_TS3-scwrl costs 0 real_cost = 474.877 Distill_TS2-scwrl costs 0 real_cost = 476.432 Distill_TS1-scwrl costs 0 real_cost = 465.578 CaspIta-FOX_TS5-scwrl costs 0 real_cost = 89.7809 CaspIta-FOX_TS5 costs 0 real_cost = 85.8382 CaspIta-FOX_TS4-scwrl costs 0 real_cost = 98.8227 CaspIta-FOX_TS4 costs 0 real_cost = 98.9133 CaspIta-FOX_TS3-scwrl costs 0 real_cost = 7.4542 CaspIta-FOX_TS3 costs 0 real_cost = 15.0976 CaspIta-FOX_TS2-scwrl costs 0 real_cost = 52.4535 CaspIta-FOX_TS2 costs 0 real_cost = 50.921 CaspIta-FOX_TS1-scwrl costs 0 real_cost = 14.8206 CaspIta-FOX_TS1 costs 0 real_cost = 8.79612 CPHmodels_TS1-scwrl costs 0 real_cost = 188.607 CPHmodels_TS1 costs 0 real_cost = 196.377 CIRCLE_TS5-scwrl costs 0 real_cost = -7.18215 CIRCLE_TS5 costs 0 real_cost = 0.291246 CIRCLE_TS4-scwrl costs 0 real_cost = -7.60187 CIRCLE_TS4 costs 0 real_cost = 0.350897 CIRCLE_TS3-scwrl costs 0 real_cost = -2.01042 CIRCLE_TS3 costs 0 real_cost = 5.11384 CIRCLE_TS2-scwrl costs 0 real_cost = -5.66733 CIRCLE_TS2 costs 0 real_cost = -0.102683 CIRCLE_TS1-scwrl costs 0 real_cost = -7.31985 CIRCLE_TS1 costs 0 real_cost = 4.67761 Bilab-ENABLE_TS5-scwrl costs 0 real_cost = 83.0991 Bilab-ENABLE_TS5 costs 0 real_cost = 83.3905 Bilab-ENABLE_TS4-scwrl costs 0 real_cost = 77.7218 Bilab-ENABLE_TS4 costs 0 real_cost = 77.7218 Bilab-ENABLE_TS3-scwrl costs 0 real_cost = 1.12114 Bilab-ENABLE_TS3 costs 0 real_cost = 0.621373 Bilab-ENABLE_TS2-scwrl costs 0 real_cost = 60.6117 Bilab-ENABLE_TS2 costs 0 real_cost = 60.6117 Bilab-ENABLE_TS1-scwrl costs 0 real_cost = 20.7897 Bilab-ENABLE_TS1 costs 0 real_cost = 20.7897 BayesHH_TS1-scwrl costs 0 real_cost = -27.2266 BayesHH_TS1 costs 0 real_cost = -23.9927 ABIpro_TS5-scwrl costs 0 real_cost = 216.228 ABIpro_TS5 costs 0 real_cost = 216.855 ABIpro_TS4-scwrl costs 0 real_cost = 243.762 ABIpro_TS4 costs 0 real_cost = 243.752 ABIpro_TS3-scwrl costs 0 real_cost = 268.114 ABIpro_TS3 costs 0 real_cost = 268.114 ABIpro_TS2-scwrl costs 0 real_cost = 249.498 ABIpro_TS2 costs 0 real_cost = 249.381 ABIpro_TS1-scwrl costs 0 real_cost = 250.063 ABIpro_TS1 costs 0 real_cost = 250.05 3Dpro_TS5-scwrl costs 0 real_cost = 273.175 3Dpro_TS5 costs 0 real_cost = 271.777 3Dpro_TS4-scwrl costs 0 real_cost = 283.077 3Dpro_TS4 costs 0 real_cost = 287.083 3Dpro_TS3-scwrl costs 0 real_cost = 291.229 3Dpro_TS3 costs 0 real_cost = 291.3 3Dpro_TS2-scwrl costs 0 real_cost = 277.4 3Dpro_TS2 costs 0 real_cost = 276.541 3Dpro_TS1-scwrl costs 0 real_cost = -43.9443 3Dpro_TS1 costs 0 real_cost = -40.4236 3D-JIGSAW_TS5-scwrl costs 0 real_cost = 128.069 3D-JIGSAW_TS5 costs 0 real_cost = 118.898 3D-JIGSAW_TS4-scwrl costs 0 real_cost = 161.653 3D-JIGSAW_TS4 costs 0 real_cost = 174.751 3D-JIGSAW_TS3-scwrl costs 0 real_cost = 154.183 3D-JIGSAW_TS3 costs 0 real_cost = 155.08 3D-JIGSAW_TS2-scwrl costs 0 real_cost = 162.085 3D-JIGSAW_TS2 costs 0 real_cost = 163.764 3D-JIGSAW_TS1-scwrl costs 0 real_cost = 185.475 3D-JIGSAW_TS1 costs 0 real_cost = 190.194 3D-JIGSAW_RECOM_TS5-scwrl costs 0 real_cost = 116.137 3D-JIGSAW_RECOM_TS5 costs 0 real_cost = 114.359 3D-JIGSAW_RECOM_TS4-scwrl costs 0 real_cost = 101.497 3D-JIGSAW_RECOM_TS4 costs 0 real_cost = 97.1144 3D-JIGSAW_RECOM_TS3-scwrl costs 0 real_cost = 100.382 3D-JIGSAW_RECOM_TS3 costs 0 real_cost = 92.8367 3D-JIGSAW_RECOM_TS2-scwrl costs 0 real_cost = 99.7843 3D-JIGSAW_RECOM_TS2 costs 0 real_cost = 93.7415 3D-JIGSAW_RECOM_TS1-scwrl costs 0 real_cost = 131.199 3D-JIGSAW_RECOM_TS1 costs 0 real_cost = 123.912 3D-JIGSAW_POPULUS_TS5-scwrl costs 0 real_cost = 95.5562 3D-JIGSAW_POPULUS_TS5 costs 0 real_cost = 88.1894 3D-JIGSAW_POPULUS_TS4-scwrl costs 0 real_cost = 114.661 3D-JIGSAW_POPULUS_TS4 costs 0 real_cost = 106.452 3D-JIGSAW_POPULUS_TS3-scwrl costs 0 real_cost = 107.368 3D-JIGSAW_POPULUS_TS3 costs 0 real_cost = 100.001 3D-JIGSAW_POPULUS_TS2-scwrl costs 0 real_cost = 121.254 3D-JIGSAW_POPULUS_TS2 costs 0 real_cost = 113.509 3D-JIGSAW_POPULUS_TS1-scwrl costs 0 real_cost = 119.697 3D-JIGSAW_POPULUS_TS1 costs 0 real_cost = 112.286 chimera2.pdb.gz costs 0 real_cost = 22.4562 chimera1.pdb.gz costs 0 real_cost = -5.6981 T0303.try9-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 0.911996 T0303.try9-opt2.pdb.gz costs 0 real_cost = 1.55286 T0303.try9-opt2.gromacs0.pdb.gz costs 0 real_cost = 2.74816 T0303.try9-opt1.pdb.gz costs 0 real_cost = 1.30837 T0303.try9-opt1-scwrl.pdb.gz costs 0 real_cost = 1.26895 T0303.try8-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 33.2887 T0303.try8-opt2.pdb.gz costs 0 real_cost = 34.6456 T0303.try8-opt2.gromacs0.pdb.gz costs 0 real_cost = 34.4182 T0303.try8-opt1.pdb.gz costs 0 real_cost = 31.3457 T0303.try8-opt1-scwrl.pdb.gz costs 0 real_cost = 28.8537 T0303.try7-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -1.49007 T0303.try7-opt2.pdb.gz costs 0 real_cost = -1.81348 T0303.try7-opt2.gromacs0.pdb.gz costs 0 real_cost = 1.15274 T0303.try7-opt1.pdb.gz costs 0 real_cost = -3.53067 T0303.try7-opt1-scwrl.pdb.gz costs 0 real_cost = -2.35562 T0303.try6-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 107.184 T0303.try6-opt2.pdb.gz costs 0 real_cost = 107.8 T0303.try6-opt2.gromacs0.pdb.gz costs 0 real_cost = 103.254 T0303.try6-opt1.pdb.gz costs 0 real_cost = 98.5276 T0303.try6-opt1-scwrl.pdb.gz costs 0 real_cost = 101.563 T0303.try5-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 115.65 T0303.try5-opt2.pdb.gz costs 0 real_cost = 114.47 T0303.try5-opt2.gromacs0.pdb.gz costs 0 real_cost = 116.896 T0303.try5-opt1.pdb.gz costs 0 real_cost = 109.787 T0303.try5-opt1-scwrl.pdb.gz costs 0 real_cost = 108.995 T0303.try4-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 90.2161 T0303.try4-opt2.pdb.gz costs 0 real_cost = 92.6036 T0303.try4-opt2.gromacs0.pdb.gz costs 0 real_cost = 95.2592 T0303.try4-opt1.pdb.gz costs 0 real_cost = 88.5376 T0303.try4-opt1-scwrl.pdb.gz costs 0 real_cost = 87.0358 T0303.try3-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -21.6431 T0303.try3-opt2.pdb.gz costs 0 real_cost = -23.5761 T0303.try3-opt2.gromacs0.pdb.gz costs 0 real_cost = -24.2971 T0303.try3-opt1.pdb.gz costs 0 real_cost = -24.9277 T0303.try3-opt1-scwrl.pdb.gz costs 0 real_cost = -25.0676 T0303.try2-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 74.6566 T0303.try2-opt2.pdb.gz costs 0 real_cost = 74.2363 T0303.try2-opt2.gromacs0.pdb.gz costs 0 real_cost = 74.983 T0303.try2-opt1.pdb.gz costs 0 real_cost = 75.1517 T0303.try2-opt1-scwrl.pdb.gz costs 0 real_cost = 76.4048 T0303.try17-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 23.6959 T0303.try17-opt2.pdb.gz costs 0 real_cost = 31.1737 T0303.try17-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = 28.9504 T0303.try17-opt2.gromacs0.pdb.gz costs 0 real_cost = 33.4909 T0303.try17-opt1.pdb.gz costs 0 real_cost = 30.6477 T0303.try17-opt1-scwrl.pdb.gz costs 0 real_cost = 29.3237 T0303.try16-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 4.74208 T0303.try16-opt2.pdb.gz costs 0 real_cost = 4.62179 T0303.try16-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = 1.4651 T0303.try16-opt2.gromacs0.pdb.gz costs 0 real_cost = 3.2824 T0303.try16-opt1.pdb.gz costs 0 real_cost = 2.48147 T0303.try16-opt1-scwrl.pdb.gz costs 0 real_cost = 3.25017 T0303.try15-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 11.4561 T0303.try15-opt2.pdb.gz costs 0 real_cost = 10.8266 T0303.try15-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = 10.0776 T0303.try15-opt2.gromacs0.pdb.gz costs 0 real_cost = 10.1951 T0303.try15-opt1.pdb.gz costs 0 real_cost = 8.91292 T0303.try15-opt1-scwrl.pdb.gz costs 0 real_cost = 8.90471 T0303.try14-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -14.7319 T0303.try14-opt2.pdb.gz costs 0 real_cost = -12.7659 T0303.try14-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = -11.1574 T0303.try14-opt2.gromacs0.pdb.gz costs 0 real_cost = -9.48184 T0303.try14-opt1.pdb.gz costs 0 real_cost = -13.6149 T0303.try14-opt1-scwrl.pdb.gz costs 0 real_cost = -13.7658 T0303.try13-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -12.7287 T0303.try13-opt2.pdb.gz costs 0 real_cost = -11.9159 T0303.try13-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = -7.48168 T0303.try13-opt2.gromacs0.pdb.gz costs 0 real_cost = -7.50512 T0303.try13-opt1.pdb.gz costs 0 real_cost = -16.156 T0303.try13-opt1-scwrl.pdb.gz costs 0 real_cost = -16.7968 T0303.try12-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -9.86186 T0303.try12-opt2.pdb.gz costs 0 real_cost = -5.17686 T0303.try12-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = -12.4832 T0303.try12-opt2.gromacs0.pdb.gz costs 0 real_cost = -4.16953 T0303.try12-opt1.pdb.gz costs 0 real_cost = -5.23095 T0303.try12-opt1-scwrl.pdb.gz costs 0 real_cost = -7.36223 T0303.try11-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 87.684 T0303.try11-opt2.pdb.gz costs 0 real_cost = 86.8831 T0303.try11-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = 89.7901 T0303.try11-opt2.gromacs0.pdb.gz costs 0 real_cost = 89.3828 T0303.try11-opt1.pdb.gz costs 0 real_cost = 84.7509 T0303.try11-opt1-scwrl.pdb.gz costs 0 real_cost = 85.2119 T0303.try10-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 28.9758 T0303.try10-opt2.pdb.gz costs 0 real_cost = 33.6842 T0303.try10-opt2.gromacs0.pdb.gz costs 0 real_cost = 31.6002 T0303.try10-opt1.pdb.gz costs 0 real_cost = 34.79 T0303.try10-opt1-scwrl.pdb.gz costs 0 real_cost = 33.6804 T0303.try1-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 77.9197 T0303.try1-opt2.pdb.gz costs 0 real_cost = 76.31 T0303.try1-opt1.pdb.gz costs 0 real_cost = 76.5957 T0303.try1-opt1-scwrl.pdb.gz costs 0 real_cost = 75.471 ../model5.ts-submitted costs 0 real_cost = 16.1125 ../model4.ts-submitted costs 0 real_cost = 92.569 ../model3.ts-submitted costs 0 real_cost = -23.5334 ../model2.ts-submitted costs 0 real_cost = 33.6575 ../model1.ts-submitted costs 0 real_cost = 1.54902 align5 costs 0 real_cost = 103.24 align4 costs 0 real_cost = 30.6874 align3 costs 0 real_cost = 80.3164 align2 costs 0 real_cost = 62.6539 align1 costs 0 real_cost = 25.9461 T0303.try1-opt2.pdb costs 0 real_cost = 76.31 model5-scwrl costs 0 real_cost = 25.7405 model5.ts-submitted costs 0 real_cost = 16.1125 model4-scwrl costs 0 real_cost = 92.3048 model4.ts-submitted costs 0 real_cost = 92.569 model3-scwrl costs 0 real_cost = -25.1894 model3.ts-submitted costs 0 real_cost = -23.5334 model2-scwrl costs 0 real_cost = 31.8305 model2.ts-submitted costs 0 real_cost = 33.6575 model1-scwrl costs 0 real_cost = 1.60318 model1.ts-submitted costs 0 real_cost = 1.549 T0303_1.real.pdb costs 0 real_cost = -882.4 # command:CPU_time= 1457.56 sec, elapsed time= 1745.31 sec) # command:rm -f sort.tmp /projects/compbio/bin/sorttbl real_cost < decoys/evaluate_1.rdb > sort.tmp mv -f sort.tmp decoys/evaluate_1.rdb mv -f decoys/evaluate_1.pretty decoys/evaluate_1.pretty.old mv: cannot stat `decoys/evaluate_1.pretty': No such file or directory make: [decoys/evaluate_1.pretty] Error 1 (ignored) /projects/compbio/experiments/protein-predict/casp7/scripts/prettyscore -terse -targpfx -decpoint < decoys/evaluate_1.rdb > decoys/evaluate_1.pretty rm -f decoys/evaluate_2.rdb sed -e s/XXX0000/T0303/ -e s/START_COL/1/ \ -e s/REAL_PDB/2hszA/ \ -e s/_domain/_2/ \ -e s/read-pdb/read-pdb+servers/ \ -e 's/ReadConformPDBids/# ReadConformPDBids/' \ -e 's/# ReadConformPDB /ReadConformPDB /' \ -e 's/include COSTFCN.costfcn//' \ -e s/.COSTFCN// \ < /projects/compbio/experiments/protein-predict/casp7/starter-directory/evaluate.under \ | nice -2 /projects/compbio/programs/undertaker/undertaker # command:# Seed set to 1174589947 # command:# Prefix for input files set to /projects/compbio/experiments/undertaker/atoms-inputs/ # command:# reading monomeric-50pc.atoms # trans (non-proline) backbone unit: # CA= -2.2088 1.0126 -0.0031 # O= -0.1499 2.2440 0.0017 # C= -0.6889 1.1368 0.0000 # N+1= 0.0000 0.0000 0.0000 # CA+1= 1.4581 0.0000 0.0000 # cis backbone unit: # CA= -0.1462 2.4515 0.0018 # O= -2.0272 0.9713 0.0022 # C= -0.8006 1.0755 0.0000 # N+1= 0.0000 0.0000 0.0000 # CA+1= 1.4659 0.0000 0.0000 # trans backbone unit before proline: # CA= -2.2099 1.0634 -0.0014 # O= -0.1233 2.2459 0.0075 # C= -0.6871 1.1518 0.0000 # N+1= 0.0000 0.0000 0.0000 # CA+1= 1.4660 0.0000 0.0000 # After reading monomeric-50pc.atoms have 448 chains in training database # Count of chains,residues,atoms: 448,112605,876684 # 109826 residues have no bad marker # 665 residues lack atoms needed to compute omega # 322 residues have cis peptide # number of each bad type: # NON_STANDARD_RESIDUE 6 # HAS_OXT 325 # TOO_MANY_ATOMS 1 # TOO_FEW_ATOMS 523 # HAS_UNKNOWN_ATOMS 2 # HAS_DUPLICATE_ATOMS 0 # CHAIN_BREAK_BEFORE 208 # NON_PLANAR_PEPTIDE 143 # BAD_PEPTIDE 1959 # Note: may sum to more than number of residues, # because one residue may have multiple problems # command:# Reading rotamer library from dunbrack-1332.rot # command:# Prefix for input files set to /projects/compbio/experiments/undertaker/spots/ # command:# ReadAtomType exp-pdb.types Read AtomType exp-pdb with 49 types. # command:# ReadClashTable exp-pdb-2191-2symm.clash # Read ClashTable exp-pdb-2191-2symm checking bonds symmetric at MaxSep 2 # command:# command:CPU_time= 5.8891 sec, elapsed time= 5.99659 sec) # command:# Reading spots from monomeric-50pc-dry-5.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-dry-5.hist # created burial cost function dry5 with radius 5 with spots at monomeric-50pc-dry-5.spot # command:# Reading spots from monomeric-50pc-wet-6.5.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-wet-6.5.hist # created burial cost function wet6.5 with radius 6.5 with spots at monomeric-50pc-wet-6.5.spot # command:# Reading spots from monomeric-50pc-dry-6.5.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-dry-6.5.hist # created burial cost function dry6.5 with radius 6.5 with spots at monomeric-50pc-dry-6.5.spot # command:# Reading spots from monomeric-50pc-generic-6.5.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-generic-6.5.hist # created burial cost function gen6.5 with radius 6.5 with spots at monomeric-50pc-generic-6.5.spot # command:# Reading spots from near-backbone-center.spot # reading histogram from smoothed-near-backbone-2spot.hist # Reading spots from near-backbone-count.spot # created burial cost function near_backbone with radius 9.65 with spots at near-backbone-center.spot counting only near-backbone-count.spot # command:# Reading spots from way-back-center.spot # reading histogram from smoothed-way-back-2spot.hist # Reading spots from way-back-count.spot # created burial cost function way_back with radius 8.9 with spots at way-back-center.spot counting only way-back-count.spot # command:# Reading spots from monomeric-50pc-dry-8.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-dry-8.hist # created burial cost function dry8 with radius 8 with spots at monomeric-50pc-dry-8.spot # command:# Reading spots from monomeric-50pc-dry-10.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-dry-10.hist # created burial cost function dry10 with radius 10 with spots at monomeric-50pc-dry-10.spot # command:# Reading spots from monomeric-50pc-dry-12.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-dry-12.hist # created burial cost function dry12 with radius 12 with spots at monomeric-50pc-dry-12.spot # command:# reading histogram from dunbrack-2191-alpha.hist # created alpha cost function alpha with offset 0 and 360 bins # command:# reading histogram from dunbrack-2191-alpha-1.hist # created alpha cost function alpha_prev with offset -1 and 360 bins # command:# Prefix for input files set to /projects/compbio/lib/alphabet/ # command:# Read 3 alphabets from alpha.alphabet # command:CPU_time= 5.96609 sec, elapsed time= 6.10082 sec) # command:# Prefix for input files set to # command:# Making conformation for sequence T0303 numbered 1 through 224 Created new target T0303 from T0303.a2m # command:# command:# No conformations to remove in PopConform # command:# cleared Id set # command:# command:# ReadConformPDB reading from PDB file T0303_2.real.pdb looking for model 1 Skipped atom 261, because occupancy 5.0000000e-01 <= existing 0.500 in T0303_2.real.pdb Skipped atom 265, because occupancy 0.500 <= existing 0.500 in T0303_2.real.pdb Skipped atom 267, because occupancy 0.500 <= existing 0.500 in T0303_2.real.pdb Skipped atom 269, because occupancy 0.500 <= existing 0.500 in T0303_2.real.pdb Skipped atom 271, because occupancy 0.500 <= existing 0.500 in T0303_2.real.pdb Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 729, because occupancy 0.500 <= existing 0.500 in T0303_2.real.pdb Skipped atom 733, because occupancy 0.500 <= existing 0.500 in T0303_2.real.pdb Skipped atom 735, because occupancy 0.500 <= existing 0.500 in T0303_2.real.pdb # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # command:# Saving current conformation as real # command:# Prefix for output files set to decoys/ # command:# SetRealCost created real_cost = # ( 50 * real_hbond + 50 * real_hbond_u + 50 * decoy_hbond + 50 * decoy_hbond_u + 10 * real_NO_hbond + 10 * real_NO_hbond_u + 10 * decoy_NO_hbond + 10 * decoy_NO_hbond_u + 10 * knot + 200 * clens + 0 * rmsd + 35 * log_rmsd + 0 * rmsd_ca + 30 * log_rmsd_ca + 1 * GDT + 1 * smooth_GDT + 0.2 * missing_atoms ) # command:# SetCost created cost = # ) # command:CPU_time= 8.14676 sec, elapsed time= 8.29215 sec) # command:# Prefix for input files set to # command:# ReadConformPDB reading from PDB file model1.ts-submitted looking for model 1 # choosing archetypes in rotamer library # Found a chain break before 221 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -63.3117 # GDT_score(maxd=8,maxw=2.9)= -63.0331 # GDT_score(maxd=8,maxw=3.2)= -59.4211 # GDT_score(maxd=8,maxw=3.5)= -56.1089 # GDT_score(maxd=10,maxw=3.8)= -59.9689 # GDT_score(maxd=10,maxw=4)= -58.0094 # GDT_score(maxd=10,maxw=4.2)= -56.2365 # GDT_score(maxd=12,maxw=4.3)= -60.2579 # GDT_score(maxd=12,maxw=4.5)= -58.5033 # GDT_score(maxd=12,maxw=4.7)= -56.8546 # GDT_score(maxd=14,maxw=5.2)= -56.58 # GDT_score(maxd=14,maxw=5.5)= -54.2951 # command:# Prefix for output files set to # command:superimposing iter= 0 total_weight= 910.000 rmsd (weighted)= 4.716 (unweighted)= 65.393 superimposing iter= 1 total_weight= 1616.723 rmsd (weighted)= 2.735 (unweighted)= 65.008 superimposing iter= 2 total_weight= 809.314 rmsd (weighted)= 2.331 (unweighted)= 64.905 superimposing iter= 3 total_weight= 646.505 rmsd (weighted)= 2.234 (unweighted)= 64.874 superimposing iter= 4 total_weight= 607.666 rmsd (weighted)= 2.209 (unweighted)= 64.868 superimposing iter= 5 total_weight= 599.927 rmsd (weighted)= 2.199 (unweighted)= 64.873 # command:# Prefix for output files set to decoys/ # command:# request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1680623638.pdb -s /var/tmp/to_scwrl_1680623638.seq -o /var/tmp/from_scwrl_1680623638.pdb > /var/tmp/scwrl_1680623638.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1680623638.pdb # conformation set from SCWRL output # command:# naming current conformation model1-scwrl # command:# ReadConformPDB reading from PDB file model2.ts-submitted looking for model 1 # Found a chain break before 214 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -63.3117 # GDT_score(maxd=8,maxw=2.9)= -63.1587 # GDT_score(maxd=8,maxw=3.2)= -59.3336 # GDT_score(maxd=8,maxw=3.5)= -56.1402 # GDT_score(maxd=10,maxw=3.8)= -59.9559 # GDT_score(maxd=10,maxw=4)= -58.0549 # GDT_score(maxd=10,maxw=4.2)= -56.2799 # GDT_score(maxd=12,maxw=4.3)= -60.3003 # GDT_score(maxd=12,maxw=4.5)= -58.5438 # GDT_score(maxd=12,maxw=4.7)= -56.8502 # GDT_score(maxd=14,maxw=5.2)= -56.5365 # GDT_score(maxd=14,maxw=5.5)= -54.3027 # command:# request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_71843092.pdb -s /var/tmp/to_scwrl_71843092.seq -o /var/tmp/from_scwrl_71843092.pdb > /var/tmp/scwrl_71843092.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_71843092.pdb # conformation set from SCWRL output # command:# naming current conformation model2-scwrl # command:# ReadConformPDB reading from PDB file model3.ts-submitted looking for model 1 # Found a chain break before 218 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -72.7273 # GDT_score(maxd=8,maxw=2.9)= -76.0722 # GDT_score(maxd=8,maxw=3.2)= -72.1353 # GDT_score(maxd=8,maxw=3.5)= -68.3121 # GDT_score(maxd=10,maxw=3.8)= -71.2532 # GDT_score(maxd=10,maxw=4)= -68.8362 # GDT_score(maxd=10,maxw=4.2)= -66.5282 # GDT_score(maxd=12,maxw=4.3)= -70.3359 # GDT_score(maxd=12,maxw=4.5)= -68.0982 # GDT_score(maxd=12,maxw=4.7)= -65.9538 # GDT_score(maxd=14,maxw=5.2)= -64.6898 # GDT_score(maxd=14,maxw=5.5)= -61.8879 # command:# request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_407477696.pdb -s /var/tmp/to_scwrl_407477696.seq -o /var/tmp/from_scwrl_407477696.pdb > /var/tmp/scwrl_407477696.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_407477696.pdb # conformation set from SCWRL output # command:# naming current conformation model3-scwrl # command:# ReadConformPDB reading from PDB file model4.ts-submitted looking for model 1 # Found a chain break before 214 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -32.4675 # GDT_score(maxd=8,maxw=2.9)= -30.0334 # GDT_score(maxd=8,maxw=3.2)= -28.557 # GDT_score(maxd=8,maxw=3.5)= -27.2226 # GDT_score(maxd=10,maxw=3.8)= -30.8265 # GDT_score(maxd=10,maxw=4)= -29.9345 # GDT_score(maxd=10,maxw=4.2)= -29.1275 # GDT_score(maxd=12,maxw=4.3)= -32.6323 # GDT_score(maxd=12,maxw=4.5)= -31.7591 # GDT_score(maxd=12,maxw=4.7)= -30.9603 # GDT_score(maxd=14,maxw=5.2)= -32.2774 # GDT_score(maxd=14,maxw=5.5)= -31.1944 # command:# request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_70160458.pdb -s /var/tmp/to_scwrl_70160458.seq -o /var/tmp/from_scwrl_70160458.pdb > /var/tmp/scwrl_70160458.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_70160458.pdb # conformation set from SCWRL output # command:# naming current conformation model4-scwrl # command:# ReadConformPDB reading from PDB file model5.ts-submitted looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # command:# fraction of real conformation used = 0.857143 # GDT_score = -67.5325 # GDT_score(maxd=8,maxw=2.9)= -70.0591 # GDT_score(maxd=8,maxw=3.2)= -67.1922 # GDT_score(maxd=8,maxw=3.5)= -64.3137 # GDT_score(maxd=10,maxw=3.8)= -66.3214 # GDT_score(maxd=10,maxw=4)= -64.3667 # GDT_score(maxd=10,maxw=4.2)= -62.4057 # GDT_score(maxd=12,maxw=4.3)= -65.3309 # GDT_score(maxd=12,maxw=4.5)= -63.4345 # GDT_score(maxd=12,maxw=4.7)= -61.585 # GDT_score(maxd=14,maxw=5.2)= -60.2994 # GDT_score(maxd=14,maxw=5.5)= -57.7328 # command:# request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_314323639.pdb -s /var/tmp/to_scwrl_314323639.seq -o /var/tmp/from_scwrl_314323639.pdb > /var/tmp/scwrl_314323639.