/projects/compbio/experiments/protein-predict/casp7/starter-directory/Make.main:725: SECONDARY_TARGET = T0310.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/T0310.} ;\ 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/T0310/ -e s/START_COL/1/ \ -e s/REAL_PDB/2h5gA/ \ -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 1174745544 # 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= 4.6223 sec, elapsed time= 4.69454 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= 4.68529 sec, elapsed time= 4.77134 sec) # command:# Prefix for input files set to # command:# Making conformation for sequence T0310 numbered 1 through 425 Created new target T0310 from T0310.a2m # command:# command:# No conformations to remove in PopConform # command:# cleared Id set # command:# command:2h5gA expands to /projects/compbio/data/pdb/2h5g.pdb.gz 2h5gA: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 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 216, because occupancy 5.0000000e-01 <= existing 0.500 in 2h5gA Skipped atom 218, because occupancy 0.500 <= existing 0.500 in 2h5gA Skipped atom 220, because occupancy 0.500 <= existing 0.500 in 2h5gA Skipped atom 222, because occupancy 0.500 <= existing 0.500 in 2h5gA Skipped atom 224, because occupancy 0.500 <= existing 0.500 in 2h5gA Skipped atom 226, because occupancy 0.500 <= existing 0.500 in 2h5gA 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 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 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 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 2312, because occupancy 0.500 <= existing 0.500 in 2h5gA Skipped atom 2314, because occupancy 0.500 <= existing 0.500 in 2h5gA Skipped atom 2316, because occupancy 0.500 <= existing 0.500 in 2h5gA Skipped atom 2318, because occupancy 0.500 <= existing 0.500 in 2h5gA Skipped atom 2320, because occupancy 0.500 <= existing 0.500 in 2h5gA Skipped atom 2322, because occupancy 0.500 <= existing 0.500 in 2h5gA Skipped atom 2767, because occupancy 0.500 <= existing 0.500 in 2h5gA Skipped atom 2769, because occupancy 0.500 <= existing 0.500 in 2h5gA Skipped atom 2771, because occupancy 0.500 <= existing 0.500 in 2h5gA Skipped atom 2773, because occupancy 0.500 <= existing 0.500 in 2h5gA Skipped atom 2775, because occupancy 0.500 <= existing 0.500 in 2h5gA Skipped atom 2777, because occupancy 0.500 <= existing 0.500 in 2h5gA Skipped atom 2779, because occupancy 0.500 <= existing 0.500 in 2h5gA Skipped atom 2781, because occupancy 0.500 <= existing 0.500 in 2h5gA Skipped atom 2783, because occupancy 0.500 <= existing 0.500 in 2h5gA Skipped atom 2785, because occupancy 0.500 <= existing 0.500 in 2h5gA Read 417 residues and 3122 atoms. # WARNING: incomplete conformation T0310 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= 6.66499 sec, elapsed time= 6.82285 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 409 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -54.9279 # GDT_score(maxd=8,maxw=2.9)= -55.2199 # GDT_score(maxd=8,maxw=3.2)= -52.1794 # GDT_score(maxd=8,maxw=3.5)= -49.2416 # GDT_score(maxd=10,maxw=3.8)= -53.3536 # GDT_score(maxd=10,maxw=4)= -51.4367 # GDT_score(maxd=10,maxw=4.2)= -49.5986 # GDT_score(maxd=12,maxw=4.3)= -53.8746 # GDT_score(maxd=12,maxw=4.5)= -52.0343 # GDT_score(maxd=12,maxw=4.7)= -50.2712 # GDT_score(maxd=14,maxw=5.2)= -50.0571 # GDT_score(maxd=14,maxw=5.5)= -47.6831 # command:# Prefix for output files set to # command:superimposing iter= 0 total_weight= 4779.000 rmsd (weighted)= 8.329 (unweighted)= 30.879 superimposing iter= 1 total_weight= 16847.902 rmsd (weighted)= 3.116 (unweighted)= 31.085 superimposing iter= 2 total_weight= 5777.421 rmsd (weighted)= 2.242 (unweighted)= 31.137 superimposing iter= 3 total_weight= 3670.873 rmsd (weighted)= 2.049 (unweighted)= 31.157 superimposing iter= 4 total_weight= 3221.363 rmsd (weighted)= 2.003 (unweighted)= 31.168 superimposing iter= 5 total_weight= 3125.380 rmsd (weighted)= 1.989 (unweighted)= 31.173 # command:# Prefix for output files set to decoys/ # command:# request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_391597637.pdb -s /var/tmp/to_scwrl_391597637.seq -o /var/tmp/from_scwrl_391597637.pdb > /var/tmp/scwrl_391597637.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_391597637.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 420 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -56.3101 # GDT_score(maxd=8,maxw=2.9)= -56.9492 # GDT_score(maxd=8,maxw=3.2)= -53.7348 # GDT_score(maxd=8,maxw=3.5)= -50.6983 # GDT_score(maxd=10,maxw=3.8)= -54.7138 # GDT_score(maxd=10,maxw=4)= -52.7325 # GDT_score(maxd=10,maxw=4.2)= -50.8557 # GDT_score(maxd=12,maxw=4.3)= -55.0809 # GDT_score(maxd=12,maxw=4.5)= -53.2085 # GDT_score(maxd=12,maxw=4.7)= -51.4053 # GDT_score(maxd=14,maxw=5.2)= -51.1016 # GDT_score(maxd=14,maxw=5.5)= -48.7007 # command:# request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_972591736.pdb -s /var/tmp/to_scwrl_972591736.seq -o /var/tmp/from_scwrl_972591736.pdb > /var/tmp/scwrl_972591736.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_972591736.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 420 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -56.3702 # GDT_score(maxd=8,maxw=2.9)= -57.8628 # GDT_score(maxd=8,maxw=3.2)= -54.5808 # GDT_score(maxd=8,maxw=3.5)= -51.4178 # GDT_score(maxd=10,maxw=3.8)= -55.2141 # GDT_score(maxd=10,maxw=4)= -53.1944 # GDT_score(maxd=10,maxw=4.2)= -51.293 # GDT_score(maxd=12,maxw=4.3)= -55.3709 # GDT_score(maxd=12,maxw=4.5)= -53.4811 # GDT_score(maxd=12,maxw=4.7)= -51.6553 # GDT_score(maxd=14,maxw=5.2)= -51.2069 # GDT_score(maxd=14,maxw=5.5)= -48.7928 # command:# request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_1404325511.pdb -s /var/tmp/to_scwrl_1404325511.seq -o /var/tmp/from_scwrl_1404325511.pdb > /var/tmp/scwrl_1404325511.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1404325511.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 420 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -56.6106 # GDT_score(maxd=8,maxw=2.9)= -58.3002 # GDT_score(maxd=8,maxw=3.2)= -54.9714 # GDT_score(maxd=8,maxw=3.5)= -51.8328 # GDT_score(maxd=10,maxw=3.8)= -55.5817 # GDT_score(maxd=10,maxw=4)= -53.5708 # GDT_score(maxd=10,maxw=4.2)= -51.6564 # GDT_score(maxd=12,maxw=4.3)= -55.726 # GDT_score(maxd=12,maxw=4.5)= -53.824 # GDT_score(maxd=12,maxw=4.7)= -51.9964 # GDT_score(maxd=14,maxw=5.2)= -51.5366 # GDT_score(maxd=14,maxw=5.5)= -49.1059 # command:# request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_136232322.pdb -s /var/tmp/to_scwrl_136232322.seq -o /var/tmp/from_scwrl_136232322.pdb > /var/tmp/scwrl_136232322.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_136232322.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 # Found a chain break before 420 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -56.0096 # GDT_score(maxd=8,maxw=2.9)= -57.5503 # GDT_score(maxd=8,maxw=3.2)= -54.2939 # GDT_score(maxd=8,maxw=3.5)= -51.2491 # GDT_score(maxd=10,maxw=3.8)= -55.1393 # GDT_score(maxd=10,maxw=4)= -53.1862 # GDT_score(maxd=10,maxw=4.2)= -51.2791 # GDT_score(maxd=12,maxw=4.3)= -55.4377 # GDT_score(maxd=12,maxw=4.5)= -53.5311 # GDT_score(maxd=12,maxw=4.7)= -51.6863 # GDT_score(maxd=14,maxw=5.2)= -51.2659 # GDT_score(maxd=14,maxw=5.5)= -48.8298 # command:# request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_1888678570.pdb -s /var/tmp/to_scwrl_1888678570.seq -o /var/tmp/from_scwrl_1888678570.pdb > /var/tmp/scwrl_1888678570.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1888678570.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 T0310.try1-opt2.pdb looking for model 1 # Found a chain break before 420 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -55.9495 # GDT_score(maxd=8,maxw=2.9)= -57.0976 # GDT_score(maxd=8,maxw=3.2)= -53.9153 # GDT_score(maxd=8,maxw=3.5)= -50.9442 # GDT_score(maxd=10,maxw=3.8)= -54.8456 # GDT_score(maxd=10,maxw=4)= -52.937 # GDT_score(maxd=10,maxw=4.2)= -51.0645 # GDT_score(maxd=12,maxw=4.3)= -55.2074 # GDT_score(maxd=12,maxw=4.5)= -53.3334 # GDT_score(maxd=12,maxw=4.7)= -51.524 # GDT_score(maxd=14,maxw=5.2)= -51.1248 # GDT_score(maxd=14,maxw=5.5)= -48.7194 # command:# Prefix for output files set to # command:superimposing iter= 0 total_weight= 4779.000 rmsd (weighted)= 6.630 (unweighted)= 30.612 superimposing iter= 1 total_weight= 13900.500 rmsd (weighted)= 2.831 (unweighted)= 30.777 superimposing iter= 2 total_weight= 5208.267 rmsd (weighted)= 2.171 (unweighted)= 30.797 superimposing iter= 3 total_weight= 3437.402 rmsd (weighted)= 2.061 (unweighted)= 30.801 superimposing iter= 4 total_weight= 3214.198 rmsd (weighted)= 2.023 (unweighted)= 30.801 superimposing iter= 5 total_weight= 3166.047 rmsd (weighted)= 2.002 (unweighted)= 30.798 # command:# Prefix for output files set to decoys/ # command:# Prefix for input files set to # command:# ReadConformPDB reading from PDB file T0310.undertaker-align.pdb looking for model 1 WARNING: atoms too close: (T0310)K204.C and (T0310)A205.C only 0.000 apart, marking (T0310)A205.C as missing WARNING: atoms too close: (T0310)A205.N and (T0310)A206.N only 0.000 apart, marking (T0310)A205.N as missing WARNING: atoms too close: (T0310)A205.CA and (T0310)A206.CA only 0.000 apart, marking (T0310)A205.CA as missing # WARNING: incomplete conformation T0310 can't currently be optimized by undertaker # command:# naming current conformation align1 # command:# fraction of real conformation used = 0.891827 # GDT_score = -58.5337 # GDT_score(maxd=8,maxw=2.9)= -59.6898 # GDT_score(maxd=8,maxw=3.2)= -56.7221 # GDT_score(maxd=8,maxw=3.5)= -53.8769 # GDT_score(maxd=10,maxw=3.8)= -56.9743 # GDT_score(maxd=10,maxw=4)= -55.1422 # GDT_score(maxd=10,maxw=4.2)= -53.3625 # GDT_score(maxd=12,maxw=4.3)= -56.8997 # GDT_score(maxd=12,maxw=4.5)= -55.1409 # GDT_score(maxd=12,maxw=4.7)= -53.4471 # GDT_score(maxd=14,maxw=5.2)= -52.7903 # GDT_score(maxd=14,maxw=5.5)= -50.4069 # command:# ReadConformPDB reading from PDB file T0310.undertaker-align.pdb looking for model 2 WARNING: atoms too close: (T0310)A53.C and (T0310)R64.C only 0.000 apart, marking (T0310)R64.C as missing WARNING: atoms too close: (T0310)E54.N and (T0310)L65.N only 0.000 apart, marking (T0310)E54.N as missing WARNING: atoms too close: (T0310)E54.CA and (T0310)L65.CA only 0.000 apart, marking (T0310)E54.CA as missing WARNING: atoms too close: (T0310)R96.C and (T0310)T97.C only 0.000 apart, marking (T0310)T97.C as missing WARNING: atoms too close: (T0310)T97.N and (T0310)R98.N only 0.000 apart, marking (T0310)T97.N as missing WARNING: atoms too close: (T0310)T97.CA and (T0310)R98.CA only 0.000 apart, marking (T0310)T97.CA as missing WARNING: atoms too close: (T0310)A162.C and (T0310)H166.C only 0.000 apart, marking (T0310)H166.C as missing WARNING: atoms too close: (T0310)L163.N and (T0310)G167.N only 0.000 apart, marking (T0310)L163.N as missing WARNING: atoms too close: (T0310)L163.CA and (T0310)G167.CA only 0.000 apart, marking (T0310)L163.CA as missing WARNING: atoms too close: (T0310)S215.C and (T0310)E216.C only 0.000 apart, marking (T0310)E216.C as missing WARNING: atoms too close: (T0310)E216.N and (T0310)G217.N only 0.000 apart, marking (T0310)E216.N as missing WARNING: atoms too close: (T0310)E216.CA and (T0310)G217.CA only 0.000 apart, marking (T0310)E216.CA as missing WARNING: atoms too close: (T0310)R261.C and (T0310)T262.C only 0.000 apart, marking (T0310)T262.C as missing WARNING: atoms too close: (T0310)T262.N and (T0310)P263.N only 0.000 apart, marking (T0310)T262.N as missing WARNING: atoms too close: (T0310)T262.CA and (T0310)P263.CA only 0.000 apart, marking (T0310)T262.CA as missing # WARNING: incomplete conformation T0310 can't currently be optimized by undertaker # command:# naming current conformation align2 # command:# fraction of real conformation used = 0.853365 # GDT_score = -44.1106 # GDT_score(maxd=8,maxw=2.9)= -45.4284 # GDT_score(maxd=8,maxw=3.2)= -42.4271 # GDT_score(maxd=8,maxw=3.5)= -39.6833 # GDT_score(maxd=10,maxw=3.8)= -42.8766 # GDT_score(maxd=10,maxw=4)= -41.173 # GDT_score(maxd=10,maxw=4.2)= -39.581 # GDT_score(maxd=12,maxw=4.3)= -43.1177 # GDT_score(maxd=12,maxw=4.5)= -41.5357 # GDT_score(maxd=12,maxw=4.7)= -40.0408 # GDT_score(maxd=14,maxw=5.2)= -39.88 # GDT_score(maxd=14,maxw=5.5)= -37.935 # command:# ReadConformPDB reading from PDB file T0310.undertaker-align.pdb looking for model 3 WARNING: atoms too close: (T0310)A53.C and (T0310)R64.C only 0.000 apart, marking (T0310)R64.C as missing WARNING: atoms too close: (T0310)E54.N and (T0310)L65.N only 0.000 apart, marking (T0310)E54.N as missing WARNING: atoms too close: (T0310)E54.CA and (T0310)L65.CA only 0.000 apart, marking (T0310)E54.CA as missing WARNING: atoms too close: (T0310)R96.C and (T0310)R98.C only 0.000 apart, marking (T0310)R98.C as missing WARNING: atoms too close: (T0310)T97.N and (T0310)I99.N only 0.000 apart, marking (T0310)T97.N as missing WARNING: atoms too close: (T0310)T97.CA and (T0310)I99.CA only 0.000 apart, marking (T0310)T97.CA as missing WARNING: atoms too close: (T0310)R261.C and (T0310)T262.C only 0.000 apart, marking (T0310)T262.C as missing WARNING: atoms too close: (T0310)T262.N and (T0310)P263.N only 0.000 apart, marking (T0310)T262.N as missing WARNING: atoms too close: (T0310)T262.CA and (T0310)P263.CA only 0.000 apart, marking (T0310)T262.CA as missing # WARNING: incomplete conformation T0310 can't currently be optimized by undertaker # command:# naming current conformation align3 # command:# ReadConformPDB reading from PDB file T0310.undertaker-align.pdb looking for model 4 WARNING: atoms too close: (T0310)L44.C and (T0310)D49.C only 0.000 apart, marking (T0310)D49.C as missing WARNING: atoms too close: (T0310)A45.N and (T0310)L50.N only 0.000 apart, marking (T0310)A45.N as missing WARNING: atoms too close: (T0310)A45.CA and (T0310)L50.CA only 0.000 apart, marking (T0310)A45.CA as missing WARNING: atoms too close: (T0310)R56.C and (T0310)A58.C only 0.000 apart, marking (T0310)A58.C as missing WARNING: atoms too close: (T0310)L57.N and (T0310)A59.N only 0.000 apart, marking (T0310)L57.N as missing WARNING: atoms too close: (T0310)L57.CA and (T0310)A59.CA only 0.000 apart, marking (T0310)L57.CA as missing WARNING: atoms too close: (T0310)R64.C and (T0310)L67.C only 0.000 apart, marking (T0310)L67.C as missing WARNING: atoms too close: (T0310)L65.N and (T0310)S68.N only 0.000 apart, marking (T0310)L65.N as missing WARNING: atoms too close: (T0310)L65.CA and (T0310)S68.CA only 0.000 apart, marking (T0310)L65.CA as missing WARNING: atoms too close: (T0310)R96.C and (T0310)I99.C only 0.000 apart, marking (T0310)I99.C as missing WARNING: atoms too close: (T0310)T97.N and (T0310)A100.N only 0.000 apart, marking (T0310)T97.N as missing WARNING: atoms too close: (T0310)T97.CA and (T0310)A100.CA only 0.000 apart, marking (T0310)T97.CA as missing WARNING: atoms too close: (T0310)A162.C and (T0310)H166.C only 0.000 apart, marking (T0310)H166.C as missing WARNING: atoms too close: (T0310)L163.N and (T0310)G167.N only 0.000 apart, marking (T0310)L163.N as missing WARNING: atoms too close: (T0310)L163.CA and (T0310)G167.CA only 0.000 apart, marking (T0310)L163.CA as missing WARNING: atoms too close: (T0310)T262.C and (T0310)P263.C only 0.000 apart, marking (T0310)P263.C as missing WARNING: atoms too close: (T0310)P263.N and (T0310)L264.N only 0.000 apart, marking (T0310)P263.N as missing WARNING: atoms too close: (T0310)P263.CA and (T0310)L264.CA only 0.000 apart, marking (T0310)P263.CA as missing # WARNING: incomplete conformation T0310 can't currently be optimized by undertaker # command:# naming current conformation align4 # command:# ReadConformPDB reading from PDB file T0310.undertaker-align.pdb looking for model 5 WARNING: atoms too close: (T0310)L44.C and (T0310)D49.C only 0.000 apart, marking (T0310)D49.C as missing WARNING: atoms too close: (T0310)A45.N and (T0310)L50.N only 0.000 apart, marking (T0310)A45.N as missing WARNING: atoms too close: (T0310)A45.CA and (T0310)L50.CA only 0.000 apart, marking (T0310)A45.CA as missing WARNING: atoms too close: (T0310)R56.C and (T0310)A58.C only 0.000 apart, marking (T0310)A58.C as missing WARNING: atoms too close: (T0310)L57.N and (T0310)A59.N only 0.000 apart, marking (T0310)L57.N as missing WARNING: atoms too close: (T0310)L57.CA and (T0310)A59.CA only 0.000 apart, marking (T0310)L57.CA as missing WARNING: atoms too close: (T0310)K63.C and (T0310)L67.C only 0.000 apart, marking (T0310)L67.C as missing WARNING: atoms too close: (T0310)R64.N and (T0310)S68.N only 0.000 apart, marking (T0310)R64.N as missing WARNING: atoms too close: (T0310)R64.CA and (T0310)S68.CA only 0.000 apart, marking (T0310)R64.CA as missing WARNING: atoms too close: (T0310)T97.C and (T0310)I99.C only 0.000 apart, marking (T0310)I99.C as missing WARNING: atoms too close: (T0310)R98.N and (T0310)A100.N only 0.000 apart, marking (T0310)R98.N as missing WARNING: atoms too close: (T0310)R98.CA and (T0310)A100.CA only 0.000 apart, marking (T0310)R98.CA as missing WARNING: atoms too close: (T0310)A162.C and (T0310)H166.C only 0.000 apart, marking (T0310)H166.C as missing WARNING: atoms too close: (T0310)L163.N and (T0310)G167.N only 0.000 apart, marking (T0310)L163.N as missing WARNING: atoms too close: (T0310)L163.CA and (T0310)G167.CA only 0.000 apart, marking (T0310)L163.CA as missing WARNING: atoms too close: (T0310)T262.C and (T0310)P263.C only 0.000 apart, marking (T0310)P263.C as missing WARNING: atoms too close: (T0310)P263.N and (T0310)L264.N only 0.000 apart, marking (T0310)P263.N as missing WARNING: atoms too close: (T0310)P263.CA and (T0310)L264.CA only 0.000 apart, marking (T0310)P263.CA as missing WARNING: atoms too close: (T0310)R376.C and (T0310)R380.C only 0.000 apart, marking (T0310)R380.C as missing WARNING: atoms too close: (T0310)I377.N and (T0310)G381.N only 0.000 apart, marking (T0310)I377.N as missing WARNING: atoms too close: (T0310)I377.CA and (T0310)G381.CA only 0.000 apart, marking (T0310)I377.CA as missing # WARNING: incomplete conformation T0310 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 409 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model2.ts-submitted looking for model 1 # Found a chain break before 420 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model3.ts-submitted looking for model 1 # Found a chain break before 420 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model4.ts-submitted looking for model 1 # Found a chain break before 420 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model5.ts-submitted