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_314323639.pdb # conformation set from SCWRL output # command:# naming current conformation model5-scwrl # command:# Prefix for input files set to decoys/ # command:# ReadConformPDB reading from PDB file T0303.try1-opt2.pdb looking for model 1 # Found a chain break before 214 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -32.7922 # GDT_score(maxd=8,maxw=2.9)= -30.2898 # GDT_score(maxd=8,maxw=3.2)= -28.7444 # GDT_score(maxd=8,maxw=3.5)= -27.3938 # GDT_score(maxd=10,maxw=3.8)= -30.9135 # GDT_score(maxd=10,maxw=4)= -30.0172 # GDT_score(maxd=10,maxw=4.2)= -29.2062 # GDT_score(maxd=12,maxw=4.3)= -32.6875 # GDT_score(maxd=12,maxw=4.5)= -31.8119 # GDT_score(maxd=12,maxw=4.7)= -31.0108 # GDT_score(maxd=14,maxw=5.2)= -32.3115 # GDT_score(maxd=14,maxw=5.5)= -31.1307 # command:# Prefix for output files set to # command:superimposing iter= 0 total_weight= 910.000 rmsd (weighted)= 10.504 (unweighted)= 75.497 superimposing iter= 1 total_weight= 1305.473 rmsd (weighted)= 6.915 (unweighted)= 75.639 superimposing iter= 2 total_weight= 746.015 rmsd (weighted)= 6.123 (unweighted)= 76.027 superimposing iter= 3 total_weight= 670.527 rmsd (weighted)= 5.750 (unweighted)= 76.380 superimposing iter= 4 total_weight= 633.884 rmsd (weighted)= 5.566 (unweighted)= 76.679 superimposing iter= 5 total_weight= 614.332 rmsd (weighted)= 5.475 (unweighted)= 76.927 # command:# Prefix for output files set to decoys/ # command:# Prefix for input files set to # command:# ReadConformPDB reading from PDB file T0303.undertaker-align.pdb looking for model 1 WARNING: atoms too close: (T0303)Q56.C and (T0303)E67.C only 0.000 apart, marking (T0303)E67.C as missing WARNING: atoms too close: (T0303)R57.N and (T0303)K68.N only 0.000 apart, marking (T0303)R57.N as missing WARNING: atoms too close: (T0303)R57.CA and (T0303)K68.CA only 0.000 apart, marking (T0303)R57.CA as missing WARNING: atoms too close: (T0303)Q110.C and (T0303)G111.C only 0.000 apart, marking (T0303)G111.C as missing WARNING: atoms too close: (T0303)G111.N and (T0303)Y112.N only 0.000 apart, marking (T0303)G111.N as missing WARNING: atoms too close: (T0303)G111.CA and (T0303)Y112.CA only 0.000 apart, marking (T0303)G111.CA as missing WARNING: atoms too close: (T0303)K151.C and (T0303)H153.C only 0.000 apart, marking (T0303)H153.C as missing WARNING: atoms too close: (T0303)P152.N and (T0303)P154.N only 0.000 apart, marking (T0303)P152.N as missing WARNING: atoms too close: (T0303)P152.CA and (T0303)P154.CA only 0.000 apart, marking (T0303)P152.CA as missing # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # command:# naming current conformation align1 # command:# fraction of real conformation used = 0.857143 # GDT_score = -67.5325 # GDT_score(maxd=8,maxw=2.9)= -70.1548 # GDT_score(maxd=8,maxw=3.2)= -67.2791 # GDT_score(maxd=8,maxw=3.5)= -64.428 # GDT_score(maxd=10,maxw=3.8)= -66.4233 # GDT_score(maxd=10,maxw=4)= -64.532 # GDT_score(maxd=10,maxw=4.2)= -62.575 # GDT_score(maxd=12,maxw=4.3)= -65.4896 # GDT_score(maxd=12,maxw=4.5)= -63.5927 # GDT_score(maxd=12,maxw=4.7)= -61.7361 # GDT_score(maxd=14,maxw=5.2)= -60.4227 # GDT_score(maxd=14,maxw=5.5)= -57.8593 # command:# ReadConformPDB reading from PDB file T0303.undertaker-align.pdb looking for model 2 WARNING: atoms too close: (T0303)D60.C and (T0303)A66.C only 0.000 apart, marking (T0303)A66.C as missing WARNING: atoms too close: (T0303)W61.N and (T0303)E67.N only 0.000 apart, marking (T0303)W61.N as missing WARNING: atoms too close: (T0303)W61.CA and (T0303)E67.CA only 0.000 apart, marking (T0303)W61.CA as missing WARNING: atoms too close: (T0303)S207.C and (T0303)K208.C only 0.000 apart, marking (T0303)K208.C as missing WARNING: atoms too close: (T0303)K208.N and (T0303)P209.N only 0.000 apart, marking (T0303)K208.N as missing WARNING: atoms too close: (T0303)K208.CA and (T0303)P209.CA only 0.000 apart, marking (T0303)K208.CA as missing # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # command:# naming current conformation align2 # command:# fraction of real conformation used = 0.87013 # GDT_score = -60.3896 # GDT_score(maxd=8,maxw=2.9)= -61.4109 # GDT_score(maxd=8,maxw=3.2)= -58.2986 # GDT_score(maxd=8,maxw=3.5)= -55.3758 # GDT_score(maxd=10,maxw=3.8)= -58.2407 # GDT_score(maxd=10,maxw=4)= -56.4975 # GDT_score(maxd=10,maxw=4.2)= -54.8742 # GDT_score(maxd=12,maxw=4.3)= -58.0794 # GDT_score(maxd=12,maxw=4.5)= -56.4833 # GDT_score(maxd=12,maxw=4.7)= -54.9951 # GDT_score(maxd=14,maxw=5.2)= -54.5159 # GDT_score(maxd=14,maxw=5.5)= -52.5841 # command:# ReadConformPDB reading from PDB file T0303.undertaker-align.pdb looking for model 3 WARNING: atoms too close: (T0303)D60.C and (T0303)T64.C only 0.000 apart, marking (T0303)T64.C as missing WARNING: atoms too close: (T0303)W61.N and (T0303)Q65.N only 0.000 apart, marking (T0303)W61.N as missing WARNING: atoms too close: (T0303)W61.CA and (T0303)Q65.CA only 0.000 apart, marking (T0303)W61.CA as missing WARNING: atoms too close: (T0303)L107.C and (T0303)Q110.C only 0.000 apart, marking (T0303)Q110.C as missing WARNING: atoms too close: (T0303)K108.N and (T0303)G111.N only 0.000 apart, marking (T0303)K108.N as missing WARNING: atoms too close: (T0303)K108.CA and (T0303)G111.CA only 0.000 apart, marking (T0303)K108.CA as missing WARNING: atoms too close: (T0303)T195.C and (T0303)Y196.C only 0.000 apart, marking (T0303)Y196.C as missing WARNING: atoms too close: (T0303)Y196.N and (T0303)G197.N only 0.000 apart, marking (T0303)Y196.N as missing WARNING: atoms too close: (T0303)Y196.CA and (T0303)G197.CA only 0.000 apart, marking (T0303)Y196.CA as missing # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # command:# naming current conformation align3 # command:# ReadConformPDB reading from PDB file T0303.undertaker-align.pdb looking for model 4 WARNING: atoms too close: (T0303)Y86.C and (T0303)L90.C only 0.000 apart, marking (T0303)L90.C as missing WARNING: atoms too close: (T0303)G87.N and (T0303)C91.N only 0.000 apart, marking (T0303)G87.N as missing WARNING: atoms too close: (T0303)G87.CA and (T0303)C91.CA only 0.000 apart, marking (T0303)G87.CA as missing WARNING: atoms too close: (T0303)Q110.C and (T0303)G111.C only 0.000 apart, marking (T0303)G111.C as missing WARNING: atoms too close: (T0303)G111.N and (T0303)Y112.N only 0.000 apart, marking (T0303)G111.N as missing WARNING: atoms too close: (T0303)G111.CA and (T0303)Y112.CA only 0.000 apart, marking (T0303)G111.CA as missing WARNING: atoms too close: (T0303)P203.C and (T0303)I204.C only 0.000 apart, marking (T0303)I204.C as missing WARNING: atoms too close: (T0303)I204.N and (T0303)A205.N only 0.000 apart, marking (T0303)I204.N as missing WARNING: atoms too close: (T0303)I204.CA and (T0303)A205.CA only 0.000 apart, marking (T0303)I204.CA as missing # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # command:# naming current conformation align4 # command:# ReadConformPDB reading from PDB file T0303.undertaker-align.pdb looking for model 5 WARNING: atoms too close: (T0303)L30.C and (T0303)S39.C only 0.000 apart, marking (T0303)S39.C as missing WARNING: atoms too close: (T0303)K31.N and (T0303)E40.N only 0.000 apart, marking (T0303)K31.N as missing WARNING: atoms too close: (T0303)K31.CA and (T0303)E40.CA only 0.000 apart, marking (T0303)K31.CA as missing WARNING: atoms too close: (T0303)F82.C and (T0303)C91.C only 0.000 apart, marking (T0303)C91.C as missing WARNING: atoms too close: (T0303)G83.N and (T0303)N92.N only 0.000 apart, marking (T0303)G83.N as missing WARNING: atoms too close: (T0303)G83.CA and (T0303)N92.CA only 0.000 apart, marking (T0303)G83.CA as missing WARNING: atoms too close: (T0303)P203.C and (T0303)I204.C only 0.000 apart, marking (T0303)I204.C as missing WARNING: atoms too close: (T0303)I204.N and (T0303)A205.N only 0.000 apart, marking (T0303)I204.N as missing WARNING: atoms too close: (T0303)I204.CA and (T0303)A205.CA only 0.000 apart, marking (T0303)I204.CA as missing # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # command:# naming current conformation align5 # command:# Prefix for input files set to decoys/ # command:# reading script from file read-pdb+servers.under # ReadConformPDB reading from PDB file ../model1.ts-submitted looking for model 1 # Found a chain break before 221 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model2.ts-submitted looking for model 1 # Found a chain break before 214 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model3.ts-submitted looking for model 1 # Found a chain break before 218 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model4.ts-submitted looking for model 1 # Found a chain break before 214 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model5.ts-submitted looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # ReadConformPDB reading from PDB file T0303.try1-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 214 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try1-opt1.pdb.gz looking for model 1 # Found a chain break before 214 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try1-opt2.gromacs0.pdb.gz looking for model 1 Error: Reading chain from PDB file T0303.try1-opt2.gromacs0.pdb.gz failed. # ReadConformPDB reading from PDB file T0303.try1-opt2.pdb.gz looking for model 1 # Found a chain break before 214 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try1-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 214 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try10-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 214 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try10-opt1.pdb.gz looking for model 1 # Found a chain break before 214 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try10-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 210 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try10-opt2.pdb.gz looking for model 1 # Found a chain break before 214 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try10-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 214 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try11-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 208 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try11-opt1.pdb.gz looking for model 1 # Found a chain break before 208 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try11-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 209 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try11-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 209 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try11-opt2.pdb.gz looking for model 1 # Found a chain break before 221 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try11-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 221 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try12-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 218 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try12-opt1.pdb.gz looking for model 1 # Found a chain break before 218 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try12-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 154 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try12-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 154 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try12-opt2.pdb.gz looking for model 1 # Found a chain break before 218 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try12-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 218 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try13-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 218 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try13-opt1.pdb.gz looking for model 1 # Found a chain break before 218 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try13-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 176 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try13-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 176 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try13-opt2.pdb.gz looking for model 1 # Found a chain break before 221 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try13-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 221 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try14-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 218 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try14-opt1.pdb.gz looking for model 1 # Found a chain break before 218 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try14-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 219 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try14-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 219 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try14-opt2.pdb.gz looking for model 1 # Found a chain break before 221 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try14-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 221 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try15-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 210 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try15-opt1.pdb.gz looking for model 1 # Found a chain break before 210 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try15-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 215 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try15-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 215 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try15-opt2.pdb.gz looking for model 1 # Found a chain break before 210 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try15-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 210 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try16-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 221 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try16-opt1.pdb.gz looking for model 1 # Found a chain break before 221 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try16-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 196 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try16-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 196 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try16-opt2.pdb.gz looking for model 1 # Found a chain break before 221 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try16-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 221 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try17-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 210 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try17-opt1.pdb.gz looking for model 1 # Found a chain break before 210 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try17-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 215 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try17-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 215 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try17-opt2.pdb.gz looking for model 1 # Found a chain break before 210 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try17-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 210 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try2-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 214 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try2-opt1.pdb.gz looking for model 1 # Found a chain break before 214 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try2-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 209 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try2-opt2.pdb.gz looking for model 1 # Found a chain break before 214 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try2-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 214 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try3-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 218 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try3-opt1.pdb.gz looking for model 1 # Found a chain break before 218 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try3-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 176 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try3-opt2.pdb.gz looking for model 1 # Found a chain break before 218 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try3-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 218 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try4-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 214 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try4-opt1.pdb.gz looking for model 1 # Found a chain break before 214 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try4-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 210 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try4-opt2.pdb.gz looking for model 1 # Found a chain break before 214 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try4-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 214 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try5-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 217 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try5-opt1.pdb.gz looking for model 1 # Found a chain break before 217 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try5-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 160 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try5-opt2.pdb.gz looking for model 1 # Found a chain break before 210 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try5-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 210 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try6-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 207 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try6-opt1.pdb.gz looking for model 1 # Found a chain break before 207 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try6-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 208 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try6-opt2.pdb.gz looking for model 1 # Found a chain break before 207 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try6-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 207 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try7-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 222 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try7-opt1.pdb.gz looking for model 1 # Found a chain break before 222 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try7-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 126 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try7-opt2.pdb.gz looking for model 1 # Found a chain break before 222 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try7-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 222 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try8-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 214 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try8-opt1.pdb.gz looking for model 1 # Found a chain break before 214 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try8-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 210 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try8-opt2.pdb.gz looking for model 1 # Found a chain break before 214 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try8-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 214 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try9-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 218 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try9-opt1.pdb.gz looking for model 1 # Found a chain break before 218 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try9-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 197 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try9-opt2.pdb.gz looking for model 1 # Found a chain break before 221 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0303.try9-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 221 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file chimera1.pdb.gz looking for model 1 # Found a chain break before 218 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file chimera2.pdb.gz looking for model 1 # Found a chain break before 214 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1057141097.pdb -s /var/tmp/to_scwrl_1057141097.seq -o /var/tmp/from_scwrl_1057141097.pdb > /var/tmp/scwrl_1057141097.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1057141097.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_POPULUS_TS1-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1874353682.pdb -s /var/tmp/to_scwrl_1874353682.seq -o /var/tmp/from_scwrl_1874353682.pdb > /var/tmp/scwrl_1874353682.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1874353682.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_POPULUS_TS2-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1713552470.pdb -s /var/tmp/to_scwrl_1713552470.seq -o /var/tmp/from_scwrl_1713552470.pdb > /var/tmp/scwrl_1713552470.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1713552470.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_POPULUS_TS3-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_825504937.pdb -s /var/tmp/to_scwrl_825504937.seq -o /var/tmp/from_scwrl_825504937.pdb > /var/tmp/scwrl_825504937.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_825504937.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_POPULUS_TS4-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1223817629.pdb -s /var/tmp/to_scwrl_1223817629.seq -o /var/tmp/from_scwrl_1223817629.pdb > /var/tmp/scwrl_1223817629.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1223817629.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_POPULUS_TS5-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_749280403.pdb -s /var/tmp/to_scwrl_749280403.seq -o /var/tmp/from_scwrl_749280403.pdb > /var/tmp/scwrl_749280403.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_749280403.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_RECOM_TS1-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1233521721.pdb -s /var/tmp/to_scwrl_1233521721.seq -o /var/tmp/from_scwrl_1233521721.pdb > /var/tmp/scwrl_1233521721.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1233521721.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_RECOM_TS2-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1199000328.pdb -s /var/tmp/to_scwrl_1199000328.seq -o /var/tmp/from_scwrl_1199000328.pdb > /var/tmp/scwrl_1199000328.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1199000328.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_RECOM_TS3-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1038005997.pdb -s /var/tmp/to_scwrl_1038005997.seq -o /var/tmp/from_scwrl_1038005997.pdb > /var/tmp/scwrl_1038005997.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1038005997.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_RECOM_TS4-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_2006890767.pdb -s /var/tmp/to_scwrl_2006890767.seq -o /var/tmp/from_scwrl_2006890767.pdb > /var/tmp/scwrl_2006890767.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2006890767.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_RECOM_TS5-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_854777776.pdb -s /var/tmp/to_scwrl_854777776.seq -o /var/tmp/from_scwrl_854777776.pdb > /var/tmp/scwrl_854777776.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_854777776.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_TS1-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_716578321.pdb -s /var/tmp/to_scwrl_716578321.seq -o /var/tmp/from_scwrl_716578321.pdb > /var/tmp/scwrl_716578321.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_716578321.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_TS2-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1288142291.pdb -s /var/tmp/to_scwrl_1288142291.seq -o /var/tmp/from_scwrl_1288142291.pdb > /var/tmp/scwrl_1288142291.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1288142291.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_TS3-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1063701502.pdb -s /var/tmp/to_scwrl_1063701502.seq -o /var/tmp/from_scwrl_1063701502.pdb > /var/tmp/scwrl_1063701502.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1063701502.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_TS4-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_462581303.pdb -s /var/tmp/to_scwrl_462581303.seq -o /var/tmp/from_scwrl_462581303.pdb > /var/tmp/scwrl_462581303.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_462581303.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_TS5-scwrl # ReadConformPDB reading from PDB file servers/3Dpro_TS1.pdb.gz looking for model 1 # Found a chain break before 208 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_51456896.pdb -s /var/tmp/to_scwrl_51456896.seq -o /var/tmp/from_scwrl_51456896.pdb > /var/tmp/scwrl_51456896.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_51456896.pdb # conformation set from SCWRL output # naming current conformation 3Dpro_TS1-scwrl # ReadConformPDB reading from PDB file servers/3Dpro_TS2.pdb.gz looking for model 1 # Found a chain break before 220 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_598440019.pdb -s /var/tmp/to_scwrl_598440019.seq -o /var/tmp/from_scwrl_598440019.pdb > /var/tmp/scwrl_598440019.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_598440019.pdb # conformation set from SCWRL output # naming current conformation 3Dpro_TS2-scwrl # ReadConformPDB reading from PDB file servers/3Dpro_TS3.pdb.gz looking for model 1 # Found a chain break before 217 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1741358692.pdb -s /var/tmp/to_scwrl_1741358692.seq -o /var/tmp/from_scwrl_1741358692.pdb > /var/tmp/scwrl_1741358692.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1741358692.pdb # conformation set from SCWRL output # naming current conformation 3Dpro_TS3-scwrl # ReadConformPDB reading from PDB file servers/3Dpro_TS4.pdb.gz looking for model 1 # Found a chain break before 213 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_786772210.pdb -s /var/tmp/to_scwrl_786772210.seq -o /var/tmp/from_scwrl_786772210.pdb > /var/tmp/scwrl_786772210.