looking for model 1 # Found a chain break before 420 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0310.try1-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 390 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0310.try1-opt1.pdb.gz looking for model 1 # Found a chain break before 390 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0310.try1-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 403 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0310.try1-opt2.pdb.gz looking for model 1 # Found a chain break before 420 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0310.try1-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 420 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0310.try2-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 420 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0310.try2-opt1.pdb.gz looking for model 1 # Found a chain break before 420 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0310.try2-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 403 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0310.try2-opt2.pdb.gz looking for model 1 # Found a chain break before 420 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0310.try2-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 420 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0310.try3-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 420 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0310.try3-opt1.pdb.gz looking for model 1 # Found a chain break before 420 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0310.try3-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 384 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0310.try3-opt2.pdb.gz looking for model 1 # Found a chain break before 420 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0310.try3-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 420 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file from-tetramer-try1-opt1-A.pdb.gz looking for model 1 # Found a chain break before 420 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file rotate180.renum.pdb.gz looking for model 1 # Found a chain break before 399 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file rotateTake2.renum.pdb.gz looking for model 1 # Found a chain break before 420 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../dimer/decoys/T0310.try1-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 420 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0310.try2-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 409 # copying to AlignedFragments data structure # naming current conformation dimer//try2-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0310.try3-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 409 # copying to AlignedFragments data structure # naming current conformation dimer//try3-opt2.unpack # ReadConformPDB reading from PDB file ../tetramer/decoys/T0310.try1-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 420 # copying to AlignedFragments data structure # naming current conformation tetramer//try1-opt1-scwrl # ReadConformPDB reading from PDB file ../tetramer/decoys/T0310.try1-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 420 # copying to AlignedFragments data structure # naming current conformation tetramer//try1-opt1 # ReadConformPDB reading from PDB file ../tetramer/decoys/T0310.try1-opt1.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 420 # copying to AlignedFragments data structure # naming current conformation tetramer//try1-opt1.unpack # ReadConformPDB reading from PDB file ../tetramer/decoys/T0310.try1-opt2.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 424 # copying to AlignedFragments data structure # naming current conformation tetramer//try1-opt2.gromacs0 # ReadConformPDB reading from PDB file ../tetramer/decoys/T0310.try1-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 420 # copying to AlignedFragments data structure # naming current conformation tetramer//try1-opt2 # ReadConformPDB reading from PDB file ../tetramer/decoys/T0310.try1-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 420 # copying to AlignedFragments data structure # naming current conformation tetramer//try1-opt2.unpack # ReadConformPDB reading from PDB file ../tetramer/decoys/T0310.try2-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 420 # copying to AlignedFragments data structure # naming current conformation tetramer//try2-opt1-scwrl # ReadConformPDB reading from PDB file ../tetramer/decoys/T0310.try2-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 420 # copying to AlignedFragments data structure # naming current conformation tetramer//try2-opt1 # ReadConformPDB reading from PDB file ../tetramer/decoys/T0310.try2-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 409 # copying to AlignedFragments data structure # naming current conformation tetramer//try2-opt2 # ReadConformPDB reading from PDB file ../tetramer/decoys/T0310.try2-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 409 # copying to AlignedFragments data structure # naming current conformation tetramer//try2-opt2.unpack # ReadConformPDB reading from PDB file ../tetramer/decoys/T0310.try3-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 420 # copying to AlignedFragments data structure # naming current conformation tetramer//try3-opt1-scwrl # ReadConformPDB reading from PDB file ../tetramer/decoys/T0310.try3-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 420 # copying to AlignedFragments data structure # naming current conformation tetramer//try3-opt1 # ReadConformPDB reading from PDB file ../tetramer/decoys/T0310.try3-opt2.gromacs0.pdb.gz looking for chain 'A' model 1 Error: Reading chain from PDB file ../tetramer/decoys/T0310.try3-opt2.gromacs0.pdb.gz failed. # naming current conformation tetramer//try3-opt2.gromacs0 # ReadConformPDB reading from PDB file ../tetramer/decoys/T0310.try3-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 409 # copying to AlignedFragments data structure # naming current conformation tetramer//try3-opt2 # ReadConformPDB reading from PDB file ../tetramer/decoys/T0310.try3-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 409 # copying to AlignedFragments data structure # naming current conformation tetramer//try3-opt2.unpack # ReadConformPDB reading from PDB file ../tetramer/decoys/tetramer-try1-1euhA.pdb.gz looking for chain 'A' model 1 # Found a chain break before 420 # copying to AlignedFragments data structure # naming current conformation tetramer//tetramer-try1-1euhA # ReadConformPDB reading from PDB file ../tetramer/decoys/tetramer-try2-1euhA.pdb.gz looking for chain 'A' model 1 # Found a chain break before 417 # copying to AlignedFragments data structure # naming current conformation tetramer//tetramer-try2-1euhA # ReadConformPDB reading from PDB file ../tetramer/decoys/tetramer3-1euhA.pdb.gz looking for chain 'A' model 1 # Found a chain break before 420 # copying to AlignedFragments data structure # naming current conformation tetramer//tetramer3-1euhA # ReadConformPDB reading from PDB file ../tetramer/decoys/tetramer4-1euhA.pdb.gz looking for chain 'A' model 1 # Found a chain break before 420 # copying to AlignedFragments data structure # naming current conformation tetramer//tetramer4-1euhA # ReadConformPDB reading from PDB file ../tetramer/decoys/tetramer5-1euhA.pdb.gz looking for chain 'A' model 1 # Found a chain break before 420 # copying to AlignedFragments data structure # naming current conformation tetramer//tetramer5-1euhA # ReadConformPDB reading from PDB file ../tetramer/decoys/tetramer6-1euhA.pdb.gz looking for chain 'A' model 1 # Found a chain break before 399 # copying to AlignedFragments data structure # naming current conformation tetramer//tetramer6-1euhA # ReadConformPDB reading from PDB file ../tetramer/decoys/tetramer7-1euhA.pdb.gz looking for chain 'A' model 1 # Found a chain break before 399 # copying to AlignedFragments data structure # naming current conformation tetramer//tetramer7-1euhA # ReadConformPDB reading from PDB file ../tetramer/decoys/tetramer8-1euhA.pdb.gz looking for chain 'A' model 1 # Found a chain break before 399 # copying to AlignedFragments data structure # naming current conformation tetramer//tetramer8-1euhA # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0310 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS1 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_1327707377.pdb -s /var/tmp/to_scwrl_1327707377.seq -o /var/tmp/from_scwrl_1327707377.pdb > /var/tmp/scwrl_1327707377.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1327707377.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 T0310 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS2 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_1947529908.pdb -s /var/tmp/to_scwrl_1947529908.seq -o /var/tmp/from_scwrl_1947529908.pdb > /var/tmp/scwrl_1947529908.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1947529908.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 T0310 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS3 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_1195468004.pdb -s /var/tmp/to_scwrl_1195468004.seq -o /var/tmp/from_scwrl_1195468004.pdb > /var/tmp/scwrl_1195468004.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1195468004.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 T0310 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS4 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_1978777065.pdb -s /var/tmp/to_scwrl_1978777065.seq -o /var/tmp/from_scwrl_1978777065.pdb > /var/tmp/scwrl_1978777065.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1978777065.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 T0310 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS5 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_542472055.pdb -s /var/tmp/to_scwrl_542472055.seq -o /var/tmp/from_scwrl_542472055.pdb > /var/tmp/scwrl_542472055.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_542472055.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 T0310 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS1 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_1900603533.pdb -s /var/tmp/to_scwrl_1900603533.seq -o /var/tmp/from_scwrl_1900603533.pdb > /var/tmp/scwrl_1900603533.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1900603533.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 T0310 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS2 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_1806574341.pdb -s /var/tmp/to_scwrl_1806574341.seq -o /var/tmp/from_scwrl_1806574341.pdb > /var/tmp/scwrl_1806574341.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1806574341.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 T0310 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS3 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_1481181560.pdb -s /var/tmp/to_scwrl_1481181560.seq -o /var/tmp/from_scwrl_1481181560.pdb > /var/tmp/scwrl_1481181560.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1481181560.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 T0310 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS4 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_1843670624.pdb -s /var/tmp/to_scwrl_1843670624.seq -o /var/tmp/from_scwrl_1843670624.pdb > /var/tmp/scwrl_1843670624.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1843670624.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 T0310 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS5 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_898988034.pdb -s /var/tmp/to_scwrl_898988034.seq -o /var/tmp/from_scwrl_898988034.pdb > /var/tmp/scwrl_898988034.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_898988034.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 T0310 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS1 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_236299760.pdb -s /var/tmp/to_scwrl_236299760.seq -o /var/tmp/from_scwrl_236299760.pdb > /var/tmp/scwrl_236299760.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_236299760.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 T0310 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS2 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_1187528233.pdb -s /var/tmp/to_scwrl_1187528233.seq -o /var/tmp/from_scwrl_1187528233.pdb > /var/tmp/scwrl_1187528233.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1187528233.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 T0310 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS3 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_1204699817.pdb -s /var/tmp/to_scwrl_1204699817.seq -o /var/tmp/from_scwrl_1204699817.pdb > /var/tmp/scwrl_1204699817.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1204699817.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 T0310 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS4 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_2107647626.pdb -s /var/tmp/to_scwrl_2107647626.seq -o /var/tmp/from_scwrl_2107647626.pdb > /var/tmp/scwrl_2107647626.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2107647626.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 T0310 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS5 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_830144853.pdb -s /var/tmp/to_scwrl_830144853.seq -o /var/tmp/from_scwrl_830144853.pdb > /var/tmp/scwrl_830144853.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_830144853.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 401 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS1 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_97204639.pdb -s /var/tmp/to_scwrl_97204639.seq -o /var/tmp/from_scwrl_97204639.pdb > /var/tmp/scwrl_97204639.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_97204639.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 390 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS2 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_1687303655.pdb -s /var/tmp/to_scwrl_1687303655.seq -o /var/tmp/from_scwrl_1687303655.pdb > /var/tmp/scwrl_1687303655.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1687303655.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 417 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS3 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_2085847462.pdb -s /var/tmp/to_scwrl_2085847462.seq -o /var/tmp/from_scwrl_2085847462.pdb > /var/tmp/scwrl_2085847462.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2085847462.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 387 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS4 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_2093127639.pdb -s /var/tmp/to_scwrl_2093127639.seq -o /var/tmp/from_scwrl_2093127639.pdb > /var/tmp/scwrl_2093127639.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2093127639.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 394 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS5 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_1193037069.pdb -s /var/tmp/to_scwrl_1193037069.seq -o /var/tmp/from_scwrl_1193037069.pdb > /var/tmp/scwrl_1193037069.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1193037069.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 413 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS1 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_1667839820.pdb -s /var/tmp/to_scwrl_1667839820.seq -o /var/tmp/from_scwrl_1667839820.pdb > /var/tmp/scwrl_1667839820.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1667839820.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 399 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS2 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_867590757.pdb -s /var/tmp/to_scwrl_867590757.seq -o /var/tmp/from_scwrl_867590757.pdb > /var/tmp/scwrl_867590757.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_867590757.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 424 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS3 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_195468318.pdb -s /var/tmp/to_scwrl_195468318.seq -o /var/tmp/from_scwrl_195468318.pdb > /var/tmp/scwrl_195468318.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_195468318.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 423 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS4 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_1112235922.pdb -s /var/tmp/to_scwrl_1112235922.seq -o /var/tmp/from_scwrl_1112235922.pdb > /var/tmp/scwrl_1112235922.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1112235922.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 393 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS5 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_535401801.pdb -s /var/tmp/to_scwrl_535401801.seq -o /var/tmp/from_scwrl_535401801.pdb > /var/tmp/scwrl_535401801.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_535401801.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 391 # copying to AlignedFragments data structure # naming current conformation BayesHH_TS1 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_718495819.pdb -s /var/tmp/to_scwrl_718495819.seq -o /var/tmp/from_scwrl_718495819.pdb > /var/tmp/scwrl_718495819.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_718495819.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 412 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS1 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_1503833559.pdb -s /var/tmp/to_scwrl_1503833559.seq -o /var/tmp/from_scwrl_1503833559.pdb > /var/tmp/scwrl_1503833559.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1503833559.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 424 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS2 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_1507993537.pdb -s /var/tmp/to_scwrl_1507993537.seq -o /var/tmp/from_scwrl_1507993537.pdb > /var/tmp/scwrl_1507993537.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1507993537.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 424 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS3 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_2122821330.pdb -s /var/tmp/to_scwrl_2122821330.seq -o /var/tmp/from_scwrl_2122821330.pdb > /var/tmp/scwrl_2122821330.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2122821330.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 412 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS4 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_1640065881.pdb -s /var/tmp/to_scwrl_1640065881.seq -o /var/tmp/from_scwrl_1640065881.pdb > /var/tmp/scwrl_1640065881.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1640065881.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 424 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS5 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_1249188460.pdb -s /var/tmp/to_scwrl_1249188460.seq -o /var/tmp/from_scwrl_1249188460.pdb > /var/tmp/scwrl_1249188460.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1249188460.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 418 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS1 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_1303045060.pdb -s /var/tmp/to_scwrl_1303045060.seq -o /var/tmp/from_scwrl_1303045060.pdb > /var/tmp/scwrl_1303045060.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1303045060.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 # WARNING: incomplete conformation T0310 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS2 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_1440112142.pdb -s /var/tmp/to_scwrl_1440112142.seq -o /var/tmp/from_scwrl_1440112142.pdb > /var/tmp/scwrl_1440112142.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1440112142.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 # WARNING: incomplete conformation T0310 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS3 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_297172819.pdb -s /var/tmp/to_scwrl_297172819.seq -o /var/tmp/from_scwrl_297172819.pdb > /var/tmp/scwrl_297172819.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_297172819.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 # WARNING: incomplete conformation T0310 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS4 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_1134338478.pdb -s /var/tmp/to_scwrl_1134338478.seq -o /var/tmp/from_scwrl_1134338478.pdb > /var/tmp/scwrl_1134338478.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1134338478.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 # WARNING: incomplete conformation T0310 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS5 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_1982584197.pdb -s /var/tmp/to_scwrl_1982584197.seq -o /var/tmp/from_scwrl_1982584197.pdb > /var/tmp/scwrl_1982584197.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1982584197.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 T0310 can't currently be optimized by undertaker # naming current conformation CPHmodels_TS1 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_50292705.pdb -s /var/tmp/to_scwrl_50292705.seq -o /var/tmp/from_scwrl_50292705.pdb > /var/tmp/scwrl_50292705.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_50292705.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 T0310 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS1 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_793429173.pdb -s /var/tmp/to_scwrl_793429173.seq -o /var/tmp/from_scwrl_793429173.pdb > /var/tmp/scwrl_793429173.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_793429173.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 T0310 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS2 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_1316282111.pdb -s /var/tmp/to_scwrl_1316282111.seq -o /var/tmp/from_scwrl_1316282111.pdb > /var/tmp/scwrl_1316282111.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1316282111.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 T0310 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS3 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_1893963329.pdb -s /var/tmp/to_scwrl_1893963329.seq -o /var/tmp/from_scwrl_1893963329.pdb > /var/tmp/scwrl_1893963329.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1893963329.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 T0310 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS4 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_1692417206.pdb -s /var/tmp/to_scwrl_1692417206.seq -o /var/tmp/from_scwrl_1692417206.pdb > /var/tmp/scwrl_1692417206.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1692417206.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 T0310 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS5 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_1552581871.pdb -s /var/tmp/to_scwrl_1552581871.seq -o /var/tmp/from_scwrl_1552581871.pdb > /var/tmp/scwrl_1552581871.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1552581871.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 T0310 can't currently be optimized by undertaker # naming current conformation Distill_TS1 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_934007917.pdb -s /var/tmp/to_scwrl_934007917.seq -o /var/tmp/from_scwrl_934007917.pdb > /var/tmp/scwrl_934007917.log Error: Couldn't open file /var/tmp/from_scwrl_934007917.pdb or /var/tmp/from_scwrl_934007917.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_934007917_b.pdb or decoys//var/tmp/from_scwrl_934007917_b.pdb.gz for input Trying /var/tmp/from_scwrl_934007917_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_934007917_b.pdb or /var/tmp/from_scwrl_934007917_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_934007917_a.pdb or decoys//var/tmp/from_scwrl_934007917_a.pdb.gz for input Trying /var/tmp/from_scwrl_934007917_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_934007917_a.pdb or /var/tmp/from_scwrl_934007917_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_934007917.pdb or /var/tmp/from_scwrl_934007917_b.pdb or /var/tmp/from_scwrl_934007917_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 T0310 can't currently be optimized by undertaker # naming current conformation Distill_TS2 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_749633377.pdb -s /var/tmp/to_scwrl_749633377.seq -o /var/tmp/from_scwrl_749633377.pdb > /var/tmp/scwrl_749633377.log Error: Couldn't open file /var/tmp/from_scwrl_749633377.pdb or /var/tmp/from_scwrl_749633377.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_749633377_b.pdb or decoys//var/tmp/from_scwrl_749633377_b.pdb.gz for input Trying /var/tmp/from_scwrl_749633377_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_749633377_b.pdb or /var/tmp/from_scwrl_749633377_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_749633377_a.pdb or decoys//var/tmp/from_scwrl_749633377_a.pdb.gz for input Trying /var/tmp/from_scwrl_749633377_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_749633377_a.pdb or /var/tmp/from_scwrl_749633377_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_749633377.pdb or /var/tmp/from_scwrl_749633377_b.pdb or /var/tmp/from_scwrl_749633377_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 T0310 can't currently be optimized by undertaker # naming current conformation Distill_TS3 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_1512745850.pdb -s /var/tmp/to_scwrl_1512745850.seq -o /var/tmp/from_scwrl_1512745850.pdb > /var/tmp/scwrl_1512745850.log Error: Couldn't open file /var/tmp/from_scwrl_1512745850.pdb or /var/tmp/from_scwrl_1512745850.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1512745850_b.pdb or decoys//var/tmp/from_scwrl_1512745850_b.pdb.gz for input Trying /var/tmp/from_scwrl_1512745850_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1512745850_b.pdb or /var/tmp/from_scwrl_1512745850_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1512745850_a.pdb or decoys//var/tmp/from_scwrl_1512745850_a.pdb.gz for input Trying /var/tmp/from_scwrl_1512745850_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1512745850_a.pdb or /var/tmp/from_scwrl_1512745850_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1512745850.pdb or /var/tmp/from_scwrl_1512745850_b.pdb or /var/tmp/from_scwrl_1512745850_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 T0310 can't currently be optimized by undertaker # naming current conformation Distill_TS4 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_1764152769.pdb -s /var/tmp/to_scwrl_1764152769.seq -o /var/tmp/from_scwrl_1764152769.pdb > /var/tmp/scwrl_1764152769.log Error: Couldn't open file /var/tmp/from_scwrl_1764152769.pdb or /var/tmp/from_scwrl_1764152769.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1764152769_b.pdb or decoys//var/tmp/from_scwrl_1764152769_b.pdb.gz for input Trying /var/tmp/from_scwrl_1764152769_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1764152769_b.pdb or /var/tmp/from_scwrl_1764152769_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1764152769_a.pdb or decoys//var/tmp/from_scwrl_1764152769_a.pdb.gz for input Trying /var/tmp/from_scwrl_1764152769_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1764152769_a.pdb or /var/tmp/from_scwrl_1764152769_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1764152769.pdb or /var/tmp/from_scwrl_1764152769_b.pdb or /var/tmp/from_scwrl_1764152769_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 T0310 can't currently be optimized by undertaker # naming current conformation Distill_TS5 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_846838016.pdb -s /var/tmp/to_scwrl_846838016.seq -o /var/tmp/from_scwrl_846838016.pdb > /var/tmp/scwrl_846838016.log Error: Couldn't open file /var/tmp/from_scwrl_846838016.pdb or /var/tmp/from_scwrl_846838016.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_846838016_b.pdb or decoys//var/tmp/from_scwrl_846838016_b.pdb.gz for input Trying /var/tmp/from_scwrl_846838016_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_846838016_b.pdb or /var/tmp/from_scwrl_846838016_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_846838016_a.pdb or decoys//var/tmp/from_scwrl_846838016_a.pdb.gz for input Trying /var/tmp/from_scwrl_846838016_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_846838016_a.pdb or /var/tmp/from_scwrl_846838016_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_846838016.pdb or /var/tmp/from_scwrl_846838016_b.pdb or /var/tmp/from_scwrl_846838016_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 # WARNING: incomplete conformation T0310 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FAMSD_TS1 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_1052565859.pdb -s /var/tmp/to_scwrl_1052565859.seq -o /var/tmp/from_scwrl_1052565859.pdb > /var/tmp/scwrl_1052565859.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1052565859.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 T0310 can't currently be optimized by undertaker # naming current conformation FAMSD_TS2 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_1702516584.pdb -s /var/tmp/to_scwrl_1702516584.seq -o /var/tmp/from_scwrl_1702516584.pdb > /var/tmp/scwrl_1702516584.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1702516584.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 # WARNING: incomplete conformation T0310 can't currently be optimized by undertaker # naming current conformation FAMSD_TS3 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_792482009.pdb -s /var/tmp/to_scwrl_792482009.seq -o /var/tmp/from_scwrl_792482009.pdb > /var/tmp/scwrl_792482009.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_792482009.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 # WARNING: incomplete conformation T0310 can't currently be optimized by undertaker # naming current conformation FAMSD_TS4 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_98119281.pdb -s /var/tmp/to_scwrl_98119281.seq -o /var/tmp/from_scwrl_98119281.pdb > /var/tmp/scwrl_98119281.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_98119281.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 # WARNING: incomplete conformation T0310 can't currently be optimized by undertaker # naming current conformation FAMSD_TS5 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_1222872758.pdb -s /var/tmp/to_scwrl_1222872758.seq -o /var/tmp/from_scwrl_1222872758.pdb > /var/tmp/scwrl_1222872758.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1222872758.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 # WARNING: incomplete conformation T0310 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FAMS_TS1 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_1660072765.pdb -s /var/tmp/to_scwrl_1660072765.seq -o /var/tmp/from_scwrl_1660072765.pdb > /var/tmp/scwrl_1660072765.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1660072765.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 # WARNING: incomplete conformation T0310 can't currently be optimized by undertaker # naming current conformation FAMS_TS2 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_293587600.pdb -s /var/tmp/to_scwrl_293587600.seq -o /var/tmp/from_scwrl_293587600.pdb > /var/tmp/scwrl_293587600.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_293587600.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 # WARNING: incomplete conformation T0310 can't currently be optimized by undertaker # naming current conformation FAMS_TS3 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_187625034.pdb -s /var/tmp/to_scwrl_187625034.seq -o /var/tmp/from_scwrl_187625034.pdb > /var/tmp/scwrl_187625034.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_187625034.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 # WARNING: incomplete conformation T0310 can't currently be optimized by undertaker # naming current conformation FAMS_TS4 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_47990920.pdb -s /var/tmp/to_scwrl_47990920.seq -o /var/tmp/from_scwrl_47990920.pdb > /var/tmp/scwrl_47990920.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_47990920.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 # WARNING: incomplete conformation T0310 can't currently be optimized by undertaker # naming current conformation FAMS_TS5 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_1012083419.pdb -s /var/tmp/to_scwrl_1012083419.seq -o /var/tmp/from_scwrl_1012083419.pdb > /var/tmp/scwrl_1012083419.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1012083419.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 382 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS1 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_1691458593.pdb -s /var/tmp/to_scwrl_1691458593.seq -o /var/tmp/from_scwrl_1691458593.pdb > /var/tmp/scwrl_1691458593.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1691458593.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 382 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS2 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_1555984457.pdb -s /var/tmp/to_scwrl_1555984457.seq -o /var/tmp/from_scwrl_1555984457.pdb > /var/tmp/scwrl_1555984457.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1555984457.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 375 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS3 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_987421102.pdb -s /var/tmp/to_scwrl_987421102.seq -o /var/tmp/from_scwrl_987421102.pdb > /var/tmp/scwrl_987421102.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_987421102.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 399 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS4 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_1184040828.pdb -s /var/tmp/to_scwrl_1184040828.seq -o /var/tmp/from_scwrl_1184040828.pdb > /var/tmp/scwrl_1184040828.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1184040828.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 387 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS5 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_657689271.pdb -s /var/tmp/to_scwrl_657689271.seq -o /var/tmp/from_scwrl_657689271.pdb > /var/tmp/scwrl_657689271.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_657689271.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 # WARNING: incomplete conformation T0310 can't currently be optimized by undertaker # naming current conformation FORTE1_AL1 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_142982515.pdb -s /var/tmp/to_scwrl_142982515.seq -o /var/tmp/from_scwrl_142982515.pdb > /var/tmp/scwrl_142982515.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_142982515.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 T0310 can't currently be optimized by undertaker # naming current conformation FORTE1_AL2 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_476669324.pdb -s /var/tmp/to_scwrl_476669324.seq -o /var/tmp/from_scwrl_476669324.pdb > /var/tmp/scwrl_476669324.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_476669324.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 T0310 can't currently be optimized by undertaker # naming current conformation FORTE1_AL3 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_954862090.pdb -s /var/tmp/to_scwrl_954862090.seq -o /var/tmp/from_scwrl_954862090.pdb > /var/tmp/scwrl_954862090.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_954862090.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 254, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 256, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 258, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 260, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 942, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 944, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 946, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 948, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 1490, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 1492, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 1494, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 1496, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz # WARNING: incomplete conformation T0310 can't currently be optimized by undertaker # naming current conformation FORTE1_AL4 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_1277320993.pdb -s /var/tmp/to_scwrl_1277320993.seq -o /var/tmp/from_scwrl_1277320993.pdb > /var/tmp/scwrl_1277320993.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1277320993.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 T0310 can't currently be optimized by undertaker # naming current conformation FORTE1_AL5 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_311769875.pdb -s /var/tmp/to_scwrl_311769875.seq -o /var/tmp/from_scwrl_311769875.pdb > /var/tmp/scwrl_311769875.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_311769875.