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_786772210.pdb # conformation set from SCWRL output # naming current conformation 3Dpro_TS4-scwrl # ReadConformPDB reading from PDB file servers/3Dpro_TS5.pdb.gz looking for model 1 # Found a chain break before 196 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_799276631.pdb -s /var/tmp/to_scwrl_799276631.seq -o /var/tmp/from_scwrl_799276631.pdb > /var/tmp/scwrl_799276631.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_799276631.pdb # conformation set from SCWRL output # naming current conformation 3Dpro_TS5-scwrl # ReadConformPDB reading from PDB file servers/ABIpro_TS1.pdb.gz looking for model 1 # Found a chain break before 208 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_2007667003.pdb -s /var/tmp/to_scwrl_2007667003.seq -o /var/tmp/from_scwrl_2007667003.pdb > /var/tmp/scwrl_2007667003.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2007667003.pdb # conformation set from SCWRL output # naming current conformation ABIpro_TS1-scwrl # ReadConformPDB reading from PDB file servers/ABIpro_TS2.pdb.gz looking for model 1 # Found a chain break before 214 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1206429321.pdb -s /var/tmp/to_scwrl_1206429321.seq -o /var/tmp/from_scwrl_1206429321.pdb > /var/tmp/scwrl_1206429321.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1206429321.pdb # conformation set from SCWRL output # naming current conformation ABIpro_TS2-scwrl # ReadConformPDB reading from PDB file servers/ABIpro_TS3.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_601829156.pdb -s /var/tmp/to_scwrl_601829156.seq -o /var/tmp/from_scwrl_601829156.pdb > /var/tmp/scwrl_601829156.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_601829156.pdb # conformation set from SCWRL output # naming current conformation ABIpro_TS3-scwrl # ReadConformPDB reading from PDB file servers/ABIpro_TS4.pdb.gz looking for model 1 # Found a chain break before 212 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_514378126.pdb -s /var/tmp/to_scwrl_514378126.seq -o /var/tmp/from_scwrl_514378126.pdb > /var/tmp/scwrl_514378126.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_514378126.pdb # conformation set from SCWRL output # naming current conformation ABIpro_TS4-scwrl # ReadConformPDB reading from PDB file servers/ABIpro_TS5.pdb.gz looking for model 1 # Found a chain break before 218 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_367656832.pdb -s /var/tmp/to_scwrl_367656832.seq -o /var/tmp/from_scwrl_367656832.pdb > /var/tmp/scwrl_367656832.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_367656832.pdb # conformation set from SCWRL output # naming current conformation ABIpro_TS5-scwrl # ReadConformPDB reading from PDB file servers/BayesHH_TS1.pdb.gz looking for model 1 # Found a chain break before 217 # copying to AlignedFragments data structure # naming current conformation BayesHH_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_605198274.pdb -s /var/tmp/to_scwrl_605198274.seq -o /var/tmp/from_scwrl_605198274.pdb > /var/tmp/scwrl_605198274.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_605198274.pdb # conformation set from SCWRL output # naming current conformation BayesHH_TS1-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS1.pdb.gz looking for model 1 # Found a chain break before 200 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_47518117.pdb -s /var/tmp/to_scwrl_47518117.seq -o /var/tmp/from_scwrl_47518117.pdb > /var/tmp/scwrl_47518117.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_47518117.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS1-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS2.pdb.gz looking for model 1 # Found a chain break before 199 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_439499924.pdb -s /var/tmp/to_scwrl_439499924.seq -o /var/tmp/from_scwrl_439499924.pdb > /var/tmp/scwrl_439499924.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_439499924.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS2-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS3.pdb.gz looking for model 1 # Found a chain break before 188 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1012675970.pdb -s /var/tmp/to_scwrl_1012675970.seq -o /var/tmp/from_scwrl_1012675970.pdb > /var/tmp/scwrl_1012675970.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1012675970.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS3-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS4.pdb.gz looking for model 1 # Found a chain break before 199 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_117678575.pdb -s /var/tmp/to_scwrl_117678575.seq -o /var/tmp/from_scwrl_117678575.pdb > /var/tmp/scwrl_117678575.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_117678575.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS4-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS5.pdb.gz looking for model 1 # Found a chain break before 176 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_753823564.pdb -s /var/tmp/to_scwrl_753823564.seq -o /var/tmp/from_scwrl_753823564.pdb > /var/tmp/scwrl_753823564.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_753823564.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS5-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS1.pdb.gz looking for model 1 # Found a chain break before 161 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_2069817067.pdb -s /var/tmp/to_scwrl_2069817067.seq -o /var/tmp/from_scwrl_2069817067.pdb > /var/tmp/scwrl_2069817067.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2069817067.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS1-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS2.pdb.gz looking for model 1 # Found a chain break before 223 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1992032258.pdb -s /var/tmp/to_scwrl_1992032258.seq -o /var/tmp/from_scwrl_1992032258.pdb > /var/tmp/scwrl_1992032258.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1992032258.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS2-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS3.pdb.gz looking for model 1 # Found a chain break before 217 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_319892387.pdb -s /var/tmp/to_scwrl_319892387.seq -o /var/tmp/from_scwrl_319892387.pdb > /var/tmp/scwrl_319892387.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_319892387.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS3-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS4.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_747838357.pdb -s /var/tmp/to_scwrl_747838357.seq -o /var/tmp/from_scwrl_747838357.pdb > /var/tmp/scwrl_747838357.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_747838357.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS4-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS5.pdb.gz looking for model 1 # Found a chain break before 200 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1068366241.pdb -s /var/tmp/to_scwrl_1068366241.seq -o /var/tmp/from_scwrl_1068366241.pdb > /var/tmp/scwrl_1068366241.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1068366241.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS5-scwrl # ReadConformPDB reading from PDB file servers/CPHmodels_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation CPHmodels_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1069172790.pdb -s /var/tmp/to_scwrl_1069172790.seq -o /var/tmp/from_scwrl_1069172790.pdb > /var/tmp/scwrl_1069172790.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1069172790.pdb # conformation set from SCWRL output # naming current conformation CPHmodels_TS1-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1981360079.pdb -s /var/tmp/to_scwrl_1981360079.seq -o /var/tmp/from_scwrl_1981360079.pdb > /var/tmp/scwrl_1981360079.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1981360079.pdb # conformation set from SCWRL output # naming current conformation CaspIta-FOX_TS1-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation CaspIta-FOX_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_119882922.pdb -s /var/tmp/to_scwrl_119882922.seq -o /var/tmp/from_scwrl_119882922.pdb > /var/tmp/scwrl_119882922.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_119882922.pdb # conformation set from SCWRL output # naming current conformation CaspIta-FOX_TS2-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_2107178786.pdb -s /var/tmp/to_scwrl_2107178786.seq -o /var/tmp/from_scwrl_2107178786.pdb > /var/tmp/scwrl_2107178786.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2107178786.pdb # conformation set from SCWRL output # naming current conformation CaspIta-FOX_TS3-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation CaspIta-FOX_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1840767199.pdb -s /var/tmp/to_scwrl_1840767199.seq -o /var/tmp/from_scwrl_1840767199.pdb > /var/tmp/scwrl_1840767199.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1840767199.pdb # conformation set from SCWRL output # naming current conformation CaspIta-FOX_TS4-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_974660698.pdb -s /var/tmp/to_scwrl_974660698.seq -o /var/tmp/from_scwrl_974660698.pdb > /var/tmp/scwrl_974660698.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_974660698.pdb # conformation set from SCWRL output # naming current conformation CaspIta-FOX_TS5-scwrl # ReadConformPDB reading from PDB file servers/Distill_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation Distill_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_676273460.pdb -s /var/tmp/to_scwrl_676273460.seq -o /var/tmp/from_scwrl_676273460.pdb > /var/tmp/scwrl_676273460.log Error: Couldn't open file /var/tmp/from_scwrl_676273460.pdb or /var/tmp/from_scwrl_676273460.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_676273460_b.pdb or decoys//var/tmp/from_scwrl_676273460_b.pdb.gz for input Trying /var/tmp/from_scwrl_676273460_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_676273460_b.pdb or /var/tmp/from_scwrl_676273460_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_676273460_a.pdb or decoys//var/tmp/from_scwrl_676273460_a.pdb.gz for input Trying /var/tmp/from_scwrl_676273460_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_676273460_a.pdb or /var/tmp/from_scwrl_676273460_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_676273460.pdb or /var/tmp/from_scwrl_676273460_b.pdb or /var/tmp/from_scwrl_676273460_a.pdb Error: no new SCWRL conformation added # naming current conformation Distill_TS1-scwrl # ReadConformPDB reading from PDB file servers/Distill_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation Distill_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_981425844.pdb -s /var/tmp/to_scwrl_981425844.seq -o /var/tmp/from_scwrl_981425844.pdb > /var/tmp/scwrl_981425844.log Error: Couldn't open file /var/tmp/from_scwrl_981425844.pdb or /var/tmp/from_scwrl_981425844.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_981425844_b.pdb or decoys//var/tmp/from_scwrl_981425844_b.pdb.gz for input Trying /var/tmp/from_scwrl_981425844_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_981425844_b.pdb or /var/tmp/from_scwrl_981425844_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_981425844_a.pdb or decoys//var/tmp/from_scwrl_981425844_a.pdb.gz for input Trying /var/tmp/from_scwrl_981425844_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_981425844_a.pdb or /var/tmp/from_scwrl_981425844_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_981425844.pdb or /var/tmp/from_scwrl_981425844_b.pdb or /var/tmp/from_scwrl_981425844_a.pdb Error: no new SCWRL conformation added # naming current conformation Distill_TS2-scwrl # ReadConformPDB reading from PDB file servers/Distill_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation Distill_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_2038362199.pdb -s /var/tmp/to_scwrl_2038362199.seq -o /var/tmp/from_scwrl_2038362199.pdb > /var/tmp/scwrl_2038362199.log Error: Couldn't open file /var/tmp/from_scwrl_2038362199.pdb or /var/tmp/from_scwrl_2038362199.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2038362199_b.pdb or decoys//var/tmp/from_scwrl_2038362199_b.pdb.gz for input Trying /var/tmp/from_scwrl_2038362199_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2038362199_b.pdb or /var/tmp/from_scwrl_2038362199_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2038362199_a.pdb or decoys//var/tmp/from_scwrl_2038362199_a.pdb.gz for input Trying /var/tmp/from_scwrl_2038362199_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2038362199_a.pdb or /var/tmp/from_scwrl_2038362199_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2038362199.pdb or /var/tmp/from_scwrl_2038362199_b.pdb or /var/tmp/from_scwrl_2038362199_a.pdb Error: no new SCWRL conformation added # naming current conformation Distill_TS3-scwrl # ReadConformPDB reading from PDB file servers/Distill_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation Distill_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1138854762.pdb -s /var/tmp/to_scwrl_1138854762.seq -o /var/tmp/from_scwrl_1138854762.pdb > /var/tmp/scwrl_1138854762.log Error: Couldn't open file /var/tmp/from_scwrl_1138854762.pdb or /var/tmp/from_scwrl_1138854762.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1138854762_b.pdb or decoys//var/tmp/from_scwrl_1138854762_b.pdb.gz for input Trying /var/tmp/from_scwrl_1138854762_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1138854762_b.pdb or /var/tmp/from_scwrl_1138854762_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1138854762_a.pdb or decoys//var/tmp/from_scwrl_1138854762_a.pdb.gz for input Trying /var/tmp/from_scwrl_1138854762_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1138854762_a.pdb or /var/tmp/from_scwrl_1138854762_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1138854762.pdb or /var/tmp/from_scwrl_1138854762_b.pdb or /var/tmp/from_scwrl_1138854762_a.pdb Error: no new SCWRL conformation added # naming current conformation Distill_TS4-scwrl # ReadConformPDB reading from PDB file servers/Distill_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation Distill_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1032882740.pdb -s /var/tmp/to_scwrl_1032882740.seq -o /var/tmp/from_scwrl_1032882740.pdb > /var/tmp/scwrl_1032882740.log Error: Couldn't open file /var/tmp/from_scwrl_1032882740.pdb or /var/tmp/from_scwrl_1032882740.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1032882740_b.pdb or decoys//var/tmp/from_scwrl_1032882740_b.pdb.gz for input Trying /var/tmp/from_scwrl_1032882740_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1032882740_b.pdb or /var/tmp/from_scwrl_1032882740_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1032882740_a.pdb or decoys//var/tmp/from_scwrl_1032882740_a.pdb.gz for input Trying /var/tmp/from_scwrl_1032882740_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1032882740_a.pdb or /var/tmp/from_scwrl_1032882740_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1032882740.pdb or /var/tmp/from_scwrl_1032882740_b.pdb or /var/tmp/from_scwrl_1032882740_a.pdb Error: no new SCWRL conformation added # naming current conformation Distill_TS5-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS1.pdb.gz looking for model 1 # Found a chain break before 161 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_489318571.pdb -s /var/tmp/to_scwrl_489318571.seq -o /var/tmp/from_scwrl_489318571.pdb > /var/tmp/scwrl_489318571.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_489318571.pdb # conformation set from SCWRL output # naming current conformation FAMSD_TS1-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation FAMSD_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_732729809.pdb -s /var/tmp/to_scwrl_732729809.seq -o /var/tmp/from_scwrl_732729809.pdb > /var/tmp/scwrl_732729809.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_732729809.pdb # conformation set from SCWRL output # naming current conformation FAMSD_TS2-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS3.pdb.gz looking for model 1 # Found a chain break before 200 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1819654949.pdb -s /var/tmp/to_scwrl_1819654949.seq -o /var/tmp/from_scwrl_1819654949.pdb > /var/tmp/scwrl_1819654949.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1819654949.pdb # conformation set from SCWRL output # naming current conformation FAMSD_TS3-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS4.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1288595202.pdb -s /var/tmp/to_scwrl_1288595202.seq -o /var/tmp/from_scwrl_1288595202.pdb > /var/tmp/scwrl_1288595202.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1288595202.pdb # conformation set from SCWRL output # naming current conformation FAMSD_TS4-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS5.pdb.gz looking for model 1 # Found a chain break before 215 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_592913165.pdb -s /var/tmp/to_scwrl_592913165.seq -o /var/tmp/from_scwrl_592913165.pdb > /var/tmp/scwrl_592913165.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_592913165.pdb # conformation set from SCWRL output # naming current conformation FAMSD_TS5-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS1.pdb.gz looking for model 1 # Found a chain break before 221 # copying to AlignedFragments data structure # naming current conformation FAMS_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_878600625.pdb -s /var/tmp/to_scwrl_878600625.seq -o /var/tmp/from_scwrl_878600625.pdb > /var/tmp/scwrl_878600625.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_878600625.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS1-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS2.pdb.gz looking for model 1 # Found a chain break before 161 # copying to AlignedFragments data structure # naming current conformation FAMS_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1890424358.pdb -s /var/tmp/to_scwrl_1890424358.seq -o /var/tmp/from_scwrl_1890424358.pdb > /var/tmp/scwrl_1890424358.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1890424358.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS2-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS3.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # naming current conformation FAMS_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1107291290.pdb -s /var/tmp/to_scwrl_1107291290.seq -o /var/tmp/from_scwrl_1107291290.pdb > /var/tmp/scwrl_1107291290.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1107291290.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS3-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS4.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # naming current conformation FAMS_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1246257456.pdb -s /var/tmp/to_scwrl_1246257456.seq -o /var/tmp/from_scwrl_1246257456.pdb > /var/tmp/scwrl_1246257456.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1246257456.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS4-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS5.pdb.gz looking for model 1 # Found a chain break before 217 # copying to AlignedFragments data structure # naming current conformation FAMS_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_348138985.pdb -s /var/tmp/to_scwrl_348138985.seq -o /var/tmp/from_scwrl_348138985.pdb > /var/tmp/scwrl_348138985.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_348138985.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS5-scwrl # ReadConformPDB reading from PDB file servers/FOLDpro_TS1.pdb.gz looking for model 1 # Found a chain break before 207 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1154809407.pdb -s /var/tmp/to_scwrl_1154809407.seq -o /var/tmp/from_scwrl_1154809407.pdb > /var/tmp/scwrl_1154809407.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1154809407.pdb # conformation set from SCWRL output # naming current conformation FOLDpro_TS1-scwrl # ReadConformPDB reading from PDB file servers/FOLDpro_TS2.pdb.gz looking for model 1 # Found a chain break before 216 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1685757381.pdb -s /var/tmp/to_scwrl_1685757381.seq -o /var/tmp/from_scwrl_1685757381.pdb > /var/tmp/scwrl_1685757381.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1685757381.pdb # conformation set from SCWRL output # naming current conformation FOLDpro_TS2-scwrl # ReadConformPDB reading from PDB file servers/FOLDpro_TS3.pdb.gz looking for model 1 # Found a chain break before 215 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1360814955.pdb -s /var/tmp/to_scwrl_1360814955.seq -o /var/tmp/from_scwrl_1360814955.pdb > /var/tmp/scwrl_1360814955.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1360814955.pdb # conformation set from SCWRL output # naming current conformation FOLDpro_TS3-scwrl # ReadConformPDB reading from PDB file servers/FOLDpro_TS4.pdb.gz looking for model 1 # Found a chain break before 221 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1272487983.pdb -s /var/tmp/to_scwrl_1272487983.seq -o /var/tmp/from_scwrl_1272487983.pdb > /var/tmp/scwrl_1272487983.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1272487983.pdb # conformation set from SCWRL output # naming current conformation FOLDpro_TS4-scwrl # ReadConformPDB reading from PDB file servers/FOLDpro_TS5.pdb.gz looking for model 1 # Found a chain break before 176 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_292097298.pdb -s /var/tmp/to_scwrl_292097298.seq -o /var/tmp/from_scwrl_292097298.pdb > /var/tmp/scwrl_292097298.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_292097298.pdb # conformation set from SCWRL output # naming current conformation FOLDpro_TS5-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL1.pdb.gz looking for model 1 Skipped atom 38, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 40, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 42, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 44, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 102, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 104, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 106, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 108, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 210, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 212, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 214, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 216, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 266, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 268, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 270, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 272, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 510, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 512, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 514, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 516, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation FORTE1_AL1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1283148375.pdb -s /var/tmp/to_scwrl_1283148375.seq -o /var/tmp/from_scwrl_1283148375.pdb > /var/tmp/scwrl_1283148375.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1283148375.pdb # conformation set from SCWRL output # naming current conformation FORTE1_AL1-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1117036594.pdb -s /var/tmp/to_scwrl_1117036594.seq -o /var/tmp/from_scwrl_1117036594.pdb > /var/tmp/scwrl_1117036594.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1117036594.pdb # conformation set from SCWRL output # naming current conformation FORTE1_AL2-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation FORTE1_AL3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_611989685.pdb -s /var/tmp/to_scwrl_611989685.seq -o /var/tmp/from_scwrl_611989685.pdb > /var/tmp/scwrl_611989685.