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 # WARNING: incomplete conformation T0310 can't currently be optimized by undertaker # naming current conformation FORTE2_AL1 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_1005154795.pdb -s /var/tmp/to_scwrl_1005154795.seq -o /var/tmp/from_scwrl_1005154795.pdb > /var/tmp/scwrl_1005154795.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1005154795.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 T0310 can't currently be optimized by undertaker # naming current conformation FORTE2_AL2 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_2070750166.pdb -s /var/tmp/to_scwrl_2070750166.seq -o /var/tmp/from_scwrl_2070750166.pdb > /var/tmp/scwrl_2070750166.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2070750166.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 T0310 can't currently be optimized by undertaker # naming current conformation FORTE2_AL3 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_1628051986.pdb -s /var/tmp/to_scwrl_1628051986.seq -o /var/tmp/from_scwrl_1628051986.pdb > /var/tmp/scwrl_1628051986.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1628051986.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 254, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 256, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 258, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 260, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 942, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 944, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 946, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 948, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 1490, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 1492, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 1494, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 1496, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz # WARNING: incomplete conformation T0310 can't currently be optimized by undertaker # naming current conformation FORTE2_AL4 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_751634478.pdb -s /var/tmp/to_scwrl_751634478.seq -o /var/tmp/from_scwrl_751634478.pdb > /var/tmp/scwrl_751634478.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_751634478.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 T0310 can't currently be optimized by undertaker # naming current conformation FORTE2_AL5 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_1615683725.pdb -s /var/tmp/to_scwrl_1615683725.seq -o /var/tmp/from_scwrl_1615683725.pdb > /var/tmp/scwrl_1615683725.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1615683725.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 424 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS1 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_1033150211.pdb -s /var/tmp/to_scwrl_1033150211.seq -o /var/tmp/from_scwrl_1033150211.pdb > /var/tmp/scwrl_1033150211.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1033150211.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 424 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS2 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_1685642394.pdb -s /var/tmp/to_scwrl_1685642394.seq -o /var/tmp/from_scwrl_1685642394.pdb > /var/tmp/scwrl_1685642394.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1685642394.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 424 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS3 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_217833456.pdb -s /var/tmp/to_scwrl_217833456.seq -o /var/tmp/from_scwrl_217833456.pdb > /var/tmp/scwrl_217833456.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_217833456.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 411 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS4 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_398412415.pdb -s /var/tmp/to_scwrl_398412415.seq -o /var/tmp/from_scwrl_398412415.pdb > /var/tmp/scwrl_398412415.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_398412415.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 424 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS5 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_1302311516.pdb -s /var/tmp/to_scwrl_1302311516.seq -o /var/tmp/from_scwrl_1302311516.pdb > /var/tmp/scwrl_1302311516.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1302311516.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 T0310 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS1 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_1064671472.pdb -s /var/tmp/to_scwrl_1064671472.seq -o /var/tmp/from_scwrl_1064671472.pdb > /var/tmp/scwrl_1064671472.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1064671472.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 # Found a chain break before 384 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS2 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_1450978273.pdb -s /var/tmp/to_scwrl_1450978273.seq -o /var/tmp/from_scwrl_1450978273.pdb > /var/tmp/scwrl_1450978273.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1450978273.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 # Found a chain break before 403 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS3 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_857344455.pdb -s /var/tmp/to_scwrl_857344455.seq -o /var/tmp/from_scwrl_857344455.pdb > /var/tmp/scwrl_857344455.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_857344455.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 T0310 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS4 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_1857153480.pdb -s /var/tmp/to_scwrl_1857153480.seq -o /var/tmp/from_scwrl_1857153480.pdb > /var/tmp/scwrl_1857153480.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1857153480.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 # Found a chain break before 387 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS5 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_1549097555.pdb -s /var/tmp/to_scwrl_1549097555.seq -o /var/tmp/from_scwrl_1549097555.pdb > /var/tmp/scwrl_1549097555.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1549097555.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 T0310 can't currently be optimized by undertaker # naming current conformation FUGUE_AL1 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_2080217213.pdb -s /var/tmp/to_scwrl_2080217213.seq -o /var/tmp/from_scwrl_2080217213.pdb > /var/tmp/scwrl_2080217213.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2080217213.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 T0310 can't currently be optimized by undertaker # naming current conformation FUGUE_AL2 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_1369742599.pdb -s /var/tmp/to_scwrl_1369742599.seq -o /var/tmp/from_scwrl_1369742599.pdb > /var/tmp/scwrl_1369742599.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1369742599.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 T0310 can't currently be optimized by undertaker # naming current conformation FUGUE_AL3 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_1842685155.pdb -s /var/tmp/to_scwrl_1842685155.seq -o /var/tmp/from_scwrl_1842685155.pdb > /var/tmp/scwrl_1842685155.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1842685155.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 T0310 can't currently be optimized by undertaker # naming current conformation FUGUE_AL4 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_120358600.pdb -s /var/tmp/to_scwrl_120358600.seq -o /var/tmp/from_scwrl_120358600.pdb > /var/tmp/scwrl_120358600.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_120358600.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 T0310 can't currently be optimized by undertaker # naming current conformation FUGUE_AL5 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_1417733519.pdb -s /var/tmp/to_scwrl_1417733519.seq -o /var/tmp/from_scwrl_1417733519.pdb > /var/tmp/scwrl_1417733519.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1417733519.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 # WARNING: incomplete conformation T0310 can't currently be optimized by undertaker # naming current conformation FUNCTION_TS1 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_707284927.pdb -s /var/tmp/to_scwrl_707284927.seq -o /var/tmp/from_scwrl_707284927.pdb > /var/tmp/scwrl_707284927.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_707284927.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 421 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS2 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_1811817193.pdb -s /var/tmp/to_scwrl_1811817193.seq -o /var/tmp/from_scwrl_1811817193.pdb > /var/tmp/scwrl_1811817193.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1811817193.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 # WARNING: incomplete conformation T0310 can't currently be optimized by undertaker # naming current conformation FUNCTION_TS3 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_826234330.pdb -s /var/tmp/to_scwrl_826234330.seq -o /var/tmp/from_scwrl_826234330.pdb > /var/tmp/scwrl_826234330.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_826234330.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 # WARNING: incomplete conformation T0310 can't currently be optimized by undertaker # naming current conformation FUNCTION_TS4 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_1694706028.pdb -s /var/tmp/to_scwrl_1694706028.seq -o /var/tmp/from_scwrl_1694706028.pdb > /var/tmp/scwrl_1694706028.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1694706028.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 422 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS5 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_848374375.pdb -s /var/tmp/to_scwrl_848374375.seq -o /var/tmp/from_scwrl_848374375.pdb > /var/tmp/scwrl_848374375.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_848374375.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 # WARNING: incomplete conformation T0310 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS1 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_1483923600.pdb -s /var/tmp/to_scwrl_1483923600.seq -o /var/tmp/from_scwrl_1483923600.pdb > /var/tmp/scwrl_1483923600.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1483923600.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS1-scwrl # ReadConformPDB reading from PDB file servers/HHpred1_TS1.pdb.gz looking for model 1 # Found a chain break before 391 # copying to AlignedFragments data structure # naming current conformation HHpred1_TS1 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_1837688543.pdb -s /var/tmp/to_scwrl_1837688543.seq -o /var/tmp/from_scwrl_1837688543.pdb > /var/tmp/scwrl_1837688543.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1837688543.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 391 # copying to AlignedFragments data structure # naming current conformation HHpred2_TS1 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_1325043699.pdb -s /var/tmp/to_scwrl_1325043699.seq -o /var/tmp/from_scwrl_1325043699.pdb > /var/tmp/scwrl_1325043699.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1325043699.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 391 # copying to AlignedFragments data structure # naming current conformation HHpred3_TS1 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_291302044.pdb -s /var/tmp/to_scwrl_291302044.seq -o /var/tmp/from_scwrl_291302044.pdb > /var/tmp/scwrl_291302044.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_291302044.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 T0310 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS1 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_967525890.pdb -s /var/tmp/to_scwrl_967525890.seq -o /var/tmp/from_scwrl_967525890.pdb > /var/tmp/scwrl_967525890.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_967525890.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 T0310 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS2 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_1636813574.pdb -s /var/tmp/to_scwrl_1636813574.seq -o /var/tmp/from_scwrl_1636813574.pdb > /var/tmp/scwrl_1636813574.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1636813574.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 T0310 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS3 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_1296456838.pdb -s /var/tmp/to_scwrl_1296456838.seq -o /var/tmp/from_scwrl_1296456838.pdb > /var/tmp/scwrl_1296456838.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1296456838.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 T0310 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS4 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_890792409.pdb -s /var/tmp/to_scwrl_890792409.seq -o /var/tmp/from_scwrl_890792409.pdb > /var/tmp/scwrl_890792409.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_890792409.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 T0310 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS5 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_1117381913.pdb -s /var/tmp/to_scwrl_1117381913.seq -o /var/tmp/from_scwrl_1117381913.pdb > /var/tmp/scwrl_1117381913.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1117381913.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 T0310 can't currently be optimized by undertaker # naming current conformation LOOPP_TS1 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_2048091316.pdb -s /var/tmp/to_scwrl_2048091316.seq -o /var/tmp/from_scwrl_2048091316.pdb > /var/tmp/scwrl_2048091316.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2048091316.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 T0310 can't currently be optimized by undertaker # naming current conformation LOOPP_TS2 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_358992487.pdb -s /var/tmp/to_scwrl_358992487.seq -o /var/tmp/from_scwrl_358992487.pdb > /var/tmp/scwrl_358992487.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_358992487.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 T0310 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation LOOPP_TS3 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_3048477.pdb -s /var/tmp/to_scwrl_3048477.seq -o /var/tmp/from_scwrl_3048477.pdb > /var/tmp/scwrl_3048477.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_3048477.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 T0310 can't currently be optimized by undertaker # naming current conformation LOOPP_TS4 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_1586250063.pdb -s /var/tmp/to_scwrl_1586250063.seq -o /var/tmp/from_scwrl_1586250063.pdb > /var/tmp/scwrl_1586250063.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1586250063.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 T0310 can't currently be optimized by undertaker # naming current conformation LOOPP_TS5 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_576825943.pdb -s /var/tmp/to_scwrl_576825943.seq -o /var/tmp/from_scwrl_576825943.pdb > /var/tmp/scwrl_576825943.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_576825943.pdb # conformation set from SCWRL output # naming current conformation LOOPP_TS5-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS1.pdb.gz looking for model 1 # Found a chain break before 418 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS1 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_401460892.pdb -s /var/tmp/to_scwrl_401460892.seq -o /var/tmp/from_scwrl_401460892.pdb > /var/tmp/scwrl_401460892.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_401460892.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 419 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS2 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_741077934.pdb -s /var/tmp/to_scwrl_741077934.seq -o /var/tmp/from_scwrl_741077934.pdb > /var/tmp/scwrl_741077934.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_741077934.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 423 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS3 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_1641497415.pdb -s /var/tmp/to_scwrl_1641497415.seq -o /var/tmp/from_scwrl_1641497415.pdb > /var/tmp/scwrl_1641497415.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1641497415.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 421 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS4 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_1852439166.pdb -s /var/tmp/to_scwrl_1852439166.seq -o /var/tmp/from_scwrl_1852439166.pdb > /var/tmp/scwrl_1852439166.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1852439166.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 416 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS5 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_1598422388.pdb -s /var/tmp/to_scwrl_1598422388.seq -o /var/tmp/from_scwrl_1598422388.pdb > /var/tmp/scwrl_1598422388.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1598422388.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 420 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS1 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_1351167248.pdb -s /var/tmp/to_scwrl_1351167248.seq -o /var/tmp/from_scwrl_1351167248.pdb > /var/tmp/scwrl_1351167248.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1351167248.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 422 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS2 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_1254053074.pdb -s /var/tmp/to_scwrl_1254053074.seq -o /var/tmp/from_scwrl_1254053074.pdb > /var/tmp/scwrl_1254053074.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1254053074.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 414 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS3 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_1531155954.pdb -s /var/tmp/to_scwrl_1531155954.seq -o /var/tmp/from_scwrl_1531155954.pdb > /var/tmp/scwrl_1531155954.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1531155954.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 424 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS4 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_573426201.pdb -s /var/tmp/to_scwrl_573426201.seq -o /var/tmp/from_scwrl_573426201.pdb > /var/tmp/scwrl_573426201.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_573426201.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 423 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS5 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_949254583.pdb -s /var/tmp/to_scwrl_949254583.seq -o /var/tmp/from_scwrl_949254583.pdb > /var/tmp/scwrl_949254583.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_949254583.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 # Found a chain break before 375 # copying to AlignedFragments data structure # naming current conformation NN_PUT_lab_TS1 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_1651514554.pdb -s /var/tmp/to_scwrl_1651514554.seq -o /var/tmp/from_scwrl_1651514554.pdb > /var/tmp/scwrl_1651514554.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1651514554.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 383 ; scwrl3 -i /var/tmp/to_scwrl_1991159720.pdb -s /var/tmp/to_scwrl_1991159720.seq -o /var/tmp/from_scwrl_1991159720.pdb > /var/tmp/scwrl_1991159720.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1991159720.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 383 ; scwrl3 -i /var/tmp/to_scwrl_1656539509.pdb -s /var/tmp/to_scwrl_1656539509.seq -o /var/tmp/from_scwrl_1656539509.pdb > /var/tmp/scwrl_1656539509.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1656539509.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 # WARNING: incomplete conformation T0310 can't currently be optimized by undertaker # naming current conformation PROTINFO-AB_TS3 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_1315848100.pdb -s /var/tmp/to_scwrl_1315848100.seq -o /var/tmp/from_scwrl_1315848100.pdb > /var/tmp/scwrl_1315848100.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1315848100.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 # WARNING: incomplete conformation T0310 can't currently be optimized by undertaker # naming current conformation PROTINFO-AB_TS4 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_669910403.pdb -s /var/tmp/to_scwrl_669910403.seq -o /var/tmp/from_scwrl_669910403.pdb > /var/tmp/scwrl_669910403.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_669910403.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 # WARNING: incomplete conformation T0310 can't currently be optimized by undertaker # naming current conformation PROTINFO-AB_TS5 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_1203761890.pdb -s /var/tmp/to_scwrl_1203761890.seq -o /var/tmp/from_scwrl_1203761890.pdb > /var/tmp/scwrl_1203761890.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1203761890.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 # WARNING: incomplete conformation T0310 can't currently be optimized by undertaker # naming current conformation PROTINFO_TS1 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_16738829.pdb -s /var/tmp/to_scwrl_16738829.seq -o /var/tmp/from_scwrl_16738829.pdb > /var/tmp/scwrl_16738829.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_16738829.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 # WARNING: incomplete conformation T0310 can't currently be optimized by undertaker # naming current conformation PROTINFO_TS2 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_6350357.pdb -s /var/tmp/to_scwrl_6350357.seq -o /var/tmp/from_scwrl_6350357.pdb > /var/tmp/scwrl_6350357.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_6350357.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 # WARNING: incomplete conformation T0310 can't currently be optimized by undertaker # naming current conformation PROTINFO_TS3 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_893966787.pdb -s /var/tmp/to_scwrl_893966787.seq -o /var/tmp/from_scwrl_893966787.pdb > /var/tmp/scwrl_893966787.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_893966787.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 # WARNING: incomplete conformation T0310 can't currently be optimized by undertaker # naming current conformation PROTINFO_TS4 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_1341782528.pdb -s /var/tmp/to_scwrl_1341782528.seq -o /var/tmp/from_scwrl_1341782528.pdb > /var/tmp/scwrl_1341782528.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1341782528.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 # WARNING: incomplete conformation T0310 can't currently be optimized by undertaker # naming current conformation PROTINFO_TS5 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_297652401.pdb -s /var/tmp/to_scwrl_297652401.seq -o /var/tmp/from_scwrl_297652401.pdb > /var/tmp/scwrl_297652401.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_297652401.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 T0310 can't currently be optimized by undertaker # naming current conformation Pcons6_TS1 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_1861492676.pdb -s /var/tmp/to_scwrl_1861492676.seq -o /var/tmp/from_scwrl_1861492676.pdb > /var/tmp/scwrl_1861492676.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1861492676.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 T0310 can't currently be optimized by undertaker # naming current conformation Pcons6_TS2 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_831112456.pdb -s /var/tmp/to_scwrl_831112456.seq -o /var/tmp/from_scwrl_831112456.pdb > /var/tmp/scwrl_831112456.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_831112456.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 T0310 can't currently be optimized by undertaker # naming current conformation Pcons6_TS3 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_1594109239.pdb -s /var/tmp/to_scwrl_1594109239.seq -o /var/tmp/from_scwrl_1594109239.pdb > /var/tmp/scwrl_1594109239.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1594109239.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 T0310 can't currently be optimized by undertaker # naming current conformation Pcons6_TS4 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_604801438.pdb -s /var/tmp/to_scwrl_604801438.seq -o /var/tmp/from_scwrl_604801438.pdb > /var/tmp/scwrl_604801438.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_604801438.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 T0310 can't currently be optimized by undertaker # naming current conformation Pcons6_TS5 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_1948494369.pdb -s /var/tmp/to_scwrl_1948494369.seq -o /var/tmp/from_scwrl_1948494369.pdb > /var/tmp/scwrl_1948494369.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1948494369.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 T0310 can't currently be optimized by undertaker # naming current conformation Phyre-1_TS1 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_1494716909.pdb -s /var/tmp/to_scwrl_1494716909.seq -o /var/tmp/from_scwrl_1494716909.pdb > /var/tmp/scwrl_1494716909.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1494716909.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 422 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS1 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_963793925.pdb -s /var/tmp/to_scwrl_963793925.seq -o /var/tmp/from_scwrl_963793925.pdb > /var/tmp/scwrl_963793925.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_963793925.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 424 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS2 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_1951542846.pdb -s /var/tmp/to_scwrl_1951542846.seq -o /var/tmp/from_scwrl_1951542846.pdb > /var/tmp/scwrl_1951542846.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1951542846.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 424 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS3 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_933483326.pdb -s /var/tmp/to_scwrl_933483326.seq -o /var/tmp/from_scwrl_933483326.pdb > /var/tmp/scwrl_933483326.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_933483326.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 424 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS4 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_1540619868.pdb -s /var/tmp/to_scwrl_1540619868.seq -o /var/tmp/from_scwrl_1540619868.pdb > /var/tmp/scwrl_1540619868.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1540619868.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 # Found a chain break before 424 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS5 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_205520092.pdb -s /var/tmp/to_scwrl_205520092.seq -o /var/tmp/from_scwrl_205520092.pdb > /var/tmp/scwrl_205520092.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_205520092.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 # WARNING: incomplete conformation T0310 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS1 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_1674561259.pdb -s /var/tmp/to_scwrl_1674561259.seq -o /var/tmp/from_scwrl_1674561259.pdb > /var/tmp/scwrl_1674561259.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1674561259.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 T0310 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS2 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_1034633637.pdb -s /var/tmp/to_scwrl_1034633637.seq -o /var/tmp/from_scwrl_1034633637.pdb > /var/tmp/scwrl_1034633637.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1034633637.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 T0310 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS3 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_2057959258.pdb -s /var/tmp/to_scwrl_2057959258.seq -o /var/tmp/from_scwrl_2057959258.pdb > /var/tmp/scwrl_2057959258.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2057959258.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 T0310 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS4 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_1125500000.pdb -s /var/tmp/to_scwrl_1125500000.seq -o /var/tmp/from_scwrl_1125500000.pdb > /var/tmp/scwrl_1125500000.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1125500000.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 # WARNING: incomplete conformation T0310 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS5 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_238317238.pdb -s /var/tmp/to_scwrl_238317238.seq -o /var/tmp/from_scwrl_238317238.pdb > /var/tmp/scwrl_238317238.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_238317238.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 # Found a chain break before 387 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS1 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_1164528685.pdb -s /var/tmp/to_scwrl_1164528685.seq -o /var/tmp/from_scwrl_1164528685.pdb > /var/tmp/scwrl_1164528685.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1164528685.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 386 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS2 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_509172308.pdb -s /var/tmp/to_scwrl_509172308.seq -o /var/tmp/from_scwrl_509172308.pdb > /var/tmp/scwrl_509172308.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_509172308.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 371 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS3 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_811743440.pdb -s /var/tmp/to_scwrl_811743440.seq -o /var/tmp/from_scwrl_811743440.pdb > /var/tmp/scwrl_811743440.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_811743440.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 # Found a chain break before 374 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS4 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_2113783268.pdb -s /var/tmp/to_scwrl_2113783268.seq -o /var/tmp/from_scwrl_2113783268.pdb > /var/tmp/scwrl_2113783268.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2113783268.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 400 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS5 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_13203215.pdb -s /var/tmp/to_scwrl_13203215.seq -o /var/tmp/from_scwrl_13203215.pdb > /var/tmp/scwrl_13203215.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_13203215.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 424 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS1 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_655419513.pdb -s /var/tmp/to_scwrl_655419513.seq -o /var/tmp/from_scwrl_655419513.pdb > /var/tmp/scwrl_655419513.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_655419513.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 421 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS2 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_1622839130.pdb -s /var/tmp/to_scwrl_1622839130.seq -o /var/tmp/from_scwrl_1622839130.pdb > /var/tmp/scwrl_1622839130.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1622839130.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 422 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS3 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_1329051316.pdb -s /var/tmp/to_scwrl_1329051316.seq -o /var/tmp/from_scwrl_1329051316.pdb > /var/tmp/scwrl_1329051316.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1329051316.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 420 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS4 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_1325329916.pdb -s /var/tmp/to_scwrl_1325329916.seq -o /var/tmp/from_scwrl_1325329916.pdb > /var/tmp/scwrl_1325329916.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1325329916.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 420 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS5 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_679117374.pdb -s /var/tmp/to_scwrl_679117374.seq -o /var/tmp/from_scwrl_679117374.pdb > /var/tmp/scwrl_679117374.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_679117374.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 388 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS1 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_1345790145.pdb -s /var/tmp/to_scwrl_1345790145.seq -o /var/tmp/from_scwrl_1345790145.pdb > /var/tmp/scwrl_1345790145.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1345790145.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 388 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS2 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_1331680273.pdb -s /var/tmp/to_scwrl_1331680273.seq -o /var/tmp/from_scwrl_1331680273.pdb > /var/tmp/scwrl_1331680273.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1331680273.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 387 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS3 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_1573084160.pdb -s /var/tmp/to_scwrl_1573084160.seq -o /var/tmp/from_scwrl_1573084160.pdb > /var/tmp/scwrl_1573084160.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1573084160.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 383 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS4 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_540089027.pdb -s /var/tmp/to_scwrl_540089027.seq -o /var/tmp/from_scwrl_540089027.pdb > /var/tmp/scwrl_540089027.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_540089027.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 382 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS5 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_1629332674.pdb -s /var/tmp/to_scwrl_1629332674.seq -o /var/tmp/from_scwrl_1629332674.pdb > /var/tmp/scwrl_1629332674.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1629332674.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 324 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS1 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_1287093189.pdb -s /var/tmp/to_scwrl_1287093189.seq -o /var/tmp/from_scwrl_1287093189.pdb > /var/tmp/scwrl_1287093189.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1287093189.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 409 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS2 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_1371201482.pdb -s /var/tmp/to_scwrl_1371201482.seq -o /var/tmp/from_scwrl_1371201482.pdb > /var/tmp/scwrl_1371201482.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1371201482.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 417 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS3 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_1075958266.pdb -s /var/tmp/to_scwrl_1075958266.seq -o /var/tmp/from_scwrl_1075958266.pdb > /var/tmp/scwrl_1075958266.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1075958266.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 373 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS4 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_1891894627.pdb -s /var/tmp/to_scwrl_1891894627.seq -o /var/tmp/from_scwrl_1891894627.pdb > /var/tmp/scwrl_1891894627.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1891894627.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 324 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS5 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_1172212204.pdb -s /var/tmp/to_scwrl_1172212204.seq -o /var/tmp/from_scwrl_1172212204.pdb > /var/tmp/scwrl_1172212204.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1172212204.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 375 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS1 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_423191529.pdb -s /var/tmp/to_scwrl_423191529.seq -o /var/tmp/from_scwrl_423191529.pdb > /var/tmp/scwrl_423191529.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_423191529.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 413 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS2 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_708204905.pdb -s /var/tmp/to_scwrl_708204905.seq -o /var/tmp/from_scwrl_708204905.pdb > /var/tmp/scwrl_708204905.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_708204905.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 388 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS3 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_976271404.pdb -s /var/tmp/to_scwrl_976271404.seq -o /var/tmp/from_scwrl_976271404.pdb > /var/tmp/scwrl_976271404.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_976271404.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 377 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS4 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_1356674855.pdb -s /var/tmp/to_scwrl_1356674855.seq -o /var/tmp/from_scwrl_1356674855.pdb > /var/tmp/scwrl_1356674855.