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_611989685.pdb # conformation set from SCWRL output # naming current conformation FORTE1_AL3-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL4.pdb.gz looking for model 1 Skipped atom 830, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 832, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 834, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 836, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 838, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 840, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 842, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 844, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 846, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 848, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 850, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 852, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 854, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 856, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 858, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 860, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 862, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 864, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 866, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 868, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 870, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 872, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 874, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 876, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_2030986732.pdb -s /var/tmp/to_scwrl_2030986732.seq -o /var/tmp/from_scwrl_2030986732.pdb > /var/tmp/scwrl_2030986732.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2030986732.pdb # conformation set from SCWRL output # naming current conformation FORTE1_AL4-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation FORTE1_AL5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_37919188.pdb -s /var/tmp/to_scwrl_37919188.seq -o /var/tmp/from_scwrl_37919188.pdb > /var/tmp/scwrl_37919188.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_37919188.pdb # conformation set from SCWRL output # naming current conformation FORTE1_AL5-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL1.pdb.gz looking for model 1 Skipped atom 38, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 40, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 42, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 44, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 102, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 104, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 106, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 108, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 210, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 212, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 214, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 216, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 266, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 268, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 270, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 272, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 510, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 512, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 514, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 516, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation FORTE2_AL1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1681162474.pdb -s /var/tmp/to_scwrl_1681162474.seq -o /var/tmp/from_scwrl_1681162474.pdb > /var/tmp/scwrl_1681162474.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1681162474.pdb # conformation set from SCWRL output # naming current conformation FORTE2_AL1-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation FORTE2_AL2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1864863164.pdb -s /var/tmp/to_scwrl_1864863164.seq -o /var/tmp/from_scwrl_1864863164.pdb > /var/tmp/scwrl_1864863164.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1864863164.pdb # conformation set from SCWRL output # naming current conformation FORTE2_AL2-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE2_AL3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_157802110.pdb -s /var/tmp/to_scwrl_157802110.seq -o /var/tmp/from_scwrl_157802110.pdb > /var/tmp/scwrl_157802110.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_157802110.pdb # conformation set from SCWRL output # naming current conformation FORTE2_AL3-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL4.pdb.gz looking for model 1 Skipped atom 830, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 832, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 834, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 836, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 838, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 840, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 842, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 844, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 846, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 848, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 850, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 852, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 854, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 856, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 858, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 860, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 862, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 864, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 866, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 868, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 870, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 872, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 874, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 876, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE2_AL4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1640857613.pdb -s /var/tmp/to_scwrl_1640857613.seq -o /var/tmp/from_scwrl_1640857613.pdb > /var/tmp/scwrl_1640857613.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1640857613.pdb # conformation set from SCWRL output # naming current conformation FORTE2_AL4-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation FORTE2_AL5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1558146716.pdb -s /var/tmp/to_scwrl_1558146716.seq -o /var/tmp/from_scwrl_1558146716.pdb > /var/tmp/scwrl_1558146716.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1558146716.pdb # conformation set from SCWRL output # naming current conformation FORTE2_AL5-scwrl # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS1.pdb.gz looking for model 1 # Found a chain break before 219 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1132462807.pdb -s /var/tmp/to_scwrl_1132462807.seq -o /var/tmp/from_scwrl_1132462807.pdb > /var/tmp/scwrl_1132462807.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1132462807.pdb # conformation set from SCWRL output # naming current conformation FPSOLVER-SERVER_TS1-scwrl # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS2.pdb.gz looking for model 1 # Found a chain break before 214 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_169647426.pdb -s /var/tmp/to_scwrl_169647426.seq -o /var/tmp/from_scwrl_169647426.pdb > /var/tmp/scwrl_169647426.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_169647426.pdb # conformation set from SCWRL output # naming current conformation FPSOLVER-SERVER_TS2-scwrl # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS3.pdb.gz looking for model 1 # Found a chain break before 222 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_392088913.pdb -s /var/tmp/to_scwrl_392088913.seq -o /var/tmp/from_scwrl_392088913.pdb > /var/tmp/scwrl_392088913.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_392088913.pdb # conformation set from SCWRL output # naming current conformation FPSOLVER-SERVER_TS3-scwrl # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS4.pdb.gz looking for model 1 # Found a chain break before 217 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1023341361.pdb -s /var/tmp/to_scwrl_1023341361.seq -o /var/tmp/from_scwrl_1023341361.pdb > /var/tmp/scwrl_1023341361.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1023341361.pdb # conformation set from SCWRL output # naming current conformation FPSOLVER-SERVER_TS4-scwrl # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS5.pdb.gz looking for model 1 # Found a chain break before 210 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1308502188.pdb -s /var/tmp/to_scwrl_1308502188.seq -o /var/tmp/from_scwrl_1308502188.pdb > /var/tmp/scwrl_1308502188.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1308502188.pdb # conformation set from SCWRL output # naming current conformation FPSOLVER-SERVER_TS5-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1424971653.pdb -s /var/tmp/to_scwrl_1424971653.seq -o /var/tmp/from_scwrl_1424971653.pdb > /var/tmp/scwrl_1424971653.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1424971653.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS1-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1512659931.pdb -s /var/tmp/to_scwrl_1512659931.seq -o /var/tmp/from_scwrl_1512659931.pdb > /var/tmp/scwrl_1512659931.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1512659931.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS2-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_2041231997.pdb -s /var/tmp/to_scwrl_2041231997.seq -o /var/tmp/from_scwrl_2041231997.pdb > /var/tmp/scwrl_2041231997.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2041231997.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS3-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1097142955.pdb -s /var/tmp/to_scwrl_1097142955.seq -o /var/tmp/from_scwrl_1097142955.pdb > /var/tmp/scwrl_1097142955.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1097142955.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS4-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_653771487.pdb -s /var/tmp/to_scwrl_653771487.seq -o /var/tmp/from_scwrl_653771487.pdb > /var/tmp/scwrl_653771487.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_653771487.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS5-scwrl # ReadConformPDB reading from PDB file servers/FUGUE_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation FUGUE_AL1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_486661515.pdb -s /var/tmp/to_scwrl_486661515.seq -o /var/tmp/from_scwrl_486661515.pdb > /var/tmp/scwrl_486661515.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_486661515.pdb # conformation set from SCWRL output # naming current conformation FUGUE_AL1-scwrl # ReadConformPDB reading from PDB file servers/FUGUE_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1975743580.pdb -s /var/tmp/to_scwrl_1975743580.seq -o /var/tmp/from_scwrl_1975743580.pdb > /var/tmp/scwrl_1975743580.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1975743580.pdb # conformation set from SCWRL output # naming current conformation FUGUE_AL2-scwrl # ReadConformPDB reading from PDB file servers/FUGUE_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation FUGUE_AL3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_396712198.pdb -s /var/tmp/to_scwrl_396712198.seq -o /var/tmp/from_scwrl_396712198.pdb > /var/tmp/scwrl_396712198.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_396712198.pdb # conformation set from SCWRL output # naming current conformation FUGUE_AL3-scwrl # ReadConformPDB reading from PDB file servers/FUGUE_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation FUGUE_AL4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1593952805.pdb -s /var/tmp/to_scwrl_1593952805.seq -o /var/tmp/from_scwrl_1593952805.pdb > /var/tmp/scwrl_1593952805.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1593952805.pdb # conformation set from SCWRL output # naming current conformation FUGUE_AL4-scwrl # ReadConformPDB reading from PDB file servers/FUGUE_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation FUGUE_AL5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1074517390.pdb -s /var/tmp/to_scwrl_1074517390.seq -o /var/tmp/from_scwrl_1074517390.pdb > /var/tmp/scwrl_1074517390.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1074517390.pdb # conformation set from SCWRL output # naming current conformation FUGUE_AL5-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS1.pdb.gz looking for model 1 # Found a chain break before 223 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_744851184.pdb -s /var/tmp/to_scwrl_744851184.seq -o /var/tmp/from_scwrl_744851184.pdb > /var/tmp/scwrl_744851184.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_744851184.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS1-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS2.pdb.gz looking for model 1 # Found a chain break before 217 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_601278567.pdb -s /var/tmp/to_scwrl_601278567.seq -o /var/tmp/from_scwrl_601278567.pdb > /var/tmp/scwrl_601278567.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_601278567.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS2-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS3.pdb.gz looking for model 1 # Found a chain break before 217 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_612791125.pdb -s /var/tmp/to_scwrl_612791125.seq -o /var/tmp/from_scwrl_612791125.pdb > /var/tmp/scwrl_612791125.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_612791125.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS3-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS4.pdb.gz looking for model 1 # Found a chain break before 218 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_2105666139.pdb -s /var/tmp/to_scwrl_2105666139.seq -o /var/tmp/from_scwrl_2105666139.pdb > /var/tmp/scwrl_2105666139.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2105666139.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS4-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS5.pdb.gz looking for model 1 # Found a chain break before 223 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1873766550.pdb -s /var/tmp/to_scwrl_1873766550.seq -o /var/tmp/from_scwrl_1873766550.pdb > /var/tmp/scwrl_1873766550.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1873766550.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS5-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS1.pdb.gz looking for model 1 # Found a chain break before 212 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_904888423.pdb -s /var/tmp/to_scwrl_904888423.seq -o /var/tmp/from_scwrl_904888423.pdb > /var/tmp/scwrl_904888423.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_904888423.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS1-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS2.pdb.gz looking for model 1 # Found a chain break before 217 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1241330867.pdb -s /var/tmp/to_scwrl_1241330867.seq -o /var/tmp/from_scwrl_1241330867.pdb > /var/tmp/scwrl_1241330867.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1241330867.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS2-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS3.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_843319498.pdb -s /var/tmp/to_scwrl_843319498.seq -o /var/tmp/from_scwrl_843319498.pdb > /var/tmp/scwrl_843319498.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_843319498.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS3-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS4.pdb.gz looking for model 1 # Found a chain break before 199 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1516878107.pdb -s /var/tmp/to_scwrl_1516878107.seq -o /var/tmp/from_scwrl_1516878107.pdb > /var/tmp/scwrl_1516878107.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1516878107.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS4-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS5.pdb.gz looking for model 1 # Found a chain break before 169 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1124833952.pdb -s /var/tmp/to_scwrl_1124833952.seq -o /var/tmp/from_scwrl_1124833952.pdb > /var/tmp/scwrl_1124833952.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1124833952.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS5-scwrl # ReadConformPDB reading from PDB file servers/HHpred1_TS1.pdb.gz looking for model 1 # Found a chain break before 175 # copying to AlignedFragments data structure # naming current conformation HHpred1_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_881238686.pdb -s /var/tmp/to_scwrl_881238686.seq -o /var/tmp/from_scwrl_881238686.pdb > /var/tmp/scwrl_881238686.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_881238686.pdb # conformation set from SCWRL output # naming current conformation HHpred1_TS1-scwrl # ReadConformPDB reading from PDB file servers/HHpred2_TS1.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # naming current conformation HHpred2_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1050556935.pdb -s /var/tmp/to_scwrl_1050556935.seq -o /var/tmp/from_scwrl_1050556935.pdb > /var/tmp/scwrl_1050556935.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1050556935.pdb # conformation set from SCWRL output # naming current conformation HHpred2_TS1-scwrl # ReadConformPDB reading from PDB file servers/HHpred3_TS1.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # naming current conformation HHpred3_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_842213471.pdb -s /var/tmp/to_scwrl_842213471.seq -o /var/tmp/from_scwrl_842213471.pdb > /var/tmp/scwrl_842213471.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_842213471.pdb # conformation set from SCWRL output # naming current conformation HHpred3_TS1-scwrl # ReadConformPDB reading from PDB file servers/Huber-Torda-Server_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1039040796.pdb -s /var/tmp/to_scwrl_1039040796.seq -o /var/tmp/from_scwrl_1039040796.pdb > /var/tmp/scwrl_1039040796.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1039040796.pdb # conformation set from SCWRL output # naming current conformation Huber-Torda-Server_TS1-scwrl # ReadConformPDB reading from PDB file servers/Huber-Torda-Server_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_543930901.pdb -s /var/tmp/to_scwrl_543930901.seq -o /var/tmp/from_scwrl_543930901.pdb > /var/tmp/scwrl_543930901.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_543930901.pdb # conformation set from SCWRL output # naming current conformation Huber-Torda-Server_TS2-scwrl # ReadConformPDB reading from PDB file servers/Huber-Torda-Server_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_252876540.pdb -s /var/tmp/to_scwrl_252876540.seq -o /var/tmp/from_scwrl_252876540.pdb > /var/tmp/scwrl_252876540.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_252876540.pdb # conformation set from SCWRL output # naming current conformation Huber-Torda-Server_TS3-scwrl # ReadConformPDB reading from PDB file servers/Huber-Torda-Server_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_24019956.pdb -s /var/tmp/to_scwrl_24019956.seq -o /var/tmp/from_scwrl_24019956.pdb > /var/tmp/scwrl_24019956.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_24019956.pdb # conformation set from SCWRL output # naming current conformation Huber-Torda-Server_TS4-scwrl # ReadConformPDB reading from PDB file servers/Huber-Torda-Server_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_713578327.pdb -s /var/tmp/to_scwrl_713578327.seq -o /var/tmp/from_scwrl_713578327.pdb > /var/tmp/scwrl_713578327.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_713578327.pdb # conformation set from SCWRL output # naming current conformation Huber-Torda-Server_TS5-scwrl # ReadConformPDB reading from PDB file servers/LOOPP_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation LOOPP_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_644965454.pdb -s /var/tmp/to_scwrl_644965454.seq -o /var/tmp/from_scwrl_644965454.pdb > /var/tmp/scwrl_644965454.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_644965454.pdb # conformation set from SCWRL output # naming current conformation LOOPP_TS1-scwrl # ReadConformPDB reading from PDB file servers/LOOPP_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation LOOPP_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1047361317.pdb -s /var/tmp/to_scwrl_1047361317.seq -o /var/tmp/from_scwrl_1047361317.pdb > /var/tmp/scwrl_1047361317.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1047361317.pdb # conformation set from SCWRL output # naming current conformation LOOPP_TS2-scwrl # ReadConformPDB reading from PDB file servers/LOOPP_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation LOOPP_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_2022080515.pdb -s /var/tmp/to_scwrl_2022080515.seq -o /var/tmp/from_scwrl_2022080515.pdb > /var/tmp/scwrl_2022080515.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2022080515.pdb # conformation set from SCWRL output # naming current conformation LOOPP_TS3-scwrl # ReadConformPDB reading from PDB file servers/LOOPP_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation LOOPP_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_2069937107.pdb -s /var/tmp/to_scwrl_2069937107.seq -o /var/tmp/from_scwrl_2069937107.pdb > /var/tmp/scwrl_2069937107.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2069937107.pdb # conformation set from SCWRL output # naming current conformation LOOPP_TS4-scwrl # ReadConformPDB reading from PDB file servers/LOOPP_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation LOOPP_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_412537602.pdb -s /var/tmp/to_scwrl_412537602.seq -o /var/tmp/from_scwrl_412537602.pdb > /var/tmp/scwrl_412537602.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_412537602.pdb # conformation set from SCWRL output # naming current conformation LOOPP_TS5-scwrl # ReadConformPDB reading from PDB file servers/MIG_FROST_AL1.pdb.gz looking for model 1 Skipped atom 26, because occupancy 1.000 <= existing 1.000 in servers/MIG_FROST_AL1.pdb.gz Skipped atom 28, because occupancy 1.000 <= existing 1.000 in servers/MIG_FROST_AL1.pdb.gz Skipped atom 30, because occupancy 1.000 <= existing 1.000 in servers/MIG_FROST_AL1.pdb.gz Skipped atom 32, because occupancy 1.000 <= existing 1.000 in servers/MIG_FROST_AL1.pdb.gz Skipped atom 66, because occupancy 1.000 <= existing 1.000 in servers/MIG_FROST_AL1.pdb.gz Skipped atom 68, because occupancy 1.000 <= existing 1.000 in servers/MIG_FROST_AL1.pdb.gz Skipped atom 70, because occupancy 1.000 <= existing 1.000 in servers/MIG_FROST_AL1.pdb.gz Skipped atom 72, because occupancy 1.000 <= existing 1.000 in servers/MIG_FROST_AL1.pdb.gz Skipped atom 126, because occupancy 1.000 <= existing 1.000 in servers/MIG_FROST_AL1.pdb.gz Skipped atom 128, because occupancy 1.000 <= existing 1.000 in servers/MIG_FROST_AL1.pdb.gz Skipped atom 130, because occupancy 1.000 <= existing 1.000 in servers/MIG_FROST_AL1.pdb.gz Skipped atom 132, because occupancy 1.000 <= existing 1.000 in servers/MIG_FROST_AL1.pdb.gz Skipped atom 290, because occupancy 1.000 <= existing 1.000 in servers/MIG_FROST_AL1.pdb.gz Skipped atom 292, because occupancy 1.000 <= existing 1.000 in servers/MIG_FROST_AL1.pdb.gz Skipped atom 294, because occupancy 1.000 <= existing 1.000 in servers/MIG_FROST_AL1.pdb.gz Skipped atom 296, because occupancy 1.000 <= existing 1.000 in servers/MIG_FROST_AL1.pdb.gz # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation MIG_FROST_AL1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1915828866.pdb -s /var/tmp/to_scwrl_1915828866.seq -o /var/tmp/from_scwrl_1915828866.pdb > /var/tmp/scwrl_1915828866.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1915828866.pdb # conformation set from SCWRL output # naming current conformation MIG_FROST_AL1-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS1.pdb.gz looking for model 1 # Found a chain break before 215 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1019596416.pdb -s /var/tmp/to_scwrl_1019596416.seq -o /var/tmp/from_scwrl_1019596416.pdb > /var/tmp/scwrl_1019596416.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1019596416.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server_TS1-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS2.pdb.gz looking for model 1 # Found a chain break before 143 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1066309089.pdb -s /var/tmp/to_scwrl_1066309089.seq -o /var/tmp/from_scwrl_1066309089.pdb > /var/tmp/scwrl_1066309089.