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1356674855.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 390 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS5 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_101341126.pdb -s /var/tmp/to_scwrl_101341126.seq -o /var/tmp/from_scwrl_101341126.pdb > /var/tmp/scwrl_101341126.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_101341126.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 T0310 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL1 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_1181791495.pdb -s /var/tmp/to_scwrl_1181791495.seq -o /var/tmp/from_scwrl_1181791495.pdb > /var/tmp/scwrl_1181791495.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1181791495.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 T0310 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL2 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_883752468.pdb -s /var/tmp/to_scwrl_883752468.seq -o /var/tmp/from_scwrl_883752468.pdb > /var/tmp/scwrl_883752468.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_883752468.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 T0310 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL3 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_1135974762.pdb -s /var/tmp/to_scwrl_1135974762.seq -o /var/tmp/from_scwrl_1135974762.pdb > /var/tmp/scwrl_1135974762.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1135974762.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 # WARNING: incomplete conformation T0310 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL4 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_1092267106.pdb -s /var/tmp/to_scwrl_1092267106.seq -o /var/tmp/from_scwrl_1092267106.pdb > /var/tmp/scwrl_1092267106.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1092267106.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 246, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 248, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 250, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 252, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 926, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 928, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 930, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 932, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 1474, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 1476, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 1478, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 1480, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz # WARNING: incomplete conformation T0310 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL5 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_2009252469.pdb -s /var/tmp/to_scwrl_2009252469.seq -o /var/tmp/from_scwrl_2009252469.pdb > /var/tmp/scwrl_2009252469.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2009252469.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 T0310 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL1 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_1374292001.pdb -s /var/tmp/to_scwrl_1374292001.seq -o /var/tmp/from_scwrl_1374292001.pdb > /var/tmp/scwrl_1374292001.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1374292001.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 # WARNING: incomplete conformation T0310 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL2 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_109312145.pdb -s /var/tmp/to_scwrl_109312145.seq -o /var/tmp/from_scwrl_109312145.pdb > /var/tmp/scwrl_109312145.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_109312145.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 # WARNING: incomplete conformation T0310 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL3 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_370941130.pdb -s /var/tmp/to_scwrl_370941130.seq -o /var/tmp/from_scwrl_370941130.pdb > /var/tmp/scwrl_370941130.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_370941130.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 # WARNING: incomplete conformation T0310 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL4 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_38551794.pdb -s /var/tmp/to_scwrl_38551794.seq -o /var/tmp/from_scwrl_38551794.pdb > /var/tmp/scwrl_38551794.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_38551794.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 T0310 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL5 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_75611766.pdb -s /var/tmp/to_scwrl_75611766.seq -o /var/tmp/from_scwrl_75611766.pdb > /var/tmp/scwrl_75611766.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_75611766.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 397 # copying to AlignedFragments data structure # naming current conformation SAM_T06_server_TS1 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_384144346.pdb -s /var/tmp/to_scwrl_384144346.seq -o /var/tmp/from_scwrl_384144346.pdb > /var/tmp/scwrl_384144346.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_384144346.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 T0310 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS2 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_693971307.pdb -s /var/tmp/to_scwrl_693971307.seq -o /var/tmp/from_scwrl_693971307.pdb > /var/tmp/scwrl_693971307.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_693971307.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 T0310 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS3 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_1698450896.pdb -s /var/tmp/to_scwrl_1698450896.seq -o /var/tmp/from_scwrl_1698450896.pdb > /var/tmp/scwrl_1698450896.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1698450896.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 T0310 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS4 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_1713195662.pdb -s /var/tmp/to_scwrl_1713195662.seq -o /var/tmp/from_scwrl_1713195662.pdb > /var/tmp/scwrl_1713195662.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1713195662.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 T0310 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS5 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_2019301223.pdb -s /var/tmp/to_scwrl_2019301223.seq -o /var/tmp/from_scwrl_2019301223.pdb > /var/tmp/scwrl_2019301223.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2019301223.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 375 # copying to AlignedFragments data structure # naming current conformation SP3_TS1 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_230084623.pdb -s /var/tmp/to_scwrl_230084623.seq -o /var/tmp/from_scwrl_230084623.pdb > /var/tmp/scwrl_230084623.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_230084623.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 383 # copying to AlignedFragments data structure # naming current conformation SP3_TS2 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_911502161.pdb -s /var/tmp/to_scwrl_911502161.seq -o /var/tmp/from_scwrl_911502161.pdb > /var/tmp/scwrl_911502161.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_911502161.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 376 # copying to AlignedFragments data structure # naming current conformation SP3_TS3 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_1203497849.pdb -s /var/tmp/to_scwrl_1203497849.seq -o /var/tmp/from_scwrl_1203497849.pdb > /var/tmp/scwrl_1203497849.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1203497849.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 376 # copying to AlignedFragments data structure # naming current conformation SP3_TS4 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_1803168783.pdb -s /var/tmp/to_scwrl_1803168783.seq -o /var/tmp/from_scwrl_1803168783.pdb > /var/tmp/scwrl_1803168783.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1803168783.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 376 # copying to AlignedFragments data structure # naming current conformation SP3_TS5 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_1451591187.pdb -s /var/tmp/to_scwrl_1451591187.seq -o /var/tmp/from_scwrl_1451591187.pdb > /var/tmp/scwrl_1451591187.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1451591187.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 375 # copying to AlignedFragments data structure # naming current conformation SP4_TS1 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_685346877.pdb -s /var/tmp/to_scwrl_685346877.seq -o /var/tmp/from_scwrl_685346877.pdb > /var/tmp/scwrl_685346877.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_685346877.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 281 # copying to AlignedFragments data structure # naming current conformation SP4_TS2 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_942778326.pdb -s /var/tmp/to_scwrl_942778326.seq -o /var/tmp/from_scwrl_942778326.pdb > /var/tmp/scwrl_942778326.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_942778326.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 418 # copying to AlignedFragments data structure # naming current conformation SP4_TS3 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_675309023.pdb -s /var/tmp/to_scwrl_675309023.seq -o /var/tmp/from_scwrl_675309023.pdb > /var/tmp/scwrl_675309023.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_675309023.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 380 # copying to AlignedFragments data structure # naming current conformation SP4_TS4 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_1761305144.pdb -s /var/tmp/to_scwrl_1761305144.seq -o /var/tmp/from_scwrl_1761305144.pdb > /var/tmp/scwrl_1761305144.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1761305144.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 419 # copying to AlignedFragments data structure # naming current conformation SP4_TS5 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_687189306.pdb -s /var/tmp/to_scwrl_687189306.seq -o /var/tmp/from_scwrl_687189306.pdb > /var/tmp/scwrl_687189306.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_687189306.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 387 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS1 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_1847521227.pdb -s /var/tmp/to_scwrl_1847521227.seq -o /var/tmp/from_scwrl_1847521227.pdb > /var/tmp/scwrl_1847521227.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1847521227.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 383 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS2 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_37013026.pdb -s /var/tmp/to_scwrl_37013026.seq -o /var/tmp/from_scwrl_37013026.pdb > /var/tmp/scwrl_37013026.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_37013026.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 387 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS3 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_1395394211.pdb -s /var/tmp/to_scwrl_1395394211.seq -o /var/tmp/from_scwrl_1395394211.pdb > /var/tmp/scwrl_1395394211.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1395394211.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 376 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS4 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_676308984.pdb -s /var/tmp/to_scwrl_676308984.seq -o /var/tmp/from_scwrl_676308984.pdb > /var/tmp/scwrl_676308984.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_676308984.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 380 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS5 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_1393687881.pdb -s /var/tmp/to_scwrl_1393687881.seq -o /var/tmp/from_scwrl_1393687881.pdb > /var/tmp/scwrl_1393687881.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1393687881.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 T0310 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS1 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_1496735337.pdb -s /var/tmp/to_scwrl_1496735337.seq -o /var/tmp/from_scwrl_1496735337.pdb > /var/tmp/scwrl_1496735337.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1496735337.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 T0310 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS2 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_1858100480.pdb -s /var/tmp/to_scwrl_1858100480.seq -o /var/tmp/from_scwrl_1858100480.pdb > /var/tmp/scwrl_1858100480.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1858100480.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 T0310 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS3 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_129956703.pdb -s /var/tmp/to_scwrl_129956703.seq -o /var/tmp/from_scwrl_129956703.pdb > /var/tmp/scwrl_129956703.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_129956703.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 T0310 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS4 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_485226454.pdb -s /var/tmp/to_scwrl_485226454.seq -o /var/tmp/from_scwrl_485226454.pdb > /var/tmp/scwrl_485226454.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_485226454.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 T0310 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS5 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_802883940.pdb -s /var/tmp/to_scwrl_802883940.seq -o /var/tmp/from_scwrl_802883940.pdb > /var/tmp/scwrl_802883940.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_802883940.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 T0310 can't currently be optimized by undertaker # naming current conformation UNI-EID_expm_TS1 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_2139209172.pdb -s /var/tmp/to_scwrl_2139209172.seq -o /var/tmp/from_scwrl_2139209172.pdb > /var/tmp/scwrl_2139209172.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2139209172.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 T0310 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL1 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_1859518455.pdb -s /var/tmp/to_scwrl_1859518455.seq -o /var/tmp/from_scwrl_1859518455.pdb > /var/tmp/scwrl_1859518455.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1859518455.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 # WARNING: incomplete conformation T0310 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL2 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_912196086.pdb -s /var/tmp/to_scwrl_912196086.seq -o /var/tmp/from_scwrl_912196086.pdb > /var/tmp/scwrl_912196086.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_912196086.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 T0310 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL3 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_362666655.pdb -s /var/tmp/to_scwrl_362666655.seq -o /var/tmp/from_scwrl_362666655.pdb > /var/tmp/scwrl_362666655.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_362666655.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 T0310 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL4 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_1898070249.pdb -s /var/tmp/to_scwrl_1898070249.seq -o /var/tmp/from_scwrl_1898070249.pdb > /var/tmp/scwrl_1898070249.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1898070249.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 # WARNING: incomplete conformation T0310 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL5 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_987807852.pdb -s /var/tmp/to_scwrl_987807852.seq -o /var/tmp/from_scwrl_987807852.pdb > /var/tmp/scwrl_987807852.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_987807852.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 423 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS1 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_746811001.pdb -s /var/tmp/to_scwrl_746811001.seq -o /var/tmp/from_scwrl_746811001.pdb > /var/tmp/scwrl_746811001.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_746811001.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 422 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS2 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_444557909.pdb -s /var/tmp/to_scwrl_444557909.seq -o /var/tmp/from_scwrl_444557909.pdb > /var/tmp/scwrl_444557909.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_444557909.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 424 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS3 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_538775102.pdb -s /var/tmp/to_scwrl_538775102.seq -o /var/tmp/from_scwrl_538775102.pdb > /var/tmp/scwrl_538775102.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_538775102.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 422 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS4 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_312523016.pdb -s /var/tmp/to_scwrl_312523016.seq -o /var/tmp/from_scwrl_312523016.pdb > /var/tmp/scwrl_312523016.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_312523016.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 375 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS5 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_316375486.pdb -s /var/tmp/to_scwrl_316375486.seq -o /var/tmp/from_scwrl_316375486.pdb > /var/tmp/scwrl_316375486.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_316375486.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 # WARNING: incomplete conformation T0310 can't currently be optimized by undertaker # naming current conformation beautshot_TS1 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_768859725.pdb -s /var/tmp/to_scwrl_768859725.seq -o /var/tmp/from_scwrl_768859725.pdb > /var/tmp/scwrl_768859725.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_768859725.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 T0310 can't currently be optimized by undertaker # naming current conformation beautshotbase_TS1 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_1224025176.pdb -s /var/tmp/to_scwrl_1224025176.seq -o /var/tmp/from_scwrl_1224025176.pdb > /var/tmp/scwrl_1224025176.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1224025176.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 T0310 can't currently be optimized by undertaker # naming current conformation forecast-s_AL1 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_1519873335.pdb -s /var/tmp/to_scwrl_1519873335.seq -o /var/tmp/from_scwrl_1519873335.pdb > /var/tmp/scwrl_1519873335.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1519873335.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 T0310 can't currently be optimized by undertaker # naming current conformation forecast-s_AL2 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_424544862.pdb -s /var/tmp/to_scwrl_424544862.seq -o /var/tmp/from_scwrl_424544862.pdb > /var/tmp/scwrl_424544862.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_424544862.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 Skipped atom 246, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 248, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 250, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 252, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 926, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 928, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 930, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 932, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 1474, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 1476, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 1478, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 1480, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz # WARNING: incomplete conformation T0310 can't currently be optimized by undertaker # naming current conformation forecast-s_AL3 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_528132717.pdb -s /var/tmp/to_scwrl_528132717.seq -o /var/tmp/from_scwrl_528132717.pdb > /var/tmp/scwrl_528132717.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_528132717.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 T0310 can't currently be optimized by undertaker # naming current conformation forecast-s_AL4 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_57736566.pdb -s /var/tmp/to_scwrl_57736566.seq -o /var/tmp/from_scwrl_57736566.pdb > /var/tmp/scwrl_57736566.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_57736566.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 T0310 can't currently be optimized by undertaker # naming current conformation forecast-s_AL5 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_1367323187.pdb -s /var/tmp/to_scwrl_1367323187.seq -o /var/tmp/from_scwrl_1367323187.pdb > /var/tmp/scwrl_1367323187.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1367323187.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 T0310 can't currently be optimized by undertaker # naming current conformation gtg_AL1 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_1203441739.pdb -s /var/tmp/to_scwrl_1203441739.seq -o /var/tmp/from_scwrl_1203441739.pdb > /var/tmp/scwrl_1203441739.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1203441739.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 # WARNING: incomplete conformation T0310 can't currently be optimized by undertaker # naming current conformation gtg_AL2 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_1819041710.pdb -s /var/tmp/to_scwrl_1819041710.seq -o /var/tmp/from_scwrl_1819041710.pdb > /var/tmp/scwrl_1819041710.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1819041710.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 T0310 can't currently be optimized by undertaker # naming current conformation gtg_AL3 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_2054512494.pdb -s /var/tmp/to_scwrl_2054512494.seq -o /var/tmp/from_scwrl_2054512494.pdb > /var/tmp/scwrl_2054512494.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2054512494.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 T0310 can't currently be optimized by undertaker # naming current conformation gtg_AL4 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_903479320.pdb -s /var/tmp/to_scwrl_903479320.seq -o /var/tmp/from_scwrl_903479320.pdb > /var/tmp/scwrl_903479320.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_903479320.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 T0310 can't currently be optimized by undertaker # naming current conformation gtg_AL5 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_1856054736.pdb -s /var/tmp/to_scwrl_1856054736.seq -o /var/tmp/from_scwrl_1856054736.pdb > /var/tmp/scwrl_1856054736.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1856054736.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 375 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS1 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_1302423058.pdb -s /var/tmp/to_scwrl_1302423058.seq -o /var/tmp/from_scwrl_1302423058.pdb > /var/tmp/scwrl_1302423058.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1302423058.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 387 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS2 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_1579788304.pdb -s /var/tmp/to_scwrl_1579788304.seq -o /var/tmp/from_scwrl_1579788304.pdb > /var/tmp/scwrl_1579788304.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1579788304.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 400 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS3 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_1102258971.pdb -s /var/tmp/to_scwrl_1102258971.seq -o /var/tmp/from_scwrl_1102258971.pdb > /var/tmp/scwrl_1102258971.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1102258971.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 370 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS4 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_651674749.pdb -s /var/tmp/to_scwrl_651674749.seq -o /var/tmp/from_scwrl_651674749.pdb > /var/tmp/scwrl_651674749.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_651674749.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 412 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS5 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_1290405137.pdb -s /var/tmp/to_scwrl_1290405137.seq -o /var/tmp/from_scwrl_1290405137.pdb > /var/tmp/scwrl_1290405137.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1290405137.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: (T0310)M186.O and (T0310)I187.N only 0.000 apart, marking (T0310)I187.N as missing # WARNING: incomplete conformation T0310 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 383 ; scwrl3 -i /var/tmp/to_scwrl_1232215674.pdb -s /var/tmp/to_scwrl_1232215674.seq -o /var/tmp/from_scwrl_1232215674.pdb > /var/tmp/scwrl_1232215674.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1232215674.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 # Found a chain break before 422 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS2 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_1136901202.pdb -s /var/tmp/to_scwrl_1136901202.seq -o /var/tmp/from_scwrl_1136901202.pdb > /var/tmp/scwrl_1136901202.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1136901202.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 WARNING: atoms too close: (T0310)R257.O and (T0310)D258.N only 0.000 apart, marking (T0310)D258.N as missing WARNING: atoms too close: (T0310)L411.O and (T0310)K412.N only 0.000 apart, marking (T0310)K412.N as missing # WARNING: incomplete conformation T0310 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS3 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_2093289077.pdb -s /var/tmp/to_scwrl_2093289077.seq -o /var/tmp/from_scwrl_2093289077.pdb > /var/tmp/scwrl_2093289077.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2093289077.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: (T0310)D360.O and (T0310)G361.N only 0.000 apart, marking (T0310)G361.N as missing WARNING: atoms too close: (T0310)G409.O and (T0310)S410.N only 0.000 apart, marking (T0310)S410.N as missing WARNING: atoms too close: (T0310)P421.O and (T0310)Q422.N only 0.000 apart, marking (T0310)Q422.N as missing # WARNING: incomplete conformation T0310 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 383 ; scwrl3 -i /var/tmp/to_scwrl_1223941199.pdb -s /var/tmp/to_scwrl_1223941199.seq -o /var/tmp/from_scwrl_1223941199.pdb > /var/tmp/scwrl_1223941199.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1223941199.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: (T0310)I191.O and (T0310)P192.N only 0.000 apart, marking (T0310)P192.N as missing # WARNING: incomplete conformation T0310 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 383 ; scwrl3 -i /var/tmp/to_scwrl_848936011.pdb -s /var/tmp/to_scwrl_848936011.seq -o /var/tmp/from_scwrl_848936011.pdb > /var/tmp/scwrl_848936011.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_848936011.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 # WARNING: incomplete conformation T0310 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS1 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_858001516.pdb -s /var/tmp/to_scwrl_858001516.seq -o /var/tmp/from_scwrl_858001516.pdb > /var/tmp/scwrl_858001516.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_858001516.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 T0310 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS2 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_1586607854.pdb -s /var/tmp/to_scwrl_1586607854.seq -o /var/tmp/from_scwrl_1586607854.pdb > /var/tmp/scwrl_1586607854.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1586607854.pdb # conformation set from SCWRL output # naming current conformation karypis.srv_TS2-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0310 can't currently be optimized by undertaker # naming current conformation keasar-server_TS1 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_599522613.pdb -s /var/tmp/to_scwrl_599522613.seq -o /var/tmp/from_scwrl_599522613.pdb > /var/tmp/scwrl_599522613.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_599522613.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS1-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0310 can't currently be optimized by undertaker # naming current conformation keasar-server_TS2 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_1845809368.pdb -s /var/tmp/to_scwrl_1845809368.seq -o /var/tmp/from_scwrl_1845809368.pdb > /var/tmp/scwrl_1845809368.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1845809368.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS2-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0310 can't currently be optimized by undertaker # naming current conformation keasar-server_TS3 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_185935209.pdb -s /var/tmp/to_scwrl_185935209.seq -o /var/tmp/from_scwrl_185935209.pdb > /var/tmp/scwrl_185935209.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_185935209.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS3-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0310 can't currently be optimized by undertaker # naming current conformation keasar-server_TS4 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_1044080523.pdb -s /var/tmp/to_scwrl_1044080523.seq -o /var/tmp/from_scwrl_1044080523.pdb > /var/tmp/scwrl_1044080523.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1044080523.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS4-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0310 can't currently be optimized by undertaker # naming current conformation keasar-server_TS5 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_237100823.pdb -s /var/tmp/to_scwrl_237100823.seq -o /var/tmp/from_scwrl_237100823.pdb > /var/tmp/scwrl_237100823.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_237100823.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS5-scwrl # ReadConformPDB reading from PDB file servers/mGen-3D_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0310 can't currently be optimized by undertaker # naming current conformation mGen-3D_TS1 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_498458225.pdb -s /var/tmp/to_scwrl_498458225.seq -o /var/tmp/from_scwrl_498458225.pdb > /var/tmp/scwrl_498458225.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_498458225.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 T0310 can't currently be optimized by undertaker # naming current conformation nFOLD_TS1 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_1360456008.pdb -s /var/tmp/to_scwrl_1360456008.seq -o /var/tmp/from_scwrl_1360456008.pdb > /var/tmp/scwrl_1360456008.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1360456008.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 T0310 can't currently be optimized by undertaker # naming current conformation nFOLD_TS2 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_1005960548.pdb -s /var/tmp/to_scwrl_1005960548.seq -o /var/tmp/from_scwrl_1005960548.pdb > /var/tmp/scwrl_1005960548.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1005960548.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 T0310 can't currently be optimized by undertaker # naming current conformation nFOLD_TS3 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_1722483402.pdb -s /var/tmp/to_scwrl_1722483402.seq -o /var/tmp/from_scwrl_1722483402.pdb > /var/tmp/scwrl_1722483402.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1722483402.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 T0310 can't currently be optimized by undertaker # naming current conformation nFOLD_TS4 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_732845697.pdb -s /var/tmp/to_scwrl_732845697.seq -o /var/tmp/from_scwrl_732845697.pdb > /var/tmp/scwrl_732845697.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_732845697.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 T0310 can't currently be optimized by undertaker # naming current conformation nFOLD_TS5 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_1430505409.pdb -s /var/tmp/to_scwrl_1430505409.seq -o /var/tmp/from_scwrl_1430505409.pdb > /var/tmp/scwrl_1430505409.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1430505409.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 T0310 can't currently be optimized by undertaker # naming current conformation panther2_TS1 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_103132472.pdb -s /var/tmp/to_scwrl_103132472.seq -o /var/tmp/from_scwrl_103132472.pdb > /var/tmp/scwrl_103132472.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_103132472.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 # WARNING: incomplete conformation T0310 can't currently be optimized by undertaker # naming current conformation shub_TS1 # request to SCWRL produces command: ulimit -t 383 ; scwrl3 -i /var/tmp/to_scwrl_790582263.pdb -s /var/tmp/to_scwrl_790582263.seq -o /var/tmp/from_scwrl_790582263.pdb > /var/tmp/scwrl_790582263.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_790582263.pdb # conformation set from SCWRL output # naming current conformation shub_TS1-scwrl # command:CPU_time= 112.799 sec, elapsed time= 1145.81 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 = 18.8022 shub_TS1 costs 0 real_cost = 25.7285 panther2_TS1-scwrl costs 0 real_cost = -113.834 panther2_TS1 costs 0 real_cost = -116.474 nFOLD_TS5-scwrl costs 0 real_cost = 95.5061 nFOLD_TS5 costs 0 real_cost = 308.522 nFOLD_TS4-scwrl costs 0 real_cost = 206.818 nFOLD_TS4 costs 0 real_cost = 391.476 nFOLD_TS3-scwrl costs 0 real_cost = 71.3715 nFOLD_TS3 costs 0 real_cost = 295.204 nFOLD_TS2-scwrl costs 0 real_cost = 72.6517 nFOLD_TS2 costs 0 real_cost = 287.462 nFOLD_TS1-scwrl costs 0 real_cost = -69.8341 nFOLD_TS1 costs 0 real_cost = 148.59 mGen-3D_TS1-scwrl costs 0 real_cost = -89.2601 mGen-3D_TS1 costs 0 real_cost = 123.149 keasar-server_TS5-scwrl costs 0 real_cost = 69.0453 keasar-server_TS5 costs 0 real_cost = 81.5844 keasar-server_TS4-scwrl costs 0 real_cost = 65.4278 keasar-server_TS4 costs 0 real_cost = 74.0175 keasar-server_TS3-scwrl costs 0 real_cost = 72.6163 keasar-server_TS3 costs 0 real_cost = 76.0208 keasar-server_TS2-scwrl costs 0 real_cost = 68.5727 keasar-server_TS2 costs 0 real_cost = 71.2059 keasar-server_TS1-scwrl costs 0 real_cost = 64.044 keasar-server_TS1 costs 0 real_cost = 62.1523 karypis.srv_TS2-scwrl costs 0 real_cost = 71.2573 karypis.srv_TS2 costs 0 real_cost = 70.1453 karypis.srv_TS1-scwrl costs 0 real_cost = 77.5196 karypis.srv_TS1 costs 0 real_cost = 76.7648 karypis.srv.4_TS5-scwrl costs 0 real_cost = 354.221 karypis.srv.4_TS5 costs 0 real_cost = 354.118 karypis.srv.4_TS4-scwrl costs 0 real_cost = 325.729 karypis.srv.4_TS4 costs 0 real_cost = 326.23 karypis.srv.4_TS3-scwrl costs 0 real_cost = 347.009 karypis.srv.4_TS3 costs 0 real_cost = 347.01 karypis.srv.4_TS2-scwrl costs 0 real_cost = 316.945 karypis.srv.4_TS2 costs 0 real_cost = 316.808 karypis.srv.4_TS1-scwrl costs 0 real_cost = 330.306 karypis.srv.4_TS1 costs 0 real_cost = 330.5 karypis.srv.2_TS5-scwrl costs 0 real_cost = 30.1309 karypis.srv.2_TS5 costs 0 real_cost = 30.1309 karypis.srv.2_TS4-scwrl costs 0 real_cost = 54.6582 karypis.srv.2_TS4 costs 0 real_cost = 54.6596 karypis.srv.2_TS3-scwrl costs 0 real_cost = 59.2931 karypis.srv.2_TS3 costs 0 real_cost = 59.0579 karypis.srv.2_TS2-scwrl costs 0 real_cost = 46.9151 karypis.srv.2_TS2 costs 0 real_cost = 46.9151 karypis.srv.2_TS1-scwrl costs 0 real_cost = -95.552 karypis.srv.2_TS1 costs 0 real_cost = -95.552 gtg_AL5-scwrl costs 0 real_cost = 620.152 gtg_AL5 costs 0 real_cost = 701.657 gtg_AL4-scwrl costs 0 real_cost = 617.243 gtg_AL4 costs 0 real_cost = 699.77 gtg_AL3-scwrl costs 0 real_cost = 621.754 gtg_AL3 costs 0 real_cost = 701.348 gtg_AL2-scwrl costs 0 real_cost = 531.883 gtg_AL2 costs 0 real_cost = 607.567 gtg_AL1-scwrl costs 0 real_cost = 145.064 gtg_AL1 costs 0 real_cost = 383.205 forecast-s_AL5-scwrl costs 0 real_cost = 94.7262 forecast-s_AL5 costs 0 real_cost = 369.192 forecast-s_AL4-scwrl costs 0 real_cost = 119.261 forecast-s_AL4 costs 0 real_cost = 399.185 forecast-s_AL3-scwrl costs 0 real_cost = 102.183 forecast-s_AL3 costs 0 real_cost = 368.989 forecast-s_AL2-scwrl costs 0 real_cost = 101.22 forecast-s_AL2 costs 0 real_cost = 374.315 forecast-s_AL1-scwrl costs 0 real_cost = -68.439 forecast-s_AL1 costs 0 real_cost = 207.14 beautshotbase_TS1-scwrl costs 0 real_cost = 68.5168 beautshotbase_TS1 costs 0 real_cost = 71.8815 beautshot_TS1-scwrl costs 0 real_cost = 32.178 beautshot_TS1 costs 0 real_cost = 35.7489 Zhang-Server_TS5-scwrl costs 0 real_cost = -110.204 Zhang-Server_TS5 