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1066309089.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server_TS2-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS3.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_255006734.pdb -s /var/tmp/to_scwrl_255006734.seq -o /var/tmp/from_scwrl_255006734.pdb > /var/tmp/scwrl_255006734.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_255006734.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server_TS3-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS4.pdb.gz looking for model 1 # Found a chain break before 176 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_847856350.pdb -s /var/tmp/to_scwrl_847856350.seq -o /var/tmp/from_scwrl_847856350.pdb > /var/tmp/scwrl_847856350.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_847856350.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server_TS4-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS5.pdb.gz looking for model 1 # Found a chain break before 199 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1463021287.pdb -s /var/tmp/to_scwrl_1463021287.seq -o /var/tmp/from_scwrl_1463021287.pdb > /var/tmp/scwrl_1463021287.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1463021287.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server_TS5-scwrl # ReadConformPDB reading from PDB file servers/MetaTasser_TS1.pdb.gz looking for model 1 # Found a chain break before 210 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1848959540.pdb -s /var/tmp/to_scwrl_1848959540.seq -o /var/tmp/from_scwrl_1848959540.pdb > /var/tmp/scwrl_1848959540.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1848959540.pdb # conformation set from SCWRL output # naming current conformation MetaTasser_TS1-scwrl # ReadConformPDB reading from PDB file servers/MetaTasser_TS2.pdb.gz looking for model 1 # Found a chain break before 211 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1922373740.pdb -s /var/tmp/to_scwrl_1922373740.seq -o /var/tmp/from_scwrl_1922373740.pdb > /var/tmp/scwrl_1922373740.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1922373740.pdb # conformation set from SCWRL output # naming current conformation MetaTasser_TS2-scwrl # ReadConformPDB reading from PDB file servers/MetaTasser_TS3.pdb.gz looking for model 1 # Found a chain break before 222 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_60388824.pdb -s /var/tmp/to_scwrl_60388824.seq -o /var/tmp/from_scwrl_60388824.pdb > /var/tmp/scwrl_60388824.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_60388824.pdb # conformation set from SCWRL output # naming current conformation MetaTasser_TS3-scwrl # ReadConformPDB reading from PDB file servers/MetaTasser_TS4.pdb.gz looking for model 1 # Found a chain break before 223 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_302754460.pdb -s /var/tmp/to_scwrl_302754460.seq -o /var/tmp/from_scwrl_302754460.pdb > /var/tmp/scwrl_302754460.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_302754460.pdb # conformation set from SCWRL output # naming current conformation MetaTasser_TS4-scwrl # ReadConformPDB reading from PDB file servers/MetaTasser_TS5.pdb.gz looking for model 1 # Found a chain break before 212 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_387681218.pdb -s /var/tmp/to_scwrl_387681218.seq -o /var/tmp/from_scwrl_387681218.pdb > /var/tmp/scwrl_387681218.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_387681218.pdb # conformation set from SCWRL output # naming current conformation MetaTasser_TS5-scwrl # ReadConformPDB reading from PDB file servers/NN_PUT_lab_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation NN_PUT_lab_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_18571316.pdb -s /var/tmp/to_scwrl_18571316.seq -o /var/tmp/from_scwrl_18571316.pdb > /var/tmp/scwrl_18571316.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_18571316.pdb # conformation set from SCWRL output # naming current conformation NN_PUT_lab_TS1-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS1.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_29037363.pdb -s /var/tmp/to_scwrl_29037363.seq -o /var/tmp/from_scwrl_29037363.pdb > /var/tmp/scwrl_29037363.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_29037363.pdb # conformation set from SCWRL output # naming current conformation PROTINFO-AB_TS1-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS2.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1292569640.pdb -s /var/tmp/to_scwrl_1292569640.seq -o /var/tmp/from_scwrl_1292569640.pdb > /var/tmp/scwrl_1292569640.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1292569640.pdb # conformation set from SCWRL output # naming current conformation PROTINFO-AB_TS2-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS3.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1259902183.pdb -s /var/tmp/to_scwrl_1259902183.seq -o /var/tmp/from_scwrl_1259902183.pdb > /var/tmp/scwrl_1259902183.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1259902183.pdb # conformation set from SCWRL output # naming current conformation PROTINFO-AB_TS3-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS4.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_872356861.pdb -s /var/tmp/to_scwrl_872356861.seq -o /var/tmp/from_scwrl_872356861.pdb > /var/tmp/scwrl_872356861.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_872356861.pdb # conformation set from SCWRL output # naming current conformation PROTINFO-AB_TS4-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS5.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_661964101.pdb -s /var/tmp/to_scwrl_661964101.seq -o /var/tmp/from_scwrl_661964101.pdb > /var/tmp/scwrl_661964101.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_661964101.pdb # conformation set from SCWRL output # naming current conformation PROTINFO-AB_TS5-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS1.pdb.gz looking for model 1 # Found a chain break before 208 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_237252489.pdb -s /var/tmp/to_scwrl_237252489.seq -o /var/tmp/from_scwrl_237252489.pdb > /var/tmp/scwrl_237252489.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_237252489.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS1-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS2.pdb.gz looking for model 1 # Found a chain break before 191 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1753595546.pdb -s /var/tmp/to_scwrl_1753595546.seq -o /var/tmp/from_scwrl_1753595546.pdb > /var/tmp/scwrl_1753595546.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1753595546.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS2-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS3.pdb.gz looking for model 1 # Found a chain break before 218 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1712521035.pdb -s /var/tmp/to_scwrl_1712521035.seq -o /var/tmp/from_scwrl_1712521035.pdb > /var/tmp/scwrl_1712521035.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1712521035.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS3-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS4.pdb.gz looking for model 1 # naming current conformation PROTINFO_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1079465959.pdb -s /var/tmp/to_scwrl_1079465959.seq -o /var/tmp/from_scwrl_1079465959.pdb > /var/tmp/scwrl_1079465959.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1079465959.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS4-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS5.pdb.gz looking for model 1 # Found a chain break before 207 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_645152695.pdb -s /var/tmp/to_scwrl_645152695.seq -o /var/tmp/from_scwrl_645152695.pdb > /var/tmp/scwrl_645152695.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_645152695.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS5-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Pcons6_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_108968289.pdb -s /var/tmp/to_scwrl_108968289.seq -o /var/tmp/from_scwrl_108968289.pdb > /var/tmp/scwrl_108968289.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_108968289.pdb # conformation set from SCWRL output # naming current conformation Pcons6_TS1-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Pcons6_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1332342500.pdb -s /var/tmp/to_scwrl_1332342500.seq -o /var/tmp/from_scwrl_1332342500.pdb > /var/tmp/scwrl_1332342500.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1332342500.pdb # conformation set from SCWRL output # naming current conformation Pcons6_TS2-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Pcons6_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_669172651.pdb -s /var/tmp/to_scwrl_669172651.seq -o /var/tmp/from_scwrl_669172651.pdb > /var/tmp/scwrl_669172651.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_669172651.pdb # conformation set from SCWRL output # naming current conformation Pcons6_TS3-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Pcons6_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_822546616.pdb -s /var/tmp/to_scwrl_822546616.seq -o /var/tmp/from_scwrl_822546616.pdb > /var/tmp/scwrl_822546616.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_822546616.pdb # conformation set from SCWRL output # naming current conformation Pcons6_TS4-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Pcons6_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1977307954.pdb -s /var/tmp/to_scwrl_1977307954.seq -o /var/tmp/from_scwrl_1977307954.pdb > /var/tmp/scwrl_1977307954.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1977307954.pdb # conformation set from SCWRL output # naming current conformation Pcons6_TS5-scwrl # ReadConformPDB reading from PDB file servers/Phyre-1_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-1_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1716533968.pdb -s /var/tmp/to_scwrl_1716533968.seq -o /var/tmp/from_scwrl_1716533968.pdb > /var/tmp/scwrl_1716533968.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1716533968.pdb # conformation set from SCWRL output # naming current conformation Phyre-1_TS1-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS1.pdb.gz looking for model 1 # Found a chain break before 201 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_697143484.pdb -s /var/tmp/to_scwrl_697143484.seq -o /var/tmp/from_scwrl_697143484.pdb > /var/tmp/scwrl_697143484.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_697143484.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS1-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS2.pdb.gz looking for model 1 # Found a chain break before 200 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1899761414.pdb -s /var/tmp/to_scwrl_1899761414.seq -o /var/tmp/from_scwrl_1899761414.pdb > /var/tmp/scwrl_1899761414.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1899761414.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS2-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS3.pdb.gz looking for model 1 # Found a chain break before 200 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_2129071570.pdb -s /var/tmp/to_scwrl_2129071570.seq -o /var/tmp/from_scwrl_2129071570.pdb > /var/tmp/scwrl_2129071570.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2129071570.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS3-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS4.pdb.gz looking for model 1 # Found a chain break before 200 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_465488703.pdb -s /var/tmp/to_scwrl_465488703.seq -o /var/tmp/from_scwrl_465488703.pdb > /var/tmp/scwrl_465488703.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_465488703.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS4-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_771874183.pdb -s /var/tmp/to_scwrl_771874183.seq -o /var/tmp/from_scwrl_771874183.pdb > /var/tmp/scwrl_771874183.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_771874183.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS5-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS1.pdb.gz looking for model 1 # Found a chain break before 150 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1047897012.pdb -s /var/tmp/to_scwrl_1047897012.seq -o /var/tmp/from_scwrl_1047897012.pdb > /var/tmp/scwrl_1047897012.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1047897012.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS1-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_720495438.pdb -s /var/tmp/to_scwrl_720495438.seq -o /var/tmp/from_scwrl_720495438.pdb > /var/tmp/scwrl_720495438.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_720495438.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS2-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1619730532.pdb -s /var/tmp/to_scwrl_1619730532.seq -o /var/tmp/from_scwrl_1619730532.pdb > /var/tmp/scwrl_1619730532.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1619730532.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS3-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_363434652.pdb -s /var/tmp/to_scwrl_363434652.seq -o /var/tmp/from_scwrl_363434652.pdb > /var/tmp/scwrl_363434652.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_363434652.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS4-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS5.pdb.gz looking for model 1 # Found a chain break before 152 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_421971331.pdb -s /var/tmp/to_scwrl_421971331.seq -o /var/tmp/from_scwrl_421971331.pdb > /var/tmp/scwrl_421971331.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_421971331.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS5-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1394620625.pdb -s /var/tmp/to_scwrl_1394620625.seq -o /var/tmp/from_scwrl_1394620625.pdb > /var/tmp/scwrl_1394620625.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1394620625.pdb # conformation set from SCWRL output # naming current conformation RAPTOR-ACE_TS1-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS2.pdb.gz looking for model 1 # Found a chain break before 212 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_423823476.pdb -s /var/tmp/to_scwrl_423823476.seq -o /var/tmp/from_scwrl_423823476.pdb > /var/tmp/scwrl_423823476.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_423823476.pdb # conformation set from SCWRL output # naming current conformation RAPTOR-ACE_TS2-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS3.pdb.gz looking for model 1 # Found a chain break before 197 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_724725791.pdb -s /var/tmp/to_scwrl_724725791.seq -o /var/tmp/from_scwrl_724725791.pdb > /var/tmp/scwrl_724725791.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_724725791.pdb # conformation set from SCWRL output # naming current conformation RAPTOR-ACE_TS3-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1782301843.pdb -s /var/tmp/to_scwrl_1782301843.seq -o /var/tmp/from_scwrl_1782301843.pdb > /var/tmp/scwrl_1782301843.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1782301843.pdb # conformation set from SCWRL output # naming current conformation RAPTOR-ACE_TS4-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS5.pdb.gz looking for model 1 # Found a chain break before 208 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_442394792.pdb -s /var/tmp/to_scwrl_442394792.seq -o /var/tmp/from_scwrl_442394792.pdb > /var/tmp/scwrl_442394792.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_442394792.pdb # conformation set from SCWRL output # naming current conformation RAPTOR-ACE_TS5-scwrl # ReadConformPDB reading from PDB file servers/RAPTORESS_TS1.pdb.gz looking for model 1 # Found a chain break before 202 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_753763154.pdb -s /var/tmp/to_scwrl_753763154.seq -o /var/tmp/from_scwrl_753763154.pdb > /var/tmp/scwrl_753763154.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_753763154.pdb # conformation set from SCWRL output # naming current conformation RAPTORESS_TS1-scwrl # ReadConformPDB reading from PDB file servers/RAPTORESS_TS2.pdb.gz looking for model 1 # Found a chain break before 208 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_927387837.pdb -s /var/tmp/to_scwrl_927387837.seq -o /var/tmp/from_scwrl_927387837.pdb > /var/tmp/scwrl_927387837.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_927387837.pdb # conformation set from SCWRL output # naming current conformation RAPTORESS_TS2-scwrl # ReadConformPDB reading from PDB file servers/RAPTORESS_TS3.pdb.gz looking for model 1 # Found a chain break before 215 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1702296975.pdb -s /var/tmp/to_scwrl_1702296975.seq -o /var/tmp/from_scwrl_1702296975.pdb > /var/tmp/scwrl_1702296975.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1702296975.pdb # conformation set from SCWRL output # naming current conformation RAPTORESS_TS3-scwrl # ReadConformPDB reading from PDB file servers/RAPTORESS_TS4.pdb.gz looking for model 1 # Found a chain break before 218 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1626120014.pdb -s /var/tmp/to_scwrl_1626120014.seq -o /var/tmp/from_scwrl_1626120014.pdb > /var/tmp/scwrl_1626120014.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1626120014.pdb # conformation set from SCWRL output # naming current conformation RAPTORESS_TS4-scwrl # ReadConformPDB reading from PDB file servers/RAPTORESS_TS5.pdb.gz looking for model 1 # Found a chain break before 203 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1589351937.pdb -s /var/tmp/to_scwrl_1589351937.seq -o /var/tmp/from_scwrl_1589351937.pdb > /var/tmp/scwrl_1589351937.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1589351937.pdb # conformation set from SCWRL output # naming current conformation RAPTORESS_TS5-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR_TS1.pdb.gz looking for model 1 # Found a chain break before 217 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1939549465.pdb -s /var/tmp/to_scwrl_1939549465.seq -o /var/tmp/from_scwrl_1939549465.pdb > /var/tmp/scwrl_1939549465.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1939549465.pdb # conformation set from SCWRL output # naming current conformation RAPTOR_TS1-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR_TS2.pdb.gz looking for model 1 # Found a chain break before 212 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1232231913.pdb -s /var/tmp/to_scwrl_1232231913.seq -o /var/tmp/from_scwrl_1232231913.pdb > /var/tmp/scwrl_1232231913.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1232231913.pdb # conformation set from SCWRL output # naming current conformation RAPTOR_TS2-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR_TS3.pdb.gz looking for model 1 # Found a chain break before 212 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1154389325.pdb -s /var/tmp/to_scwrl_1154389325.seq -o /var/tmp/from_scwrl_1154389325.pdb > /var/tmp/scwrl_1154389325.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1154389325.pdb # conformation set from SCWRL output # naming current conformation RAPTOR_TS3-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR_TS4.pdb.gz looking for model 1 # Found a chain break before 215 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_871531778.pdb -s /var/tmp/to_scwrl_871531778.seq -o /var/tmp/from_scwrl_871531778.pdb > /var/tmp/scwrl_871531778.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_871531778.pdb # conformation set from SCWRL output # naming current conformation RAPTOR_TS4-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR_TS5.pdb.gz looking for model 1 # Found a chain break before 217 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1877384608.pdb -s /var/tmp/to_scwrl_1877384608.seq -o /var/tmp/from_scwrl_1877384608.pdb > /var/tmp/scwrl_1877384608.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1877384608.pdb # conformation set from SCWRL output # naming current conformation RAPTOR_TS5-scwrl # ReadConformPDB reading from PDB file servers/ROBETTA_TS1.pdb.gz looking for model 1 # Found a chain break before 154 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1263357614.pdb -s /var/tmp/to_scwrl_1263357614.seq -o /var/tmp/from_scwrl_1263357614.pdb > /var/tmp/scwrl_1263357614.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1263357614.pdb # conformation set from SCWRL output # naming current conformation ROBETTA_TS1-scwrl # ReadConformPDB reading from PDB file servers/ROBETTA_TS2.pdb.gz looking for model 1 # Found a chain break before 197 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_56390631.pdb -s /var/tmp/to_scwrl_56390631.seq -o /var/tmp/from_scwrl_56390631.pdb > /var/tmp/scwrl_56390631.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_56390631.pdb # conformation set from SCWRL output # naming current conformation ROBETTA_TS2-scwrl # ReadConformPDB reading from PDB file servers/ROBETTA_TS3.pdb.gz looking for model 1 # Found a chain break before 150 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_399073612.pdb -s /var/tmp/to_scwrl_399073612.seq -o /var/tmp/from_scwrl_399073612.pdb > /var/tmp/scwrl_399073612.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_399073612.pdb # conformation set from SCWRL output # naming current conformation ROBETTA_TS3-scwrl # ReadConformPDB reading from PDB file servers/ROBETTA_TS4.pdb.gz looking for model 1 # Found a chain break before 152 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_2085904230.pdb -s /var/tmp/to_scwrl_2085904230.seq -o /var/tmp/from_scwrl_2085904230.pdb > /var/tmp/scwrl_2085904230.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2085904230.pdb # conformation set from SCWRL output # naming current conformation ROBETTA_TS4-scwrl # ReadConformPDB reading from PDB file servers/ROBETTA_TS5.pdb.gz looking for model 1 # Found a chain break before 151 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_2033698585.pdb -s /var/tmp/to_scwrl_2033698585.seq -o /var/tmp/from_scwrl_2033698585.pdb > /var/tmp/scwrl_2033698585.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2033698585.pdb # conformation set from SCWRL output # naming current conformation ROBETTA_TS5-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS1.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_2115607580.pdb -s /var/tmp/to_scwrl_2115607580.seq -o /var/tmp/from_scwrl_2115607580.pdb > /var/tmp/scwrl_2115607580.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2115607580.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS1-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS2.pdb.gz looking for model 1 # Found a chain break before 207 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_635564068.pdb -s /var/tmp/to_scwrl_635564068.seq -o /var/tmp/from_scwrl_635564068.pdb > /var/tmp/scwrl_635564068.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_635564068.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS2-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS3.pdb.gz looking for model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1785976352.pdb -s /var/tmp/to_scwrl_1785976352.seq -o /var/tmp/from_scwrl_1785976352.pdb > /var/tmp/scwrl_1785976352.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1785976352.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS3-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS4.pdb.gz looking for model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_2097195503.pdb -s /var/tmp/to_scwrl_2097195503.seq -o /var/tmp/from_scwrl_2097195503.pdb > /var/tmp/scwrl_2097195503.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2097195503.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS4-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS5.pdb.gz looking for model 1 # Found a chain break before 202 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1101052770.pdb -s /var/tmp/to_scwrl_1101052770.seq -o /var/tmp/from_scwrl_1101052770.pdb > /var/tmp/scwrl_1101052770.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1101052770.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS5-scwrl # ReadConformPDB reading from PDB file servers/SAM-T02_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_410366889.pdb -s /var/tmp/to_scwrl_410366889.seq -o /var/tmp/from_scwrl_410366889.pdb > /var/tmp/scwrl_410366889.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_410366889.pdb # conformation set from SCWRL output # naming current conformation SAM-T02_AL1-scwrl # ReadConformPDB reading from PDB file servers/SAM-T02_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_997608869.pdb -s /var/tmp/to_scwrl_997608869.seq -o /var/tmp/from_scwrl_997608869.pdb > /var/tmp/scwrl_997608869.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_997608869.pdb # conformation set from SCWRL output # naming current conformation SAM-T02_AL2-scwrl # ReadConformPDB reading from PDB file servers/SAM-T02_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1821548208.pdb -s /var/tmp/to_scwrl_1821548208.seq -o /var/tmp/from_scwrl_1821548208.pdb > /var/tmp/scwrl_1821548208.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1821548208.pdb # conformation set from SCWRL output # naming current conformation SAM-T02_AL3-scwrl # ReadConformPDB reading from PDB file servers/SAM-T02_AL4.pdb.gz looking for model 1 Skipped atom 314, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 316, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 318, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 320, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 366, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 368, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 370, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 372, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 386, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 388, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 390, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 392, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 394, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 396, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 398, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 400, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 674, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 676, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 678, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 680, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_2030097421.pdb -s /var/tmp/to_scwrl_2030097421.seq -o /var/tmp/from_scwrl_2030097421.pdb > /var/tmp/scwrl_2030097421.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2030097421.pdb # conformation set from SCWRL output # naming current conformation SAM-T02_AL4-scwrl # ReadConformPDB reading from PDB file servers/SAM-T02_AL5.pdb.gz looking for model 1 Skipped atom 34, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 36, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 38, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 40, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 98, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 100, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 102, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 104, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 206, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 208, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 210, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 212, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 262, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 264, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 266, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 268, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 506, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 508, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 510, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 512, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1361043520.pdb -s /var/tmp/to_scwrl_1361043520.seq -o /var/tmp/from_scwrl_1361043520.pdb > /var/tmp/scwrl_1361043520.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1361043520.pdb # conformation set from SCWRL output # naming current conformation SAM-T02_AL5-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_96035892.pdb -s /var/tmp/to_scwrl_96035892.seq -o /var/tmp/from_scwrl_96035892.pdb > /var/tmp/scwrl_96035892.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_96035892.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL1-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL2.pdb.gz looking for model 1 Skipped atom 22, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL2.pdb.gz Skipped atom 24, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL2.pdb.gz Skipped atom 26, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL2.pdb.gz Skipped atom 28, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL2.pdb.gz Skipped atom 86, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL2.pdb.gz Skipped atom 88, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL2.pdb.gz Skipped atom 90, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL2.pdb.gz Skipped atom 92, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL2.pdb.gz Skipped atom 194, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL2.pdb.gz Skipped atom 196, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL2.pdb.gz Skipped atom 198, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL2.pdb.gz Skipped atom 200, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL2.pdb.gz Skipped atom 250, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL2.pdb.gz Skipped atom 252, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL2.pdb.gz Skipped atom 254, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL2.pdb.gz Skipped atom 256, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL2.pdb.gz Skipped atom 494, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL2.pdb.gz Skipped atom 496, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL2.pdb.gz Skipped atom 498, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL2.pdb.gz Skipped atom 500, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL2.pdb.gz # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1277234400.pdb -s /var/tmp/to_scwrl_1277234400.seq -o /var/tmp/from_scwrl_1277234400.pdb > /var/tmp/scwrl_1277234400.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1277234400.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL2-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL3.pdb.gz looking for model 1 Skipped atom 310, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 312, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 314, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 316, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 362, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 364, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 366, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 368, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 382, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 384, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 386, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 388, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 390, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 392, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 394, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 396, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 670, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 672, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 674, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 676, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1784866997.pdb -s /var/tmp/to_scwrl_1784866997.seq -o /var/tmp/from_scwrl_1784866997.pdb > /var/tmp/scwrl_1784866997.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1784866997.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL3-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL4.pdb.gz looking for model 1 Skipped atom 19, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL4.pdb.gz Skipped atom 340, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL4.pdb.gz # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_820761683.pdb -s /var/tmp/to_scwrl_820761683.seq -o /var/tmp/from_scwrl_820761683.pdb > /var/tmp/scwrl_820761683.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_820761683.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL4-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_912052597.pdb -s /var/tmp/to_scwrl_912052597.seq -o /var/tmp/from_scwrl_912052597.pdb > /var/tmp/scwrl_912052597.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_912052597.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL5-scwrl # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS1.pdb.gz looking for model 1 # Found a chain break before 209 # copying to AlignedFragments data structure # naming current conformation SAM_T06_server_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_79778142.pdb -s /var/tmp/to_scwrl_79778142.seq -o /var/tmp/from_scwrl_79778142.pdb > /var/tmp/scwrl_79778142.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_79778142.pdb # conformation set from SCWRL output # naming current conformation SAM_T06_server_TS1-scwrl # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1574524836.pdb -s /var/tmp/to_scwrl_1574524836.seq -o /var/tmp/from_scwrl_1574524836.pdb > /var/tmp/scwrl_1574524836.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1574524836.pdb # conformation set from SCWRL output # naming current conformation SAM_T06_server_TS2-scwrl # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1839440434.pdb -s /var/tmp/to_scwrl_1839440434.seq -o /var/tmp/from_scwrl_1839440434.pdb > /var/tmp/scwrl_1839440434.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1839440434.pdb # conformation set from SCWRL output # naming current conformation SAM_T06_server_TS3-scwrl # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1782075118.pdb -s /var/tmp/to_scwrl_1782075118.seq -o /var/tmp/from_scwrl_1782075118.pdb > /var/tmp/scwrl_1782075118.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1782075118.pdb # conformation set from SCWRL output # naming current conformation SAM_T06_server_TS4-scwrl # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1053161204.pdb -s /var/tmp/to_scwrl_1053161204.seq -o /var/tmp/from_scwrl_1053161204.pdb > /var/tmp/scwrl_1053161204.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1053161204.pdb # conformation set from SCWRL output # naming current conformation SAM_T06_server_TS5-scwrl # ReadConformPDB reading from PDB file servers/SP3_TS1.pdb.gz looking for model 1 # Found a chain break before 212 # copying to AlignedFragments data structure # naming current conformation SP3_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1281308724.pdb -s /var/tmp/to_scwrl_1281308724.seq -o /var/tmp/from_scwrl_1281308724.pdb > /var/tmp/scwrl_1281308724.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1281308724.pdb # conformation set from SCWRL output # naming current conformation SP3_TS1-scwrl # ReadConformPDB reading from PDB file servers/SP3_TS2.pdb.gz looking for model 1 # Found a chain break before 137 # copying to AlignedFragments data structure # naming current conformation SP3_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1574140936.pdb -s /var/tmp/to_scwrl_1574140936.seq -o /var/tmp/from_scwrl_1574140936.pdb > /var/tmp/scwrl_1574140936.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1574140936.pdb # conformation set from SCWRL output # naming current conformation SP3_TS2-scwrl # ReadConformPDB reading from PDB file servers/SP3_TS3.pdb.gz looking for model 1 # Found a chain break before 176 # copying to AlignedFragments data structure # naming current conformation SP3_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_137909470.pdb -s /var/tmp/to_scwrl_137909470.seq -o /var/tmp/from_scwrl_137909470.pdb > /var/tmp/scwrl_137909470.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_137909470.pdb # conformation set from SCWRL output # naming current conformation SP3_TS3-scwrl # ReadConformPDB reading from PDB file servers/SP3_TS4.pdb.gz looking for model 1 # Found a chain break before 210 # copying to AlignedFragments data structure # naming current conformation SP3_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_288214404.pdb -s /var/tmp/to_scwrl_288214404.seq -o /var/tmp/from_scwrl_288214404.pdb > /var/tmp/scwrl_288214404.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_288214404.pdb # conformation set from SCWRL output # naming current conformation SP3_TS4-scwrl # ReadConformPDB reading from PDB file servers/SP3_TS5.pdb.gz looking for model 1 # Found a chain break before 208 # copying to AlignedFragments data structure # naming current conformation SP3_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_298189067.pdb -s /var/tmp/to_scwrl_298189067.seq -o /var/tmp/from_scwrl_298189067.pdb > /var/tmp/scwrl_298189067.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_298189067.pdb # conformation set from SCWRL output # naming current conformation SP3_TS5-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS1.pdb.gz looking for model 1 # Found a chain break before 212 # copying to AlignedFragments data structure # naming current conformation SP4_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_2015294078.pdb -s /var/tmp/to_scwrl_2015294078.seq -o /var/tmp/from_scwrl_2015294078.pdb > /var/tmp/scwrl_2015294078.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2015294078.pdb # conformation set from SCWRL output # naming current conformation SP4_TS1-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS2.pdb.gz looking for model 1 # Found a chain break before 177 # copying to AlignedFragments data structure # naming current conformation SP4_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1551572018.pdb -s /var/tmp/to_scwrl_1551572018.seq -o /var/tmp/from_scwrl_1551572018.pdb > /var/tmp/scwrl_1551572018.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1551572018.pdb # conformation set from SCWRL output # naming current conformation SP4_TS2-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS3.pdb.gz looking for model 1 # Found a chain break before 223 # copying to AlignedFragments data structure # naming current conformation SP4_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_354579699.pdb -s /var/tmp/to_scwrl_354579699.seq -o /var/tmp/from_scwrl_354579699.pdb > /var/tmp/scwrl_354579699.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_354579699.pdb # conformation set from SCWRL output # naming current conformation SP4_TS3-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS4.pdb.gz looking for model 1 # Found a chain break before 169 # copying to AlignedFragments data structure # naming current conformation SP4_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_266884044.pdb -s /var/tmp/to_scwrl_266884044.seq -o /var/tmp/from_scwrl_266884044.pdb > /var/tmp/scwrl_266884044.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_266884044.pdb # conformation set from SCWRL output # naming current conformation SP4_TS4-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS5.pdb.gz looking for model 1 # Found a chain break before 165 # copying to AlignedFragments data structure # naming current conformation SP4_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1489992602.pdb -s /var/tmp/to_scwrl_1489992602.seq -o /var/tmp/from_scwrl_1489992602.pdb > /var/tmp/scwrl_1489992602.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1489992602.pdb # conformation set from SCWRL output # naming current conformation SP4_TS5-scwrl # ReadConformPDB reading from PDB file servers/SPARKS2_TS1.pdb.gz looking for model 1 # Found a chain break before 208 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_240794637.pdb -s /var/tmp/to_scwrl_240794637.seq -o /var/tmp/from_scwrl_240794637.pdb > /var/tmp/scwrl_240794637.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_240794637.pdb # conformation set from SCWRL output # naming current conformation SPARKS2_TS1-scwrl # ReadConformPDB reading from PDB file servers/SPARKS2_TS2.pdb.gz looking for model 1 # Found a chain break before 212 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_235007977.pdb -s /var/tmp/to_scwrl_235007977.seq -o /var/tmp/from_scwrl_235007977.pdb > /var/tmp/scwrl_235007977.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_235007977.pdb # conformation set from SCWRL output # naming current conformation SPARKS2_TS2-scwrl # ReadConformPDB reading from PDB file servers/SPARKS2_TS3.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_2125556670.pdb -s /var/tmp/to_scwrl_2125556670.seq -o /var/tmp/from_scwrl_2125556670.pdb > /var/tmp/scwrl_2125556670.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2125556670.pdb # conformation set from SCWRL output # naming current conformation SPARKS2_TS3-scwrl # ReadConformPDB reading from PDB file servers/SPARKS2_TS4.pdb.gz looking for model 1 # Found a chain break before 202 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_2026770990.pdb -s /var/tmp/to_scwrl_2026770990.seq -o /var/tmp/from_scwrl_2026770990.pdb > /var/tmp/scwrl_2026770990.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2026770990.pdb # conformation set from SCWRL output # naming current conformation SPARKS2_TS4-scwrl # ReadConformPDB reading from PDB file servers/SPARKS2_TS5.pdb.gz looking for model 1 # Found a chain break before 202 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_184719834.pdb -s /var/tmp/to_scwrl_184719834.seq -o /var/tmp/from_scwrl_184719834.pdb > /var/tmp/scwrl_184719834.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_184719834.pdb # conformation set from SCWRL output # naming current conformation SPARKS2_TS5-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_bnmx_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1079125793.pdb -s /var/tmp/to_scwrl_1079125793.seq -o /var/tmp/from_scwrl_1079125793.pdb > /var/tmp/scwrl_1079125793.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1079125793.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_bnmx_TS1-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_bnmx_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_289654232.pdb -s /var/tmp/to_scwrl_289654232.seq -o /var/tmp/from_scwrl_289654232.pdb > /var/tmp/scwrl_289654232.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_289654232.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_bnmx_TS2-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_bnmx_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1182328702.pdb -s /var/tmp/to_scwrl_1182328702.seq -o /var/tmp/from_scwrl_1182328702.pdb > /var/tmp/scwrl_1182328702.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1182328702.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_bnmx_TS3-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_bnmx_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_753190356.pdb -s /var/tmp/to_scwrl_753190356.seq -o /var/tmp/from_scwrl_753190356.pdb > /var/tmp/scwrl_753190356.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_753190356.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_bnmx_TS4-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_bnmx_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_172268006.pdb -s /var/tmp/to_scwrl_172268006.seq -o /var/tmp/from_scwrl_172268006.pdb > /var/tmp/scwrl_172268006.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_172268006.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_bnmx_TS5-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_expm_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation UNI-EID_expm_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_395888576.pdb -s /var/tmp/to_scwrl_395888576.seq -o /var/tmp/from_scwrl_395888576.pdb > /var/tmp/scwrl_395888576.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_395888576.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_expm_TS1-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_849226248.pdb -s /var/tmp/to_scwrl_849226248.seq -o /var/tmp/from_scwrl_849226248.pdb > /var/tmp/scwrl_849226248.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_849226248.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_sfst_AL1-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL2.pdb.gz looking for model 1 Skipped atom 34, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 36, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 38, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 40, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 98, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 100, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 102, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 104, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 206, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 208, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 210, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 212, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 262, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 264, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 266, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 268, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 506, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 508, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 510, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 512, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1449502406.pdb -s /var/tmp/to_scwrl_1449502406.seq -o /var/tmp/from_scwrl_1449502406.pdb > /var/tmp/scwrl_1449502406.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1449502406.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_sfst_AL2-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_33271926.pdb -s /var/tmp/to_scwrl_33271926.seq -o /var/tmp/from_scwrl_33271926.pdb > /var/tmp/scwrl_33271926.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_33271926.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_sfst_AL3-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1669987931.pdb -s /var/tmp/to_scwrl_1669987931.seq -o /var/tmp/from_scwrl_1669987931.pdb > /var/tmp/scwrl_1669987931.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1669987931.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_sfst_AL4-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL5.pdb.gz looking for model 1 Skipped atom 314, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 316, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 318, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 320, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 366, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 368, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 370, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 372, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 386, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 388, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 390, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 392, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 394, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 396, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 398, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 400, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 674, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 676, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 678, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 680, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_214071357.pdb -s /var/tmp/to_scwrl_214071357.seq -o /var/tmp/from_scwrl_214071357.pdb > /var/tmp/scwrl_214071357.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_214071357.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_sfst_AL5-scwrl # ReadConformPDB reading from PDB file servers/Zhang-Server_TS1.pdb.gz looking for model 1 # Found a chain break before 221 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_113050069.pdb -s /var/tmp/to_scwrl_113050069.seq -o /var/tmp/from_scwrl_113050069.pdb > /var/tmp/scwrl_113050069.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_113050069.pdb # conformation set from SCWRL output # naming current conformation Zhang-Server_TS1-scwrl # ReadConformPDB reading from PDB file servers/Zhang-Server_TS2.pdb.gz looking for model 1 # Found a chain break before 207 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1097029120.pdb -s /var/tmp/to_scwrl_1097029120.seq -o /var/tmp/from_scwrl_1097029120.pdb > /var/tmp/scwrl_1097029120.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1097029120.pdb # conformation set from SCWRL output # naming current conformation Zhang-Server_TS2-scwrl # ReadConformPDB reading from PDB file servers/Zhang-Server_TS3.pdb.gz looking for model 1 # Found a chain break before 195 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_2053511791.pdb -s /var/tmp/to_scwrl_2053511791.seq -o /var/tmp/from_scwrl_2053511791.pdb > /var/tmp/scwrl_2053511791.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2053511791.pdb # conformation set from SCWRL output # naming current conformation Zhang-Server_TS3-scwrl # ReadConformPDB reading from PDB file servers/Zhang-Server_TS4.pdb.gz looking for model 1 # Found a chain break before 206 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1895125187.pdb -s /var/tmp/to_scwrl_1895125187.seq -o /var/tmp/from_scwrl_1895125187.pdb > /var/tmp/scwrl_1895125187.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1895125187.pdb # conformation set from SCWRL output # naming current conformation Zhang-Server_TS4-scwrl # ReadConformPDB reading from PDB file servers/Zhang-Server_TS5.pdb.gz looking for model 1 # Found a chain break before 223 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_2706678.pdb -s /var/tmp/to_scwrl_2706678.seq -o /var/tmp/from_scwrl_2706678.pdb > /var/tmp/scwrl_2706678.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2706678.pdb # conformation set from SCWRL output # naming current conformation Zhang-Server_TS5-scwrl # ReadConformPDB reading from PDB file servers/beautshot_TS1.pdb.gz looking for model 1 # Found a chain break before 221 # copying to AlignedFragments data structure # naming current conformation beautshot_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1187336868.pdb -s /var/tmp/to_scwrl_1187336868.seq -o /var/tmp/from_scwrl_1187336868.pdb > /var/tmp/scwrl_1187336868.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1187336868.pdb # conformation set from SCWRL output # naming current conformation beautshot_TS1-scwrl # ReadConformPDB reading from PDB file servers/beautshotbase_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation beautshotbase_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1321782476.pdb -s /var/tmp/to_scwrl_1321782476.seq -o /var/tmp/from_scwrl_1321782476.pdb > /var/tmp/scwrl_1321782476.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1321782476.pdb # conformation set from SCWRL output # naming current conformation beautshotbase_TS1-scwrl # ReadConformPDB reading from PDB file servers/forecast-s_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation forecast-s_AL1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_140616148.pdb -s /var/tmp/to_scwrl_140616148.seq -o /var/tmp/from_scwrl_140616148.pdb > /var/tmp/scwrl_140616148.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_140616148.pdb # conformation set from SCWRL output # naming current conformation forecast-s_AL1-scwrl # ReadConformPDB reading from PDB file servers/forecast-s_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation forecast-s_AL2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1475551272.pdb -s /var/tmp/to_scwrl_1475551272.seq -o /var/tmp/from_scwrl_1475551272.pdb > /var/tmp/scwrl_1475551272.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1475551272.pdb # conformation set from SCWRL output # naming current conformation forecast-s_AL2-scwrl # ReadConformPDB reading from PDB file servers/forecast-s_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation forecast-s_AL3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1619971543.pdb -s /var/tmp/to_scwrl_1619971543.seq -o /var/tmp/from_scwrl_1619971543.pdb > /var/tmp/scwrl_1619971543.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1619971543.pdb # conformation set from SCWRL output # naming current conformation forecast-s_AL3-scwrl # ReadConformPDB reading from PDB file servers/forecast-s_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation forecast-s_AL4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_8426580.pdb -s /var/tmp/to_scwrl_8426580.seq -o /var/tmp/from_scwrl_8426580.pdb > /var/tmp/scwrl_8426580.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_8426580.pdb # conformation set from SCWRL output # naming current conformation forecast-s_AL4-scwrl # ReadConformPDB reading from PDB file servers/forecast-s_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation forecast-s_AL5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_879639645.pdb -s /var/tmp/to_scwrl_879639645.seq -o /var/tmp/from_scwrl_879639645.pdb > /var/tmp/scwrl_879639645.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_879639645.pdb # conformation set from SCWRL output # naming current conformation forecast-s_AL5-scwrl # ReadConformPDB reading from PDB file servers/gtg_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation gtg_AL1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1974551242.pdb -s /var/tmp/to_scwrl_1974551242.seq -o /var/tmp/from_scwrl_1974551242.pdb > /var/tmp/scwrl_1974551242.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1974551242.pdb # conformation set from SCWRL output # naming current conformation gtg_AL1-scwrl # ReadConformPDB reading from PDB file servers/gtg_AL2.pdb.gz looking for model 1 Skipped atom 26, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL2.pdb.gz Skipped atom 28, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL2.pdb.gz Skipped atom 30, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL2.pdb.gz Skipped atom 32, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL2.pdb.gz Skipped atom 90, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL2.pdb.gz Skipped atom 92, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL2.pdb.gz Skipped atom 94, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL2.pdb.gz Skipped atom 96, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL2.pdb.gz Skipped atom 198, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL2.pdb.gz Skipped atom 200, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL2.pdb.gz Skipped atom 202, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL2.pdb.gz Skipped atom 204, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL2.pdb.gz Skipped atom 254, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL2.pdb.gz Skipped atom 256, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL2.pdb.gz Skipped atom 258, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL2.pdb.gz Skipped atom 260, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL2.pdb.gz Skipped atom 498, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL2.pdb.gz Skipped atom 500, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL2.pdb.gz Skipped atom 502, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL2.pdb.gz Skipped atom 504, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL2.pdb.gz # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation gtg_AL2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_275310624.pdb -s /var/tmp/to_scwrl_275310624.seq -o /var/tmp/from_scwrl_275310624.pdb > /var/tmp/scwrl_275310624.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_275310624.pdb # conformation set from SCWRL output # naming current conformation gtg_AL2-scwrl # ReadConformPDB reading from PDB file servers/gtg_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation gtg_AL3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_222148600.pdb -s /var/tmp/to_scwrl_222148600.seq -o /var/tmp/from_scwrl_222148600.pdb > /var/tmp/scwrl_222148600.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_222148600.pdb # conformation set from SCWRL output # naming current conformation gtg_AL3-scwrl # ReadConformPDB reading from PDB file servers/gtg_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation gtg_AL4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_67862233.pdb -s /var/tmp/to_scwrl_67862233.seq -o /var/tmp/from_scwrl_67862233.pdb > /var/tmp/scwrl_67862233.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_67862233.pdb # conformation set from SCWRL output # naming current conformation gtg_AL4-scwrl # ReadConformPDB reading from PDB file servers/gtg_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation gtg_AL5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_510318601.pdb -s /var/tmp/to_scwrl_510318601.seq -o /var/tmp/from_scwrl_510318601.pdb > /var/tmp/scwrl_510318601.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_510318601.pdb # conformation set from SCWRL output # naming current conformation gtg_AL5-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS1.pdb.gz looking for model 1 # Found a chain break before 217 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_200221623.pdb -s /var/tmp/to_scwrl_200221623.seq -o /var/tmp/from_scwrl_200221623.pdb > /var/tmp/scwrl_200221623.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_200221623.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.2_TS1-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS2.pdb.gz looking for model 1 # Found a chain break before 217 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_2094633223.pdb -s /var/tmp/to_scwrl_2094633223.seq -o /var/tmp/from_scwrl_2094633223.pdb > /var/tmp/scwrl_2094633223.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2094633223.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.2_TS2-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS3.pdb.gz looking for model 1 # Found a chain break before 204 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_695038435.pdb -s /var/tmp/to_scwrl_695038435.seq -o /var/tmp/from_scwrl_695038435.pdb > /var/tmp/scwrl_695038435.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_695038435.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.2_TS3-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS4.pdb.gz looking for model 1 # Found a chain break before 221 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1279347416.pdb -s /var/tmp/to_scwrl_1279347416.seq -o /var/tmp/from_scwrl_1279347416.pdb > /var/tmp/scwrl_1279347416.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1279347416.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.2_TS4-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS5.pdb.gz looking for model 1 # Found a chain break before 217 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_236803808.pdb -s /var/tmp/to_scwrl_236803808.seq -o /var/tmp/from_scwrl_236803808.pdb > /var/tmp/scwrl_236803808.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_236803808.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.2_TS5-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS1.pdb.gz looking for model 1 WARNING: atoms too close: (T0303)G144.O and (T0303)Q145.N only 0.000 apart, marking (T0303)Q145.N as missing # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1877367137.pdb -s /var/tmp/to_scwrl_1877367137.seq -o /var/tmp/from_scwrl_1877367137.pdb > /var/tmp/scwrl_1877367137.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1877367137.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS1-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS2.pdb.gz looking for model 1 WARNING: atoms too close: (T0303)H124.O and (T0303)V125.N only 0.000 apart, marking (T0303)V125.N as missing # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_2032537772.pdb -s /var/tmp/to_scwrl_2032537772.seq -o /var/tmp/from_scwrl_2032537772.pdb > /var/tmp/scwrl_2032537772.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2032537772.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS2-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS3.pdb.gz looking for model 1 # Found a chain break before 221 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_409071814.pdb -s /var/tmp/to_scwrl_409071814.seq -o /var/tmp/from_scwrl_409071814.pdb > /var/tmp/scwrl_409071814.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_409071814.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS3-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS4.pdb.gz looking for model 1 WARNING: atoms too close: (T0303)V116.O and (T0303)V117.N only 0.000 apart, marking (T0303)V117.N as missing # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_125772067.pdb -s /var/tmp/to_scwrl_125772067.seq -o /var/tmp/from_scwrl_125772067.pdb > /var/tmp/scwrl_125772067.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_125772067.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS4-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS5.pdb.gz looking for model 1 WARNING: atoms too close: (T0303)P152.O and (T0303)H153.N only 0.000 apart, marking (T0303)H153.N as missing # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_734280374.pdb -s /var/tmp/to_scwrl_734280374.seq -o /var/tmp/from_scwrl_734280374.pdb > /var/tmp/scwrl_734280374.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_734280374.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS5-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv_TS1.pdb.gz looking for model 1 # Found a chain break before 199 # copying to AlignedFragments data structure # naming current conformation karypis.srv_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1858574221.pdb -s /var/tmp/to_scwrl_1858574221.seq -o /var/tmp/from_scwrl_1858574221.pdb > /var/tmp/scwrl_1858574221.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1858574221.pdb # conformation set from SCWRL output # naming current conformation karypis.srv_TS1-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_159043993.pdb -s /var/tmp/to_scwrl_159043993.seq -o /var/tmp/from_scwrl_159043993.pdb > /var/tmp/scwrl_159043993.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_159043993.pdb # conformation set from SCWRL output # naming current conformation karypis.srv_TS2-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_256784658.pdb -s /var/tmp/to_scwrl_256784658.seq -o /var/tmp/from_scwrl_256784658.pdb > /var/tmp/scwrl_256784658.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_256784658.pdb # conformation set from SCWRL output # naming current conformation karypis.srv_TS3-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv_TS4.pdb.gz looking for model 1 # Found a chain break before 201 # copying to AlignedFragments data structure # naming current conformation karypis.srv_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_2072645578.pdb -s /var/tmp/to_scwrl_2072645578.seq -o /var/tmp/from_scwrl_2072645578.pdb > /var/tmp/scwrl_2072645578.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2072645578.pdb # conformation set from SCWRL output # naming current conformation karypis.srv_TS4-scwrl # ReadConformPDB reading from PDB file servers/mGen-3D_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation mGen-3D_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_272094062.pdb -s /var/tmp/to_scwrl_272094062.seq -o /var/tmp/from_scwrl_272094062.pdb > /var/tmp/scwrl_272094062.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_272094062.pdb # conformation set from SCWRL output # naming current conformation mGen-3D_TS1-scwrl # ReadConformPDB reading from PDB file servers/nFOLD_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation nFOLD_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1353813778.pdb -s /var/tmp/to_scwrl_1353813778.seq -o /var/tmp/from_scwrl_1353813778.pdb > /var/tmp/scwrl_1353813778.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1353813778.pdb # conformation set from SCWRL output # naming current conformation nFOLD_TS1-scwrl # ReadConformPDB reading from PDB file servers/nFOLD_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation nFOLD_TS2 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1978673722.pdb -s /var/tmp/to_scwrl_1978673722.seq -o /var/tmp/from_scwrl_1978673722.pdb > /var/tmp/scwrl_1978673722.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1978673722.pdb # conformation set from SCWRL output # naming current conformation nFOLD_TS2-scwrl # ReadConformPDB reading from PDB file servers/nFOLD_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation nFOLD_TS3 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_19735602.pdb -s /var/tmp/to_scwrl_19735602.seq -o /var/tmp/from_scwrl_19735602.pdb > /var/tmp/scwrl_19735602.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_19735602.pdb # conformation set from SCWRL output # naming current conformation nFOLD_TS3-scwrl # ReadConformPDB reading from PDB file servers/nFOLD_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation nFOLD_TS4 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1356520456.pdb -s /var/tmp/to_scwrl_1356520456.seq -o /var/tmp/from_scwrl_1356520456.pdb > /var/tmp/scwrl_1356520456.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1356520456.pdb # conformation set from SCWRL output # naming current conformation nFOLD_TS4-scwrl # ReadConformPDB reading from PDB file servers/nFOLD_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation nFOLD_TS5 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1018526944.pdb -s /var/tmp/to_scwrl_1018526944.seq -o /var/tmp/from_scwrl_1018526944.pdb > /var/tmp/scwrl_1018526944.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1018526944.pdb # conformation set from SCWRL output # naming current conformation nFOLD_TS5-scwrl # ReadConformPDB reading from PDB file servers/panther2_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0303 can't currently be optimized by undertaker # naming current conformation panther2_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1341518078.pdb -s /var/tmp/to_scwrl_1341518078.seq -o /var/tmp/from_scwrl_1341518078.pdb > /var/tmp/scwrl_1341518078.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1341518078.pdb # conformation set from SCWRL output # naming current conformation panther2_TS1-scwrl # ReadConformPDB reading from PDB file servers/shub_TS1.pdb.gz looking for model 1 # Found a chain break before 223 # copying to AlignedFragments data structure # naming current conformation shub_TS1 # request to SCWRL produces command: ulimit -t 202 ; scwrl3 -i /var/tmp/to_scwrl_1497136605.pdb -s /var/tmp/to_scwrl_1497136605.seq -o /var/tmp/from_scwrl_1497136605.pdb > /var/tmp/scwrl_1497136605.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1497136605.pdb # conformation set from SCWRL output # naming current conformation shub_TS1-scwrl # command:CPU_time= 46.102 sec, elapsed time= 332.405 sec) # command:# Prefix for output files set to decoys/ # command:# Will now start reporting costs to decoys/evaluate_2.rdb # command:# CostConform Warning: Couldn't open file decoys//projects/compbio/experiments/undertaker/spots/near-backbone-center.spot or decoys//projects/compbio/experiments/undertaker/spots/near-backbone-center.spot.gz for input Trying /projects/compbio/experiments/undertaker/spots/near-backbone-center.spot # Reading spots from /projects/compbio/experiments/undertaker/spots/near-backbone-center.spot shub_TS1-scwrl costs 0 real_cost = -54.0911 shub_TS1 costs 0 real_cost = -39.8346 panther2_TS1-scwrl costs 0 real_cost = -84.6178 panther2_TS1 costs 0 real_cost = -77.112 nFOLD_TS5-scwrl costs 0 real_cost = 10.1587 nFOLD_TS5 costs 0 real_cost = 107.31 nFOLD_TS4-scwrl costs 0 real_cost = 145.855 nFOLD_TS4 costs 0 real_cost = 262.911 nFOLD_TS3-scwrl costs 0 real_cost = -30.0799 nFOLD_TS3 costs 0 real_cost = 90.6777 nFOLD_TS2-scwrl costs 0 real_cost = -29.0378 nFOLD_TS2 costs 0 real_cost = 82.3944 nFOLD_TS1-scwrl costs 0 real_cost = 54.5796 nFOLD_TS1 costs 0 real_cost = 187.583 mGen-3D_TS1-scwrl costs 0 real_cost = -56.1496 mGen-3D_TS1 costs 0 real_cost = 54.5998 karypis.srv_TS4-scwrl costs 0 real_cost = 164.56 karypis.srv_TS4 costs 0 real_cost = 164.56 karypis.srv_TS3-scwrl costs 0 real_cost = 166.123 karypis.srv_TS3 costs 0 real_cost = 166.123 karypis.srv_TS2-scwrl costs 0 real_cost = -78.448 karypis.srv_TS2 costs 0 real_cost = -78.448 karypis.srv_TS1-scwrl costs 0 real_cost = -139.927 karypis.srv_TS1 costs 0 real_cost = -139.927 karypis.srv.4_TS5-scwrl costs 0 real_cost = 194.156 karypis.srv.4_TS5 costs 0 real_cost = 194.156 karypis.srv.4_TS4-scwrl costs 0 real_cost = 252.97 karypis.srv.4_TS4 costs 0 real_cost = 252.97 karypis.srv.4_TS3-scwrl costs 0 real_cost = 253.701 karypis.srv.4_TS3 costs 0 real_cost = 253.701 karypis.srv.4_TS2-scwrl costs 0 real_cost = 208.799 karypis.srv.4_TS2 costs 0 real_cost = 208.799 karypis.srv.4_TS1-scwrl costs 0 real_cost = 216.099 karypis.srv.4_TS1 costs 0 real_cost = 216.099 karypis.srv.2_TS5-scwrl costs 0 real_cost = -129.46 karypis.srv.2_TS5 costs 0 real_cost = -129.598 karypis.srv.2_TS4-scwrl costs 0 real_cost = -72.0856 karypis.srv.2_TS4 costs 0 real_cost = -72.0856 karypis.srv.2_TS3-scwrl costs 0 real_cost = -79.9252 karypis.srv.2_TS3 costs 0 real_cost = -79.9252 karypis.srv.2_TS2-scwrl costs 0 real_cost = -77.991 karypis.srv.2_TS2 costs 0 real_cost = -78.2022 karypis.srv.2_TS1-scwrl costs 0 real_cost = -74.2112 karypis.srv.2_TS1 costs 0 real_cost = -74.2112 gtg_AL5-scwrl costs 0 real_cost = 27.4258 gtg_AL5 costs 0 real_cost = 144.411 gtg_AL4-scwrl costs 0 real_cost = 196.26 gtg_AL4 costs 0 real_cost = 327.215 gtg_AL3-scwrl costs 0 real_cost = 294.133 gtg_AL3 costs 0 real_cost = 402.398 gtg_AL2-scwrl costs 0 real_cost = 27.5804 gtg_AL2 costs 0 real_cost = 158.952 gtg_AL1-scwrl costs 0 real_cost = 321.236 gtg_AL1 costs 0 real_cost = 451.32 forecast-s_AL5-scwrl costs 0 real_cost = 163.23 forecast-s_AL5 costs 0 real_cost = 298.264 forecast-s_AL4-scwrl costs 0 real_cost = 187.523 forecast-s_AL4 costs 0 real_cost = 331.65 forecast-s_AL3-scwrl costs 0 real_cost = 190.528 forecast-s_AL3 costs 0 real_cost = 345.694 forecast-s_AL2-scwrl costs 0 real_cost = -71.9844 forecast-s_AL2 costs 0 real_cost = 78.899 forecast-s_AL1-scwrl costs 0 real_cost = -117.984 forecast-s_AL1 costs 0 real_cost = 43.3166 beautshotbase_TS1-scwrl costs 0 real_cost = -94.3445 beautshotbase_TS1 costs 0 real_cost = -86.3501 beautshot_TS1-scwrl costs 0 real_cost = -82.1679 beautshot_TS1 costs 0 real_cost = -88.3572 Zhang-Server_TS5-scwrl costs 0 real_cost = 147.109 Zhang-Server_TS5 costs 0 real_cost = 146.19 Zhang-Server_TS4-scwrl costs 0 real_cost = 73.3729 Zhang-Server_TS4 costs 0 real_cost = 84.3149 Zhang-Server_TS3-scwrl costs 0 real_cost = -10.761 Zhang-Server_TS3 costs 0 real_cost = -4.53845 Zhang-Server_TS2-scwrl costs 0 real_cost = -229.458 Zhang-Server_TS2 costs 0 real_cost = -212.878 Zhang-Server_TS1-scwrl costs 0 real_cost = -225.532 Zhang-Server_TS1 costs 0 real_cost = -212.355 UNI-EID_sfst_AL5-scwrl costs 0 real_cost = -3.74812 UNI-EID_sfst_AL5 costs 0 real_cost = 141.673 UNI-EID_sfst_AL4-scwrl costs 0 real_cost = -116.493 UNI-EID_sfst_AL4 costs 0 real_cost = 35.4267 UNI-EID_sfst_AL3-scwrl costs 0 real_cost = 1.41656 UNI-EID_sfst_AL3 costs 0 real_cost = 155.888 UNI-EID_sfst_AL2-scwrl costs 0 real_cost = -57.9461 UNI-EID_sfst_AL2 costs 0 real_cost = 81.6822 UNI-EID_sfst_AL1-scwrl costs 0 real_cost = -106.87 UNI-EID_sfst_AL1 costs 0 real_cost = 50.4894 UNI-EID_expm_TS1-scwrl costs 0 real_cost = -1.58033 UNI-EID_expm_TS1 costs 0 real_cost = -1.58089 UNI-EID_bnmx_TS5-scwrl costs 0 real_cost = -2.94812 UNI-EID_bnmx_TS5 costs 0 real_cost = 141.673 UNI-EID_bnmx_TS4-scwrl costs 0 real_cost = -115.693 UNI-EID_bnmx_TS4 costs 0 real_cost = 34.6267 UNI-EID_bnmx_TS3-scwrl costs 0 real_cost = 1.41656 UNI-EID_bnmx_TS3 costs 0 real_cost = 155.888 UNI-EID_bnmx_TS2-scwrl costs 0 real_cost = -52.9461 UNI-EID_bnmx_TS2 costs 0 real_cost = 89.2822 UNI-EID_bnmx_TS1-scwrl costs 0 real_cost = -106.87 UNI-EID_bnmx_TS1 costs 0 real_cost = 50.4894 SPARKS2_TS5-scwrl costs 0 real_cost = -162.922 SPARKS2_TS5 costs 0 real_cost = -155.118 SPARKS2_TS4-scwrl costs 0 real_cost = -67.5708 SPARKS2_TS4 costs 0 real_cost = -53.6817 SPARKS2_TS3-scwrl costs 0 real_cost = 32.2821 SPARKS2_TS3 costs 0 real_cost = 39.4713 SPARKS2_TS2-scwrl costs 0 real_cost = -117.101 SPARKS2_TS2 costs 0 real_cost = -107.076 SPARKS2_TS1-scwrl costs 0 real_cost = -20.4618 SPARKS2_TS1 costs 0 real_cost = -22.0776 SP4_TS5-scwrl costs 0 real_cost = -153.949 SP4_TS5 costs 0 real_cost = -147.942 SP4_TS4-scwrl costs 0 real_cost = -40.0991 SP4_TS4 costs 0 real_cost = -33.1117 SP4_TS3-scwrl costs 0 real_cost = -121.423 SP4_TS3 costs 0 real_cost = -123.576 SP4_TS2-scwrl costs 0 real_cost = -39.36 SP4_TS2 costs 0 real_cost = -23.8821 SP4_TS1-scwrl costs 0 real_cost = -82.3991 SP4_TS1 costs 0 real_cost = -71.9978 SP3_TS5-scwrl costs 0 real_cost = -103.975 SP3_TS5 costs 0 real_cost = -109.6 SP3_TS4-scwrl costs 0 real_cost = -159.494 SP3_TS4 costs 0 real_cost = -153.51 SP3_TS3-scwrl costs 0 real_cost = -39.0868 SP3_TS3 costs 0 real_cost = -24.9008 SP3_TS2-scwrl costs 0 real_cost = 32.0559 SP3_TS2 costs 0 real_cost = 41.9575 SP3_TS1-scwrl costs 0 real_cost = -82.3991 SP3_TS1 costs 0 real_cost = -71.9978 SAM_T06_server_TS5-scwrl costs 0 real_cost = 9.4207 SAM_T06_server_TS5 costs 0 real_cost = -23.9234 SAM_T06_server_TS4-scwrl costs 0 real_cost = 35.1487 SAM_T06_server_TS4 costs 0 real_cost = -2.89375 SAM_T06_server_TS3-scwrl costs 0 real_cost = 67.8441 SAM_T06_server_TS3 costs 0 real_cost = 35.2867 SAM_T06_server_TS2-scwrl costs 0 real_cost = -78.3596 SAM_T06_server_TS2 costs 0 real_cost = -97.5198 SAM_T06_server_TS1-scwrl costs 0 real_cost = 158.857 SAM_T06_server_TS1 costs 0 real_cost = 156.074 SAM-T99_AL5-scwrl costs 0 real_cost = -95.6817 SAM-T99_AL5 costs 0 real_cost = 51.0382 SAM-T99_AL4-scwrl costs 0 real_cost = 69.9942 SAM-T99_AL4 costs 0 real_cost = 224.976 SAM-T99_AL3-scwrl costs 0 real_cost = 56.0341 SAM-T99_AL3 costs 0 real_cost = 193.836 SAM-T99_AL2-scwrl costs 0 real_cost = -43.8694 SAM-T99_AL2 costs 0 real_cost = 102.813 SAM-T99_AL1-scwrl costs 0 real_cost = -96.2699 SAM-T99_AL1 costs 0 real_cost = 53.6894 SAM-T02_AL5-scwrl costs 0 real_cost = -56.1496 SAM-T02_AL5 costs 0 real_cost = 87.277 SAM-T02_AL4-scwrl costs 0 real_cost = 12.1986 SAM-T02_AL4 costs 0 real_cost = 154.303 SAM-T02_AL3-scwrl costs 0 real_cost = 145.301 SAM-T02_AL3 costs 0 real_cost = 300.718 SAM-T02_AL2-scwrl costs 0 real_cost = 177.065 SAM-T02_AL2 costs 0 real_cost = 338.67 SAM-T02_AL1-scwrl costs 0 real_cost = -100.67 SAM-T02_AL1 costs 0 real_cost = 52.0894 ROKKY_TS5-scwrl costs 0 real_cost = -61.9626 ROKKY_TS5 costs 0 real_cost = -51.1781 ROKKY_TS4-scwrl costs 0 real_cost = -181.033 ROKKY_TS4 costs 0 real_cost = -165.392 ROKKY_TS3-scwrl costs 0 real_cost = -160.873 ROKKY_TS3 costs 0 real_cost = -150.493 ROKKY_TS2-scwrl costs 0 real_cost = 53.8815 ROKKY_TS2 costs 0 real_cost = 61.6281 ROKKY_TS1-scwrl costs 0 real_cost = -140.169 ROKKY_TS1 costs 0 real_cost = -126.878 ROBETTA_TS5-scwrl costs 0 real_cost = -49.632 ROBETTA_TS5 costs 0 real_cost = -40.1786 ROBETTA_TS4-scwrl costs 0 real_cost = -168.218 ROBETTA_TS4 costs 0 real_cost = -157.213 ROBETTA_TS3-scwrl costs 0 real_cost = -156.911 ROBETTA_TS3 costs 0 real_cost = -153.137 ROBETTA_TS2-scwrl costs 0 real_cost = -68.2506 ROBETTA_TS2 costs 0 real_cost = -74.0178 ROBETTA_TS1-scwrl costs 0 real_cost = -80.6836 ROBETTA_TS1 costs 0 real_cost = -80.4592 RAPTOR_TS5-scwrl costs 0 real_cost = 31.8349 RAPTOR_TS5 costs 0 real_cost = 41.6221 RAPTOR_TS4-scwrl costs 0 real_cost = -159.332 RAPTOR_TS4 costs 0 real_cost = -148.414 RAPTOR_TS3-scwrl costs 0 real_cost = -23.0081 RAPTOR_TS3 costs 0 real_cost = -15.524 RAPTOR_TS2-scwrl costs 0 real_cost = -77.8559 RAPTOR_TS2 costs 0 real_cost = -73.2437 RAPTOR_TS1-scwrl costs 0 real_cost = -86.4336 RAPTOR_TS1 costs 0 real_cost = -80.9902 RAPTORESS_TS5-scwrl costs 0 real_cost = 67.2473 RAPTORESS_TS5 costs 0 real_cost = 71.9666 RAPTORESS_TS4-scwrl costs 0 real_cost = -162.622 RAPTORESS_TS4 costs 0 real_cost = -153.82 RAPTORESS_TS3-scwrl costs 0 real_cost = -10.8596 RAPTORESS_TS3 costs 0 real_cost = -0.931478 RAPTORESS_TS2-scwrl costs 0 real_cost = -73.1736 RAPTORESS_TS2 costs 0 real_cost = -58.0359 RAPTORESS_TS1-scwrl costs 0 real_cost = -79.7361 RAPTORESS_TS1 costs 0 real_cost = -69.0077 RAPTOR-ACE_TS5-scwrl costs 0 real_cost = 118.238 RAPTOR-ACE_TS5 costs 0 real_cost = 123.891 RAPTOR-ACE_TS4-scwrl costs 0 real_cost = -70.465 RAPTOR-ACE_TS4 costs 0 real_cost = -57.0389 RAPTOR-ACE_TS3-scwrl costs 0 real_cost = -112.667 RAPTOR-ACE_TS3 costs 0 real_cost = -99.9421 RAPTOR-ACE_TS2-scwrl costs 0 real_cost = -82.3991 RAPTOR-ACE_TS2 costs 0 real_cost = -71.9978 RAPTOR-ACE_TS1-scwrl costs 0 real_cost = -105.575 RAPTOR-ACE_TS1 costs 0 real_cost = -90.6199 Pmodeller6_TS5-scwrl costs 0 real_cost = -168.218 Pmodeller6_TS5 costs 0 real_cost = -157.213 Pmodeller6_TS4-scwrl costs 0 real_cost = -182.947 Pmodeller6_TS4 costs 0 real_cost = -182.947 Pmodeller6_TS3-scwrl costs 0 real_cost = -182.947 Pmodeller6_TS3 costs 0 real_cost = -182.947 Pmodeller6_TS2-scwrl costs 0 real_cost = -183.201 Pmodeller6_TS2 costs 0 real_cost = -184.911 Pmodeller6_TS1-scwrl costs 0 real_cost = -156.911 Pmodeller6_TS1 costs 0 real_cost = -153.137 Phyre-2_TS5-scwrl costs 0 real_cost = -95.3936 Phyre-2_TS5 costs 0 real_cost = -95.9015 Phyre-2_TS4-scwrl costs 0 real_cost = -104.097 Phyre-2_TS4 costs 0 real_cost = -107.509 Phyre-2_TS3-scwrl costs 0 real_cost = -104.097 Phyre-2_TS3 costs 0 real_cost = -107.509 Phyre-2_TS2-scwrl costs 0 real_cost = -104.097 Phyre-2_TS2 costs 0 real_cost = -107.509 Phyre-2_TS1-scwrl costs 0 real_cost = -101.594 Phyre-2_TS1 costs 0 real_cost = -102.101 Phyre-1_TS1-scwrl costs 0 real_cost = -87.4013 Phyre-1_TS1 costs 0 real_cost = -87.4013 Pcons6_TS5-scwrl costs 0 real_cost = -182.618 Pcons6_TS5 costs 0 real_cost = -182.618 Pcons6_TS4-scwrl costs 0 real_cost = -182.947 Pcons6_TS4 costs 0 real_cost = -182.947 Pcons6_TS3-scwrl costs 0 real_cost = -98.7612 Pcons6_TS3 costs 0 real_cost = -98.7612 Pcons6_TS2-scwrl costs 0 real_cost = -183.201 Pcons6_TS2 costs 0 real_cost = -184.911 Pcons6_TS1-scwrl costs 0 real_cost = -190.767 Pcons6_TS1 costs 0 real_cost = -194.223 PROTINFO_TS5-scwrl costs 0 real_cost = -150.07 PROTINFO_TS5 costs 0 real_cost = -150.081 PROTINFO_TS4-scwrl costs 0 real_cost = 156.707 PROTINFO_TS4 costs 0 real_cost = 166.934 PROTINFO_TS3-scwrl costs 0 real_cost = 181.678 PROTINFO_TS3 costs 0 real_cost = 182.001 PROTINFO_TS2-scwrl costs 0 real_cost = 170.537 PROTINFO_TS2 costs 0 real_cost = 168.03 PROTINFO_TS1-scwrl costs 0 real_cost = -120.23 PROTINFO_TS1 costs 0 real_cost = -110.894 PROTINFO-AB_TS5-scwrl costs 0 real_cost = 183.42 PROTINFO-AB_TS5 costs 0 real_cost = 181.029 PROTINFO-AB_TS4-scwrl costs 0 real_cost = 165.988 PROTINFO-AB_TS4 costs 0 real_cost = 158.733 PROTINFO-AB_TS3-scwrl costs 0 real_cost = 176.516 PROTINFO-AB_TS3 costs 0 real_cost = 183.085 PROTINFO-AB_TS2-scwrl costs 0 real_cost = 160.102 PROTINFO-AB_TS2 costs 0 real_cost = 160.923 PROTINFO-AB_TS1-scwrl costs 0 real_cost = 156.707 PROTINFO-AB_TS1 costs 0 real_cost = 166.934 NN_PUT_lab_TS1-scwrl costs 0 real_cost = -47.5544 NN_PUT_lab_TS1 costs 0 real_cost = -39.1012 MetaTasser_TS5-scwrl costs 0 real_cost = -63.8636 MetaTasser_TS5 costs 0 real_cost = -63.7173 MetaTasser_TS4-scwrl costs 0 real_cost = -34.2691 MetaTasser_TS4 costs 0 real_cost = -27.2065 MetaTasser_TS3-scwrl costs 0 real_cost = 91.2613 MetaTasser_TS3 costs 0 real_cost = 87.2016 MetaTasser_TS2-scwrl costs 0 real_cost = -159.884 MetaTasser_TS2 costs 0 real_cost = -164.524 MetaTasser_TS1-scwrl costs 0 real_cost = -176.979 MetaTasser_TS1 costs 0 real_cost = -172.34 Ma-OPUS-server_TS5-scwrl costs 0 real_cost = -39.3078 Ma-OPUS-server_TS5 costs 0 real_cost = -39.7099 Ma-OPUS-server_TS4-scwrl costs 0 real_cost = 127.383 Ma-OPUS-server_TS4 costs 0 real_cost = 125.179 Ma-OPUS-server_TS3-scwrl costs 0 real_cost = -83.926 Ma-OPUS-server_TS3 costs 0 real_cost = -70.8875 Ma-OPUS-server_TS2-scwrl costs 0 real_cost = -66.0991 Ma-OPUS-server_TS2 costs 0 real_cost = -53.9306 Ma-OPUS-server_TS1-scwrl costs 0 real_cost = 84.0232 Ma-OPUS-server_TS1 costs 0 real_cost = 87.9976 MIG_FROST_AL1-scwrl costs 0 real_cost = 223.906 MIG_FROST_AL1 costs 0 real_cost = 371.638 LOOPP_TS5-scwrl costs 0 real_cost = -149.391 LOOPP_TS5 costs 0 real_cost = -146.273 LOOPP_TS4-scwrl costs 0 real_cost = -151.638 LOOPP_TS4 costs 0 real_cost = -147.521 LOOPP_TS3-scwrl costs 0 real_cost = -141.607 LOOPP_TS3 costs 0 real_cost = -145.307 LOOPP_TS2-scwrl costs 0 real_cost = -162.387 LOOPP_TS2 costs 0 real_cost = -152.248 LOOPP_TS1-scwrl costs 0 real_cost = -47.5544 LOOPP_TS1 costs 0 real_cost = -39.1012 Huber-Torda-Server_TS5-scwrl costs 0 real_cost = 217.702 Huber-Torda-Server_TS5 costs 0 real_cost = 312.409 Huber-Torda-Server_TS4-scwrl costs 0 real_cost = 260.15 Huber-Torda-Server_TS4 costs 0 real_cost = 351.315 Huber-Torda-Server_TS3-scwrl costs 0 real_cost = 64.3681 Huber-Torda-Server_TS3 costs 0 real_cost = 117.239 Huber-Torda-Server_TS2-scwrl costs 0 real_cost = -130.893 Huber-Torda-Server_TS2 costs 0 real_cost = -9.66413 Huber-Torda-Server_TS1-scwrl costs 0 real_cost = -28.4736 Huber-Torda-Server_TS1 costs 0 real_cost = 72.5383 HHpred3_TS1-scwrl costs 0 real_cost = -164.354 HHpred3_TS1 costs 0 real_cost = -148.204 HHpred2_TS1-scwrl costs 0 real_cost = -164.354 HHpred2_TS1 costs 0 real_cost = -148.204 HHpred1_TS1-scwrl costs 0 real_cost = -111.23 HHpred1_TS1 costs 0 real_cost = -103.588 GeneSilicoMetaServer_TS5-scwrl costs 0 real_cost = -16.2482 GeneSilicoMetaServer_TS5 costs 0 real_cost = -4.10618 GeneSilicoMetaServer_TS4-scwrl costs 0 real_cost = 9.16266 GeneSilicoMetaServer_TS4 costs 0 real_cost = 7.72238 GeneSilicoMetaServer_TS3-scwrl costs 0 real_cost = -106.677 GeneSilicoMetaServer_TS3 costs 0 real_cost = -102.111 GeneSilicoMetaServer_TS2-scwrl costs 0 real_cost = -68.7386 GeneSilicoMetaServer_TS2 costs 0 real_cost = -59.795 GeneSilicoMetaServer_TS1-scwrl costs 0 real_cost = -118.717 GeneSilicoMetaServer_TS1 costs 0 real_cost = -108.699 FUNCTION_TS5-scwrl costs 0 real_cost = -93.9753 FUNCTION_TS5 costs 0 real_cost = -86.5082 FUNCTION_TS4-scwrl costs 0 real_cost = -47.1744 FUNCTION_TS4 costs 0 real_cost = -36.8974 FUNCTION_TS3-scwrl costs 0 real_cost = -20.6667 FUNCTION_TS3 costs 0 real_cost = -21.9877 FUNCTION_TS2-scwrl costs 0 real_cost = -104.846 FUNCTION_TS2 costs 0 real_cost = -91.7216 FUNCTION_TS1-scwrl costs 0 real_cost = -102.263 FUNCTION_TS1 costs 0 real_cost = -94.2992 FUGUE_AL5-scwrl costs 0 real_cost = 225.091 FUGUE_AL5 costs 0 real_cost = 361.986 FUGUE_AL4-scwrl costs 0 real_cost = 437.015 FUGUE_AL4 costs 0 real_cost = 554.568 FUGUE_AL3-scwrl costs 0 real_cost = -23.7558 FUGUE_AL3 costs 0 real_cost = 94.7145 FUGUE_AL2-scwrl costs 0 real_cost = -17.6267 FUGUE_AL2 costs 0 real_cost = 143.262 FUGUE_AL1-scwrl costs 0 real_cost = -74.8822 FUGUE_AL1 costs 0 real_cost = 66.7515 FUGMOD_TS5-scwrl costs 0 real_cost = 215.311 FUGMOD_TS5 costs 0 real_cost = 213.403 FUGMOD_TS4-scwrl costs 0 real_cost = 403.536 FUGMOD_TS4 costs 0 real_cost = 414.912 FUGMOD_TS3-scwrl costs 0 real_cost = -18.9866 FUGMOD_TS3 costs 0 real_cost = -19.5932 FUGMOD_TS2-scwrl costs 0 real_cost = -54.0423 FUGMOD_TS2 costs 0 real_cost = -53.0012 FUGMOD_TS1-scwrl costs 0 real_cost = -85.5708 FUGMOD_TS1 costs 0 real_cost = -71.8928 FPSOLVER-SERVER_TS5-scwrl costs 0 real_cost = 168.242 FPSOLVER-SERVER_TS5 costs 0 real_cost = 173.573 FPSOLVER-SERVER_TS4-scwrl costs 0 real_cost = 164.857 FPSOLVER-SERVER_TS4 costs 0 real_cost = 167.706 FPSOLVER-SERVER_TS3-scwrl costs 0 real_cost = 152.687 FPSOLVER-SERVER_TS3 costs 0 real_cost = 152.107 FPSOLVER-SERVER_TS2-scwrl costs 0 real_cost = 161.85 FPSOLVER-SERVER_TS2 costs 0 real_cost = 165.851 FPSOLVER-SERVER_TS1-scwrl costs 0 real_cost = 166.395 FPSOLVER-SERVER_TS1 costs 0 real_cost = 166.377 FORTE2_AL5-scwrl costs 0 real_cost = 0.78437 FORTE2_AL5 costs 0 real_cost = 151.741 FORTE2_AL4-scwrl costs 0 real_cost = 210.901 FORTE2_AL4 costs 0 real_cost = 368.019 FORTE2_AL3-scwrl costs 0 real_cost = 172.551 FORTE2_AL3 costs 0 real_cost = 342.212 FORTE2_AL2-scwrl costs 0 real_cost = 9.93659 FORTE2_AL2 costs 0 real_cost = 149.86 FORTE2_AL1-scwrl costs 0 real_cost = -61.0694 FORTE2_AL1 costs 0 real_cost = 95.6126 FORTE1_AL5-scwrl costs 0 real_cost = 10.7844 FORTE1_AL5 costs 0 real_cost = 161.741 FORTE1_AL4-scwrl costs 0 real_cost = 201.439 FORTE1_AL4 costs 0 real_cost = 367.675 FORTE1_AL3-scwrl costs 0 real_cost = 9.93659 FORTE1_AL3 costs 0 real_cost = 149.86 FORTE1_AL2-scwrl costs 0 real_cost = 176.954 FORTE1_AL2 costs 0 real_cost = 339.83 FORTE1_AL1-scwrl costs 0 real_cost = -61.8694 FORTE1_AL1 costs 0 real_cost = 95.6126 FOLDpro_TS5-scwrl costs 0 real_cost = 215.67 FOLDpro_TS5 costs 0 real_cost = 223.424 FOLDpro_TS4-scwrl costs 0 real_cost = 215.029 FOLDpro_TS4 costs 0 real_cost = 223.555 FOLDpro_TS3-scwrl costs 0 real_cost = 210.498 FOLDpro_TS3 costs 0 real_cost = 211.382 FOLDpro_TS2-scwrl costs 0 real_cost = 252.247 FOLDpro_TS2 costs 0 real_cost = 256.005 FOLDpro_TS1-scwrl costs 0 real_cost = -201.658 FOLDpro_TS1 costs 0 real_cost = -182.521 FAMS_TS5-scwrl costs 0 real_cost = -104.846 FAMS_TS5 costs 0 real_cost = -91.7216 FAMS_TS4-scwrl costs 0 real_cost = -79.3264 FAMS_TS4 costs 0 real_cost = -67.2285 FAMS_TS3-scwrl costs 0 real_cost = -79.3264 FAMS_TS3 costs 0 real_cost = -67.2285 FAMS_TS2-scwrl costs 0 real_cost = -103.823 FAMS_TS2 costs 0 real_cost = -85.5736 FAMS_TS1-scwrl costs 0 real_cost = -90.7226 FAMS_TS1 costs 0 real_cost = -73.7184 FAMSD_TS5-scwrl costs 0 real_cost = -90.3418 FAMSD_TS5 costs 0 real_cost = -77.3785 FAMSD_TS4-scwrl costs 0 real_cost = -79.3264 FAMSD_TS4 costs 0 real_cost = -67.2285 FAMSD_TS3-scwrl costs 0 real_cost = -74.0728 FAMSD_TS3 costs 0 real_cost = -70.0349 FAMSD_TS2-scwrl costs 0 real_cost = -94.119 FAMSD_TS2 costs 0 real_cost = -78.7048 FAMSD_TS1-scwrl costs 0 real_cost = -103.823 FAMSD_TS1 costs 0 real_cost = -85.5736 Distill_TS5-scwrl costs 0 real_cost = 466.679 Distill_TS4-scwrl costs 0 real_cost = 361.622 Distill_TS3-scwrl costs 0 real_cost = 436.797 Distill_TS2-scwrl costs 0 real_cost = 460.905 Distill_TS1-scwrl costs 0 real_cost = 382.275 CaspIta-FOX_TS5-scwrl costs 0 real_cost = 3.8043 CaspIta-FOX_TS5 costs 0 real_cost = 2.15384 CaspIta-FOX_TS4-scwrl costs 0 real_cost = 191.077 CaspIta-FOX_TS4 costs 0 real_cost = 191.139 CaspIta-FOX_TS3-scwrl costs 0 real_cost = -37.85 CaspIta-FOX_TS3 costs 0 real_cost = -40.2212 CaspIta-FOX_TS2-scwrl costs 0 real_cost = -18.8179 CaspIta-FOX_TS2 costs 0 real_cost = -22.9338 CaspIta-FOX_TS1-scwrl costs 0 real_cost = -105.776 CaspIta-FOX_TS1 costs 0 real_cost = -108.068 CPHmodels_TS1-scwrl costs 0 real_cost = 332.503 CPHmodels_TS1 costs 0 real_cost = 352.92 CIRCLE_TS5-scwrl costs 0 real_cost = -74.0728 CIRCLE_TS5 costs 0 real_cost = -70.0349 CIRCLE_TS4-scwrl costs 0 real_cost = -79.3264 CIRCLE_TS4 costs 0 real_cost = -67.2285 CIRCLE_TS3-scwrl costs 0 real_cost = -104.846 CIRCLE_TS3 costs 0 real_cost = -91.7216 CIRCLE_TS2-scwrl costs 0 real_cost = -102.263 CIRCLE_TS2 costs 0 real_cost = -94.2992 CIRCLE_TS1-scwrl costs 0 real_cost = -103.823 CIRCLE_TS1 costs 0 real_cost = -85.5736 Bilab-ENABLE_TS5-scwrl costs 0 real_cost = -62.6708 Bilab-ENABLE_TS5 costs 0 real_cost = -62.6765 Bilab-ENABLE_TS4-scwrl costs 0 real_cost = 74.8089 Bilab-ENABLE_TS4 costs 0 real_cost = 74.8089 Bilab-ENABLE_TS3-scwrl costs 0 real_cost = -99.3096 Bilab-ENABLE_TS3 costs 0 real_cost = -100.737 Bilab-ENABLE_TS2-scwrl costs 0 real_cost = -43.3066 Bilab-ENABLE_TS2 costs 0 real_cost = -43.3066 Bilab-ENABLE_TS1-scwrl costs 0 real_cost = -58.963 Bilab-ENABLE_TS1 costs 0 real_cost = -58.963 BayesHH_TS1-scwrl costs 0 real_cost = -134.712 BayesHH_TS1 costs 0 real_cost = -134.886 ABIpro_TS5-scwrl costs 0 real_cost = 104.14 ABIpro_TS5 costs 0 real_cost = 104.14 ABIpro_TS4-scwrl costs 0 real_cost = 39.1933 ABIpro_TS4 costs 0 real_cost = 39.1933 ABIpro_TS3-scwrl costs 0 real_cost = 100.884 ABIpro_TS3 costs 0 real_cost = 100.884 ABIpro_TS2-scwrl costs 0 real_cost = 114.375 ABIpro_TS2 costs 0 real_cost = 114.046 ABIpro_TS1-scwrl costs 0 real_cost = 84.8647 ABIpro_TS1 costs 0 real_cost = 84.8647 3Dpro_TS5-scwrl costs 0 real_cost = 215.783 3Dpro_TS5 costs 0 real_cost = 211.97 3Dpro_TS4-scwrl costs 0 real_cost = 184.923 3Dpro_TS4 costs 0 real_cost = 191.62 3Dpro_TS3-scwrl costs 0 real_cost = 232.135 3Dpro_TS3 costs 0 real_cost = 219.768 3Dpro_TS2-scwrl costs 0 real_cost = 228.598 3Dpro_TS2 costs 0 real_cost = 241.593 3Dpro_TS1-scwrl costs 0 real_cost = -170.766 3Dpro_TS1 costs 0 real_cost = -161.101 3D-JIGSAW_TS5-scwrl costs 0 real_cost = 211.186 3D-JIGSAW_TS5 costs 0 real_cost = 203.819 3D-JIGSAW_TS4-scwrl costs 0 real_cost = 76.2001 3D-JIGSAW_TS4 costs 0 real_cost = 88.2797 3D-JIGSAW_TS3-scwrl costs 0 real_cost = 124.997 3D-JIGSAW_TS3 costs 0 real_cost = 123.211 3D-JIGSAW_TS2-scwrl costs 0 real_cost = 120.922 3D-JIGSAW_TS2 costs 0 real_cost = 119.449 3D-JIGSAW_TS1-scwrl costs 0 real_cost = 250.123 3D-JIGSAW_TS1 costs 0 real_cost = 247.488 3D-JIGSAW_RECOM_TS5-scwrl costs 0 real_cost = -41.6222 3D-JIGSAW_RECOM_TS5 costs 0 real_cost = -46.6169 3D-JIGSAW_RECOM_TS4-scwrl costs 0 real_cost = -29.8426 3D-JIGSAW_RECOM_TS4 costs 0 real_cost = -34.6132 3D-JIGSAW_RECOM_TS3-scwrl costs 0 real_cost = -20.476 3D-JIGSAW_RECOM_TS3 costs 0 real_cost = -24.505 3D-JIGSAW_RECOM_TS2-scwrl costs 0 real_cost = -31.0591 3D-JIGSAW_RECOM_TS2 costs 0 real_cost = -34.6687 3D-JIGSAW_RECOM_TS1-scwrl costs 0 real_cost = 47.2613 3D-JIGSAW_RECOM_TS1 costs 0 real_cost = 43.3562 3D-JIGSAW_POPULUS_TS5-scwrl costs 0 real_cost = -34.0231 3D-JIGSAW_POPULUS_TS5 costs 0 real_cost = -37.8231 3D-JIGSAW_POPULUS_TS4-scwrl costs 0 real_cost = -20.2729 3D-JIGSAW_POPULUS_TS4 costs 0 real_cost = -24.0729 3D-JIGSAW_POPULUS_TS3-scwrl costs 0 real_cost = 3.50415 3D-JIGSAW_POPULUS_TS3 costs 0 real_cost = -0.287238 3D-JIGSAW_POPULUS_TS2-scwrl costs 0 real_cost = 8.58742 3D-JIGSAW_POPULUS_TS2 costs 0 real_cost = 4.78603 3D-JIGSAW_POPULUS_TS1-scwrl costs 0 real_cost = 17.3626 3D-JIGSAW_POPULUS_TS1 costs 0 real_cost = 13.5626 chimera2.pdb.gz costs 0 real_cost = -50.88 chimera1.pdb.gz costs 0 real_cost = -58.1077 T0303.try9-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -47.7024 T0303.try9-opt2.pdb.gz costs 0 real_cost = -48.6309 T0303.try9-opt2.gromacs0.pdb.gz costs 0 real_cost = -49.6745 T0303.try9-opt1.pdb.gz costs 0 real_cost = -52.9439 T0303.try9-opt1-scwrl.pdb.gz costs 0 real_cost = -50.677 T0303.try8-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -57.208 T0303.try8-opt2.pdb.gz costs 0 real_cost = -58.1111 T0303.try8-opt2.gromacs0.pdb.gz costs 0 real_cost = -62.1578 T0303.try8-opt1.pdb.gz costs 0 real_cost = -52.1225 T0303.try8-opt1-scwrl.pdb.gz costs 0 real_cost = -52.3732 T0303.try7-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -49.2501 T0303.try7-opt2.pdb.gz costs 0 real_cost = -51.8735 T0303.try7-opt2.gromacs0.pdb.gz costs 0 real_cost = -51.0674 T0303.try7-opt1.pdb.gz costs 0 real_cost = -53.8637 T0303.try7-opt1-scwrl.pdb.gz costs 0 real_cost = -53.5373 T0303.try6-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 72.34 T0303.try6-opt2.pdb.gz costs 0 real_cost = 74.3363 T0303.try6-opt2.gromacs0.pdb.gz costs 0 real_cost = 73.7431 T0303.try6-opt1.pdb.gz costs 0 real_cost = 66.9842 T0303.try6-opt1-scwrl.pdb.gz costs 0 real_cost = 67.5947 T0303.try5-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 157.729 T0303.try5-opt2.pdb.gz costs 0 real_cost = 155.028 T0303.try5-opt2.gromacs0.pdb.gz costs 0 real_cost = 163.696 T0303.try5-opt1.pdb.gz costs 0 real_cost = 155.758 T0303.try5-opt1-scwrl.pdb.gz costs 0 real_cost = 155.163 T0303.try4-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 160.436 T0303.try4-opt2.pdb.gz costs 0 real_cost = 158.218 T0303.try4-opt2.gromacs0.pdb.gz costs 0 real_cost = 164.508 T0303.try4-opt1.pdb.gz costs 0 real_cost = 157.101 T0303.try4-opt1-scwrl.pdb.gz costs 0 real_cost = 157.098 T0303.try3-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -146.064 T0303.try3-opt2.pdb.gz costs 0 real_cost = -147.281 T0303.try3-opt2.gromacs0.pdb.gz costs 0 real_cost = -143.504 T0303.try3-opt1.pdb.gz costs 0 real_cost = -150.942 T0303.try3-opt1-scwrl.pdb.gz costs 0 real_cost = -149.127 T0303.try2-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 152.463 T0303.try2-opt2.pdb.gz costs 0 real_cost = 150.735 T0303.try2-opt2.gromacs0.pdb.gz costs 0 real_cost = 155.859 T0303.try2-opt1.pdb.gz costs 0 real_cost = 152.208 T0303.try2-opt1-scwrl.pdb.gz costs 0 real_cost = 153.427 T0303.try17-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -67.6593 T0303.try17-opt2.pdb.gz costs 0 real_cost = -63.9474 T0303.try17-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = -63.0802 T0303.try17-opt2.gromacs0.pdb.gz costs 0 real_cost = -61.9415 T0303.try17-opt1.pdb.gz costs 0 real_cost = -62.4581 T0303.try17-opt1-scwrl.pdb.gz costs 0 real_cost = -62.2629 T0303.try16-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -44.3543 T0303.try16-opt2.pdb.gz costs 0 real_cost = -46.6459 T0303.try16-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = -45.179 T0303.try16-opt2.gromacs0.pdb.gz costs 0 real_cost = -48.1122 T0303.try16-opt1.pdb.gz costs 0 real_cost = -49.2965 T0303.try16-opt1-scwrl.pdb.gz costs 0 real_cost = -51.2844 T0303.try15-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -166.398 T0303.try15-opt2.pdb.gz costs 0 real_cost = -160.086 T0303.try15-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = -166.609 T0303.try15-opt2.gromacs0.pdb.gz costs 0 real_cost = -162.606 T0303.try15-opt1.pdb.gz costs 0 real_cost = -161.374 T0303.try15-opt1-scwrl.pdb.gz costs 0 real_cost = -160.183 T0303.try14-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -104.925 T0303.try14-opt2.pdb.gz costs 0 real_cost = -102.713 T0303.try14-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = -103.68 T0303.try14-opt2.gromacs0.pdb.gz costs 0 real_cost = -103.378 T0303.try14-opt1.pdb.gz costs 0 real_cost = -99.6563 T0303.try14-opt1-scwrl.pdb.gz costs 0 real_cost = -100.655 T0303.try13-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -185.268 T0303.try13-opt2.pdb.gz costs 0 real_cost = -184.605 T0303.try13-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = -178.241 T0303.try13-opt2.gromacs0.pdb.gz costs 0 real_cost = -177.76 T0303.try13-opt1.pdb.gz costs 0 real_cost = -180.301 T0303.try13-opt1-scwrl.pdb.gz costs 0 real_cost = -184.042 T0303.try12-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -171.927 T0303.try12-opt2.pdb.gz costs 0 real_cost = -169.621 T0303.try12-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = -175.781 T0303.try12-opt2.gromacs0.pdb.gz costs 0 real_cost = -168.341 T0303.try12-opt1.pdb.gz costs 0 real_cost = -167.021 T0303.try12-opt1-scwrl.pdb.gz costs 0 real_cost = -164.59 T0303.try11-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 158.91 T0303.try11-opt2.pdb.gz costs 0 real_cost = 159.164 T0303.try11-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = 162.165 T0303.try11-opt2.gromacs0.pdb.gz costs 0 real_cost = 163.729 T0303.try11-opt1.pdb.gz costs 0 real_cost = 159.175 T0303.try11-opt1-scwrl.pdb.gz costs 0 real_cost = 159.26 T0303.try10-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -60.0336 T0303.try10-opt2.pdb.gz costs 0 real_cost = -55.4243 T0303.try10-opt2.gromacs0.pdb.gz costs 0 real_cost = -61.1094 T0303.try10-opt1.pdb.gz costs 0 real_cost = -55.4418 T0303.try10-opt1-scwrl.pdb.gz costs 0 real_cost = -56.5942 T0303.try1-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 156.87 T0303.try1-opt2.pdb.gz costs 0 real_cost = 153.493 T0303.try1-opt1.pdb.gz costs 0 real_cost = 153.589 T0303.try1-opt1-scwrl.pdb.gz costs 0 real_cost = 154.466 ../model5.ts-submitted costs 0 real_cost = -70.8107 ../model4.ts-submitted costs 0 real_cost = 158.228 ../model3.ts-submitted costs 0 real_cost = -147.299 ../model2.ts-submitted costs 0 real_cost = -55.4146 ../model1.ts-submitted costs 0 real_cost = -48.6502 align5 costs 0 real_cost = 90.055 align4 costs 0 real_cost = -40.368 align3 costs 0 real_cost = 32.2149 align2 costs 0 real_cost = -28.3868 align1 costs 0 real_cost = -81.5063 T0303.try1-opt2.pdb costs 0 real_cost = 153.494 model5-scwrl costs 0 real_cost = -50.1542 model5.ts-submitted costs 0 real_cost = -70.8107 model4-scwrl costs 0 real_cost = 158.105 model4.ts-submitted costs 0 real_cost = 158.228 model3-scwrl costs 0 real_cost = -152.613 model3.ts-submitted costs 0 real_cost = -147.299 model2-scwrl costs 0 real_cost = -57.7912 model2.ts-submitted costs 0 real_cost = -55.4146 model1-scwrl costs 0 real_cost = -48.3133 model1.ts-submitted costs 0 real_cost = -48.655 T0303_2.real.pdb costs 0 real_cost = -662.2 # command:CPU_time= 155.668 sec, elapsed time= 442.09 sec) # command:rm -f sort.tmp /projects/compbio/bin/sorttbl real_cost < decoys/evaluate_2.rdb > sort.tmp mv -f sort.tmp decoys/evaluate_2.rdb mv -f decoys/evaluate_2.pretty decoys/evaluate_2.pretty.old mv: cannot stat `decoys/evaluate_2.pretty': No such file or directory make: [decoys/evaluate_2.pretty] Error 1 (ignored) /projects/compbio/experiments/protein-predict/casp7/scripts/prettyscore -terse -targpfx -decpoint < decoys/evaluate_2.rdb > decoys/evaluate_2.pretty