costs 0 real_cost = -104.682 Zhang-Server_TS4-scwrl costs 0 real_cost = -3.08896 Zhang-Server_TS4 costs 0 real_cost = 4.8808 Zhang-Server_TS3-scwrl costs 0 real_cost = -111 Zhang-Server_TS3 costs 0 real_cost = -104.687 Zhang-Server_TS2-scwrl costs 0 real_cost = -130.117 Zhang-Server_TS2 costs 0 real_cost = -124.485 Zhang-Server_TS1-scwrl costs 0 real_cost = -133.559 Zhang-Server_TS1 costs 0 real_cost = -126.327 UNI-EID_sfst_AL5-scwrl costs 0 real_cost = 160.073 UNI-EID_sfst_AL5 costs 0 real_cost = 386.411 UNI-EID_sfst_AL4-scwrl costs 0 real_cost = 96.8357 UNI-EID_sfst_AL4 costs 0 real_cost = 355.14 UNI-EID_sfst_AL3-scwrl costs 0 real_cost = 158.351 UNI-EID_sfst_AL3 costs 0 real_cost = 406.372 UNI-EID_sfst_AL2-scwrl costs 0 real_cost = 124.273 UNI-EID_sfst_AL2 costs 0 real_cost = 366.981 UNI-EID_sfst_AL1-scwrl costs 0 real_cost = -101.439 UNI-EID_sfst_AL1 costs 0 real_cost = 182.141 UNI-EID_expm_TS1-scwrl costs 0 real_cost = -91.8673 UNI-EID_expm_TS1 costs 0 real_cost = 138.576 UNI-EID_bnmx_TS5-scwrl costs 0 real_cost = 123.883 UNI-EID_bnmx_TS5 costs 0 real_cost = 366.355 UNI-EID_bnmx_TS4-scwrl costs 0 real_cost = 70.9957 UNI-EID_bnmx_TS4 costs 0 real_cost = 357.98 UNI-EID_bnmx_TS3-scwrl costs 0 real_cost = 141.988 UNI-EID_bnmx_TS3 costs 0 real_cost = 397.054 UNI-EID_bnmx_TS2-scwrl costs 0 real_cost = 129.401 UNI-EID_bnmx_TS2 costs 0 real_cost = 374.808 UNI-EID_bnmx_TS1-scwrl costs 0 real_cost = -104.725 UNI-EID_bnmx_TS1 costs 0 real_cost = 179.792 SPARKS2_TS5-scwrl costs 0 real_cost = 50.4847 SPARKS2_TS5 costs 0 real_cost = 56.8905 SPARKS2_TS4-scwrl costs 0 real_cost = 70.7256 SPARKS2_TS4 costs 0 real_cost = 70.7431 SPARKS2_TS3-scwrl costs 0 real_cost = 66.367 SPARKS2_TS3 costs 0 real_cost = 71.8888 SPARKS2_TS2-scwrl costs 0 real_cost = 44.5571 SPARKS2_TS2 costs 0 real_cost = 47.3299 SPARKS2_TS1-scwrl costs 0 real_cost = -67.6126 SPARKS2_TS1 costs 0 real_cost = -63.1924 SP4_TS5-scwrl costs 0 real_cost = 60.7608 SP4_TS5 costs 0 real_cost = 64.5836 SP4_TS4-scwrl costs 0 real_cost = 46.0432 SP4_TS4 costs 0 real_cost = 50.9678 SP4_TS3-scwrl costs 0 real_cost = 30.3197 SP4_TS3 costs 0 real_cost = 34.2226 SP4_TS2-scwrl costs 0 real_cost = 54.3587 SP4_TS2 costs 0 real_cost = 57.0727 SP4_TS1-scwrl costs 0 real_cost = -82.0929 SP4_TS1 costs 0 real_cost = -76.3403 SP3_TS5-scwrl costs 0 real_cost = 48.0452 SP3_TS5 costs 0 real_cost = 53.3872 SP3_TS4-scwrl costs 0 real_cost = 61.8693 SP3_TS4 costs 0 real_cost = 67.1378 SP3_TS3-scwrl costs 0 real_cost = 74.7089 SP3_TS3 costs 0 real_cost = 74.8348 SP3_TS2-scwrl costs 0 real_cost = 20.8944 SP3_TS2 costs 0 real_cost = 24.7387 SP3_TS1-scwrl costs 0 real_cost = -82.0929 SP3_TS1 costs 0 real_cost = -76.3403 SAM_T06_server_TS5-scwrl costs 0 real_cost = 177.384 SAM_T06_server_TS5 costs 0 real_cost = 140.671 SAM_T06_server_TS4-scwrl costs 0 real_cost = 120.831 SAM_T06_server_TS4 costs 0 real_cost = 88.1988 SAM_T06_server_TS3-scwrl costs 0 real_cost = 155.001 SAM_T06_server_TS3 costs 0 real_cost = 114.162 SAM_T06_server_TS2-scwrl costs 0 real_cost = 88.3005 SAM_T06_server_TS2 costs 0 real_cost = 7.48399 SAM_T06_server_TS1-scwrl costs 0 real_cost = -65.7641 SAM_T06_server_TS1 costs 0 real_cost = -65.7788 SAM-T99_AL5-scwrl costs 0 real_cost = 132.71 SAM-T99_AL5 costs 0 real_cost = 380.37 SAM-T99_AL4-scwrl costs 0 real_cost = -98.9219 SAM-T99_AL4 costs 0 real_cost = 179.452 SAM-T99_AL3-scwrl costs 0 real_cost = 143.274 SAM-T99_AL3 costs 0 real_cost = 385.12 SAM-T99_AL2-scwrl costs 0 real_cost = 145.552 SAM-T99_AL2 costs 0 real_cost = 382.202 SAM-T99_AL1-scwrl costs 0 real_cost = 146.457 SAM-T99_AL1 costs 0 real_cost = 401.429 SAM-T02_AL5-scwrl costs 0 real_cost = 136.907 SAM-T02_AL5 costs 0 real_cost = 406.966 SAM-T02_AL4-scwrl costs 0 real_cost = 142.568 SAM-T02_AL4 costs 0 real_cost = 409.628 SAM-T02_AL3-scwrl costs 0 real_cost = 131.903 SAM-T02_AL3 costs 0 real_cost = 400.537 SAM-T02_AL2-scwrl costs 0 real_cost = 141.292 SAM-T02_AL2 costs 0 real_cost = 418.765 SAM-T02_AL1-scwrl costs 0 real_cost = -86.0311 SAM-T02_AL1 costs 0 real_cost = 200.841 ROKKY_TS5-scwrl costs 0 real_cost = 59.9932 ROKKY_TS5 costs 0 real_cost = 65.7357 ROKKY_TS4-scwrl costs 0 real_cost = 40.4584 ROKKY_TS4 costs 0 real_cost = 42.7123 ROKKY_TS3-scwrl costs 0 real_cost = 59.8779 ROKKY_TS3 costs 0 real_cost = 57.3996 ROKKY_TS2-scwrl costs 0 real_cost = 51.4836 ROKKY_TS2 costs 0 real_cost = 54.3926 ROKKY_TS1-scwrl costs 0 real_cost = -106.303 ROKKY_TS1 costs 0 real_cost = -103.231 ROBETTA_TS5-scwrl costs 0 real_cost = 17.6504 ROBETTA_TS5 costs 0 real_cost = 17.7541 ROBETTA_TS4-scwrl costs 0 real_cost = 13.2201 ROBETTA_TS4 costs 0 real_cost = 15.154 ROBETTA_TS3-scwrl costs 0 real_cost = 21.2782 ROBETTA_TS3 costs 0 real_cost = 22.1126 ROBETTA_TS2-scwrl costs 0 real_cost = 40.7369 ROBETTA_TS2 costs 0 real_cost = 44.338 ROBETTA_TS1-scwrl costs 0 real_cost = 40.0669 ROBETTA_TS1 costs 0 real_cost = 40.7394 RAPTOR_TS5-scwrl costs 0 real_cost = 121.386 RAPTOR_TS5 costs 0 real_cost = 118.662 RAPTOR_TS4-scwrl costs 0 real_cost = 119.021 RAPTOR_TS4 costs 0 real_cost = 125.967 RAPTOR_TS3-scwrl costs 0 real_cost = 60.2975 RAPTOR_TS3 costs 0 real_cost = 66.8175 RAPTOR_TS2-scwrl costs 0 real_cost = 48.1225 RAPTOR_TS2 costs 0 real_cost = 53.2156 RAPTOR_TS1-scwrl costs 0 real_cost = -105.123 RAPTOR_TS1 costs 0 real_cost = -97.312 RAPTORESS_TS5-scwrl costs 0 real_cost = 133.578 RAPTORESS_TS5 costs 0 real_cost = 134.147 RAPTORESS_TS4-scwrl costs 0 real_cost = 117.85 RAPTORESS_TS4 costs 0 real_cost = 124.597 RAPTORESS_TS3-scwrl costs 0 real_cost = 77.8855 RAPTORESS_TS3 costs 0 real_cost = 79.0769 RAPTORESS_TS2-scwrl costs 0 real_cost = 55.8312 RAPTORESS_TS2 costs 0 real_cost = 61.5427 RAPTORESS_TS1-scwrl costs 0 real_cost = -109.058 RAPTORESS_TS1 costs 0 real_cost = -103.422 RAPTOR-ACE_TS5-scwrl costs 0 real_cost = 69.627 RAPTOR-ACE_TS5 costs 0 real_cost = 71.9573 RAPTOR-ACE_TS4-scwrl costs 0 real_cost = 40.5055 RAPTOR-ACE_TS4 costs 0 real_cost = 45.379 RAPTOR-ACE_TS3-scwrl costs 0 real_cost = 77.0353 RAPTOR-ACE_TS3 costs 0 real_cost = 77.6065 RAPTOR-ACE_TS2-scwrl costs 0 real_cost = 82.892 RAPTOR-ACE_TS2 costs 0 real_cost = 88.6689 RAPTOR-ACE_TS1-scwrl costs 0 real_cost = 60.3487 RAPTOR-ACE_TS1 costs 0 real_cost = 62.2191 Pmodeller6_TS5-scwrl costs 0 real_cost = -125.533 Pmodeller6_TS5 costs 0 real_cost = -124.994 Pmodeller6_TS4-scwrl costs 0 real_cost = -115.982 Pmodeller6_TS4 costs 0 real_cost = -119.021 Pmodeller6_TS3-scwrl costs 0 real_cost = -94.4662 Pmodeller6_TS3 costs 0 real_cost = -97.777 Pmodeller6_TS2-scwrl costs 0 real_cost = -94.6991 Pmodeller6_TS2 costs 0 real_cost = -99.093 Pmodeller6_TS1-scwrl costs 0 real_cost = -110.824 Pmodeller6_TS1 costs 0 real_cost = -113.408 Phyre-2_TS5-scwrl costs 0 real_cost = 46.7048 Phyre-2_TS5 costs 0 real_cost = 45.3295 Phyre-2_TS4-scwrl costs 0 real_cost = 45.207 Phyre-2_TS4 costs 0 real_cost = 43.7525 Phyre-2_TS3-scwrl costs 0 real_cost = 56.9606 Phyre-2_TS3 costs 0 real_cost = 56.2996 Phyre-2_TS2-scwrl costs 0 real_cost = 61.5007 Phyre-2_TS2 costs 0 real_cost = 61.8283 Phyre-2_TS1-scwrl costs 0 real_cost = 45.8613 Phyre-2_TS1 costs 0 real_cost = 43.8887 Phyre-1_TS1-scwrl costs 0 real_cost = 91.7149 Phyre-1_TS1 costs 0 real_cost = 86.2234 Pcons6_TS5-scwrl costs 0 real_cost = 60.2187 Pcons6_TS5 costs 0 real_cost = 57.6098 Pcons6_TS4-scwrl costs 0 real_cost = 71.1029 Pcons6_TS4 costs 0 real_cost = 71.0537 Pcons6_TS3-scwrl costs 0 real_cost = 67.5717 Pcons6_TS3 costs 0 real_cost = 64.6886 Pcons6_TS2-scwrl costs 0 real_cost = 72.4666 Pcons6_TS2 costs 0 real_cost = 69.6338 Pcons6_TS1-scwrl costs 0 real_cost = 74.1456 Pcons6_TS1 costs 0 real_cost = 71.5098 PROTINFO_TS5-scwrl costs 0 real_cost = 76.5687 PROTINFO_TS5 costs 0 real_cost = 77.4869 PROTINFO_TS4-scwrl costs 0 real_cost = 72.68 PROTINFO_TS4 costs 0 real_cost = 77.2435 PROTINFO_TS3-scwrl costs 0 real_cost = 75.3062 PROTINFO_TS3 costs 0 real_cost = 79.2353 PROTINFO_TS2-scwrl costs 0 real_cost = 76.7958 PROTINFO_TS2 costs 0 real_cost = 72.2754 PROTINFO_TS1-scwrl costs 0 real_cost = 76.5792 PROTINFO_TS1 costs 0 real_cost = 73.8664 PROTINFO-AB_TS5-scwrl costs 0 real_cost = 69.6198 PROTINFO-AB_TS5 costs 0 real_cost = 75.6402 PROTINFO-AB_TS4-scwrl costs 0 real_cost = 67.9669 PROTINFO-AB_TS4 costs 0 real_cost = 66.8846 PROTINFO-AB_TS3-scwrl costs 0 real_cost = 59.9052 PROTINFO-AB_TS3 costs 0 real_cost = 65.3947 PROTINFO-AB_TS2-scwrl costs 0 real_cost = 35.4618 PROTINFO-AB_TS2 costs 0 real_cost = 35.428 PROTINFO-AB_TS1-scwrl costs 0 real_cost = 44.8233 PROTINFO-AB_TS1 costs 0 real_cost = 52.9932 NN_PUT_lab_TS1-scwrl costs 0 real_cost = -82.0929 NN_PUT_lab_TS1 costs 0 real_cost = -76.3403 MetaTasser_TS5-scwrl costs 0 real_cost = 66.5053 MetaTasser_TS5 costs 0 real_cost = 63.5706 MetaTasser_TS4-scwrl costs 0 real_cost = 6.24723 MetaTasser_TS4 costs 0 real_cost = 14.62 MetaTasser_TS3-scwrl costs 0 real_cost = 117.797 MetaTasser_TS3 costs 0 real_cost = 118.625 MetaTasser_TS2-scwrl costs 0 real_cost = 71.957 MetaTasser_TS2 costs 0 real_cost = 70.8677 MetaTasser_TS1-scwrl costs 0 real_cost = 95.9231 MetaTasser_TS1 costs 0 real_cost = 102.363 Ma-OPUS-server_TS5-scwrl costs 0 real_cost = 50.2667 Ma-OPUS-server_TS5 costs 0 real_cost = 52.1337 Ma-OPUS-server_TS4-scwrl costs 0 real_cost = 48.3132 Ma-OPUS-server_TS4 costs 0 real_cost = 51.181 Ma-OPUS-server_TS3-scwrl costs 0 real_cost = 38.4171 Ma-OPUS-server_TS3 costs 0 real_cost = 41.7211 Ma-OPUS-server_TS2-scwrl costs 0 real_cost = 19.2585 Ma-OPUS-server_TS2 costs 0 real_cost = 20.4541 Ma-OPUS-server_TS1-scwrl costs 0 real_cost = -112.586 Ma-OPUS-server_TS1 costs 0 real_cost = -105.209 LOOPP_TS5-scwrl costs 0 real_cost = 144.774 LOOPP_TS5 costs 0 real_cost = 147.971 LOOPP_TS4-scwrl costs 0 real_cost = 131.725 LOOPP_TS4 costs 0 real_cost = 136.01 LOOPP_TS3-scwrl costs 0 real_cost = 87.5593 LOOPP_TS3 costs 0 real_cost = 94.2401 LOOPP_TS2-scwrl costs 0 real_cost = 77.722 LOOPP_TS2 costs 0 real_cost = 83.4819 LOOPP_TS1-scwrl costs 0 real_cost = -100.635 LOOPP_TS1 costs 0 real_cost = -97.3418 Huber-Torda-Server_TS5-scwrl costs 0 real_cost = 356.999 Huber-Torda-Server_TS5 costs 0 real_cost = 506.792 Huber-Torda-Server_TS4-scwrl costs 0 real_cost = 215.502 Huber-Torda-Server_TS4 costs 0 real_cost = 385.699 Huber-Torda-Server_TS3-scwrl costs 0 real_cost = 307.051 Huber-Torda-Server_TS3 costs 0 real_cost = 487.402 Huber-Torda-Server_TS2-scwrl costs 0 real_cost = 131.371 Huber-Torda-Server_TS2 costs 0 real_cost = 317.339 Huber-Torda-Server_TS1-scwrl costs 0 real_cost = -88.5871 Huber-Torda-Server_TS1 costs 0 real_cost = 118.392 HHpred3_TS1-scwrl costs 0 real_cost = 36.253 HHpred3_TS1 costs 0 real_cost = 34.846 HHpred2_TS1-scwrl costs 0 real_cost = 46.0356 HHpred2_TS1 costs 0 real_cost = 40.2875 HHpred1_TS1-scwrl costs 0 real_cost = 46.0356 HHpred1_TS1 costs 0 real_cost = 40.2875 GeneSilicoMetaServer_TS1-scwrl costs 0 real_cost = 36.3982 GeneSilicoMetaServer_TS1 costs 0 real_cost = 37.4469 FUNCTION_TS5-scwrl costs 0 real_cost = -104.459 FUNCTION_TS5 costs 0 real_cost = -98.2226 FUNCTION_TS4-scwrl costs 0 real_cost = 84.601 FUNCTION_TS4 costs 0 real_cost = 87.6508 FUNCTION_TS3-scwrl costs 0 real_cost = 86.1104 FUNCTION_TS3 costs 0 real_cost = 86.8057 FUNCTION_TS2-scwrl costs 0 real_cost = 61.0256 FUNCTION_TS2 costs 0 real_cost = 64.235 FUNCTION_TS1-scwrl costs 0 real_cost = 84.8314 FUNCTION_TS1 costs 0 real_cost = 88.2903 FUGUE_AL5-scwrl costs 0 real_cost = 274.096 FUGUE_AL5 costs 0 real_cost = 552.212 FUGUE_AL4-scwrl costs 0 real_cost = 836.6 FUGUE_AL4 costs 0 real_cost = 882.38 FUGUE_AL3-scwrl costs 0 real_cost = 159.138 FUGUE_AL3 costs 0 real_cost = 467.426 FUGUE_AL2-scwrl costs 0 real_cost = 160.552 FUGUE_AL2 costs 0 real_cost = 423.673 FUGUE_AL1-scwrl costs 0 real_cost = -101.709 FUGUE_AL1 costs 0 real_cost = 181.298 FUGMOD_TS5-scwrl costs 0 real_cost = 215.844 FUGMOD_TS5 costs 0 real_cost = 214.463 FUGMOD_TS4-scwrl costs 0 real_cost = 838.296 FUGMOD_TS4 costs 0 real_cost = 834.671 FUGMOD_TS3-scwrl costs 0 real_cost = 141.833 FUGMOD_TS3 costs 0 real_cost = 142.376 FUGMOD_TS2-scwrl costs 0 real_cost = 55.2647 FUGMOD_TS2 costs 0 real_cost = 54.1854 FUGMOD_TS1-scwrl costs 0 real_cost = -113.553 FUGMOD_TS1 costs 0 real_cost = -113.98 FPSOLVER-SERVER_TS5-scwrl costs 0 real_cost = 368.351 FPSOLVER-SERVER_TS5 costs 0 real_cost = 371.776 FPSOLVER-SERVER_TS4-scwrl costs 0 real_cost = 373.204 FPSOLVER-SERVER_TS4 costs 0 real_cost = 374.483 FPSOLVER-SERVER_TS3-scwrl costs 0 real_cost = 381.615 FPSOLVER-SERVER_TS3 costs 0 real_cost = 383.212 FPSOLVER-SERVER_TS2-scwrl costs 0 real_cost = 361.999 FPSOLVER-SERVER_TS2 costs 0 real_cost = 366.305 FPSOLVER-SERVER_TS1-scwrl costs 0 real_cost = 371.938 FPSOLVER-SERVER_TS1 costs 0 real_cost = 376.692 FORTE2_AL5-scwrl costs 0 real_cost = 133.011 FORTE2_AL5 costs 0 real_cost = 416.767 FORTE2_AL4-scwrl costs 0 real_cost = 136.488 FORTE2_AL4 costs 0 real_cost = 418.286 FORTE2_AL3-scwrl costs 0 real_cost = 2.54483 FORTE2_AL3 costs 0 real_cost = 294.689 FORTE2_AL2-scwrl costs 0 real_cost = 138.596 FORTE2_AL2 costs 0 real_cost = 421.907 FORTE2_AL1-scwrl costs 0 real_cost = 177.065 FORTE2_AL1 costs 0 real_cost = 423.755 FORTE1_AL5-scwrl costs 0 real_cost = 113.559 FORTE1_AL5 costs 0 real_cost = 396.148 FORTE1_AL4-scwrl costs 0 real_cost = 126.201 FORTE1_AL4 costs 0 real_cost = 408.501 FORTE1_AL3-scwrl costs 0 real_cost = 133.849 FORTE1_AL3 costs 0 real_cost = 419.317 FORTE1_AL2-scwrl costs 0 real_cost = 209.121 FORTE1_AL2 costs 0 real_cost = 458.552 FORTE1_AL1-scwrl costs 0 real_cost = -12.6882 FORTE1_AL1 costs 0 real_cost = 280.611 FOLDpro_TS5-scwrl costs 0 real_cost = 130.526 FOLDpro_TS5 costs 0 real_cost = 137.221 FOLDpro_TS4-scwrl costs 0 real_cost = 162.334 FOLDpro_TS4 costs 0 real_cost = 166.455 FOLDpro_TS3-scwrl costs 0 real_cost = 142.613 FOLDpro_TS3 costs 0 real_cost = 145.138 FOLDpro_TS2-scwrl costs 0 real_cost = -18.3124 FOLDpro_TS2 costs 0 real_cost = -11.6759 FOLDpro_TS1-scwrl costs 0 real_cost = -41.5243 FOLDpro_TS1 costs 0 real_cost = -34.6207 FAMS_TS5-scwrl costs 0 real_cost = -114.282 FAMS_TS5 costs 0 real_cost = -112.584 FAMS_TS4-scwrl costs 0 real_cost = -124.288 FAMS_TS4 costs 0 real_cost = -118.682 FAMS_TS3-scwrl costs 0 real_cost = -118.977 FAMS_TS3 costs 0 real_cost = -118.755 FAMS_TS2-scwrl costs 0 real_cost = -117.429 FAMS_TS2 costs 0 real_cost = -115.464 FAMS_TS1-scwrl costs 0 real_cost = -114.32 FAMS_TS1 costs 0 real_cost = -110.473 FAMSD_TS5-scwrl costs 0 real_cost = -107.283 FAMSD_TS5 costs 0 real_cost = -109.977 FAMSD_TS4-scwrl costs 0 real_cost = -127.073 FAMSD_TS4 costs 0 real_cost = -118.633 FAMSD_TS3-scwrl costs 0 real_cost = -114.282 FAMSD_TS3 costs 0 real_cost = -112.584 FAMSD_TS2-scwrl costs 0 real_cost = -118.977 FAMSD_TS2 costs 0 real_cost = -118.755 FAMSD_TS1-scwrl costs 0 real_cost = -115.989 FAMSD_TS1 costs 0 real_cost = -112.083 Distill_TS5-scwrl costs 0 real_cost = 755.066 Distill_TS4-scwrl costs 0 real_cost = 793.421 Distill_TS3-scwrl costs 0 real_cost = 761.646 Distill_TS2-scwrl costs 0 real_cost = 766.072 Distill_TS1-scwrl costs 0 real_cost = 778.514 CaspIta-FOX_TS5-scwrl costs 0 real_cost = 101.265 CaspIta-FOX_TS5 costs 0 real_cost = 96.6926 CaspIta-FOX_TS4-scwrl costs 0 real_cost = 78.5662 CaspIta-FOX_TS4 costs 0 real_cost = 74.6518 CaspIta-FOX_TS3-scwrl costs 0 real_cost = 79.9011 CaspIta-FOX_TS3 costs 0 real_cost = 77.9565 CaspIta-FOX_TS2-scwrl costs 0 real_cost = -125.4 CaspIta-FOX_TS2 costs 0 real_cost = -127.839 CaspIta-FOX_TS1-scwrl costs 0 real_cost = 107.231 CaspIta-FOX_TS1 costs 0 real_cost = 96.4793 CPHmodels_TS1-scwrl costs 0 real_cost = -85.2602 CPHmodels_TS1 costs 0 real_cost = -90.1745 CIRCLE_TS5-scwrl costs 0 real_cost = -108.578 CIRCLE_TS5 costs 0 real_cost = -106.11 CIRCLE_TS4-scwrl costs 0 real_cost = -97.1846 CIRCLE_TS4 costs 0 real_cost = -98.3432 CIRCLE_TS3-scwrl costs 0 real_cost = -117.429 CIRCLE_TS3 costs 0 real_cost = -115.464 CIRCLE_TS2-scwrl costs 0 real_cost = -124.288 CIRCLE_TS2 costs 0 real_cost = -118.682 CIRCLE_TS1-scwrl costs 0 real_cost = -68.4298 CIRCLE_TS1 costs 0 real_cost = -65.0359 Bilab-ENABLE_TS5-scwrl costs 0 real_cost = -136.86 Bilab-ENABLE_TS5 costs 0 real_cost = -136.86 Bilab-ENABLE_TS4-scwrl costs 0 real_cost = -136.645 Bilab-ENABLE_TS4 costs 0 real_cost = -136.655 Bilab-ENABLE_TS3-scwrl costs 0 real_cost = -135.928 Bilab-ENABLE_TS3 costs 0 real_cost = -135.928 Bilab-ENABLE_TS2-scwrl costs 0 real_cost = -134.864 Bilab-ENABLE_TS2 costs 0 real_cost = -134.864 Bilab-ENABLE_TS1-scwrl costs 0 real_cost = -142.62 Bilab-ENABLE_TS1 costs 0 real_cost = -142.277 BayesHH_TS1-scwrl costs 0 real_cost = 29.7546 BayesHH_TS1 costs 0 real_cost = 32.2595 ABIpro_TS5-scwrl costs 0 real_cost = 308.843 ABIpro_TS5 costs 0 real_cost = 308.899 ABIpro_TS4-scwrl costs 0 real_cost = 269.835 ABIpro_TS4 costs 0 real_cost = 269.832 ABIpro_TS3-scwrl costs 0 real_cost = 290.006 ABIpro_TS3 costs 0 real_cost = 290.439 ABIpro_TS2-scwrl costs 0 real_cost = 294.69 ABIpro_TS2 costs 0 real_cost = 295.248 ABIpro_TS1-scwrl costs 0 real_cost = 270.414 ABIpro_TS1 costs 0 real_cost = 270.231 3Dpro_TS5-scwrl costs 0 real_cost = 160.641 3Dpro_TS5 costs 0 real_cost = 165.611 3Dpro_TS4-scwrl costs 0 real_cost = 81.1915 3Dpro_TS4 costs 0 real_cost = 84.8225 3Dpro_TS3-scwrl costs 0 real_cost = 169.228 3Dpro_TS3 costs 0 real_cost = 174.624 3Dpro_TS2-scwrl costs 0 real_cost = -88.9015 3Dpro_TS2 costs 0 real_cost = -85.3235 3Dpro_TS1-scwrl costs 0 real_cost = -97.9387 3Dpro_TS1 costs 0 real_cost = -94.3236 3D-JIGSAW_TS5-scwrl costs 0 real_cost = 99.6225 3D-JIGSAW_TS5 costs 0 real_cost = 99.4587 3D-JIGSAW_TS4-scwrl costs 0 real_cost = 98.4002 3D-JIGSAW_TS4 costs 0 real_cost = 97.0104 3D-JIGSAW_TS3-scwrl costs 0 real_cost = -107.03 3D-JIGSAW_TS3 costs 0 real_cost = -108.892 3D-JIGSAW_TS2-scwrl costs 0 real_cost = 168.055 3D-JIGSAW_TS2 costs 0 real_cost = 164.292 3D-JIGSAW_TS1-scwrl costs 0 real_cost = 148.845 3D-JIGSAW_TS1 costs 0 real_cost = 143.948 3D-JIGSAW_RECOM_TS5-scwrl costs 0 real_cost = 112.444 3D-JIGSAW_RECOM_TS5 costs 0 real_cost = 118.226 3D-JIGSAW_RECOM_TS4-scwrl costs 0 real_cost = 106.76 3D-JIGSAW_RECOM_TS4 costs 0 real_cost = 99.9103 3D-JIGSAW_RECOM_TS3-scwrl costs 0 real_cost = -107.019 3D-JIGSAW_RECOM_TS3 costs 0 real_cost = -108.834 3D-JIGSAW_RECOM_TS2-scwrl costs 0 real_cost = -106.889 3D-JIGSAW_RECOM_TS2 costs 0 real_cost = -108.725 3D-JIGSAW_RECOM_TS1-scwrl costs 0 real_cost = -101.567 3D-JIGSAW_RECOM_TS1 costs 0 real_cost = -102.171 3D-JIGSAW_POPULUS_TS5-scwrl costs 0 real_cost = -106.124 3D-JIGSAW_POPULUS_TS5 costs 0 real_cost = -110.854 3D-JIGSAW_POPULUS_TS4-scwrl costs 0 real_cost = -107.796 3D-JIGSAW_POPULUS_TS4 costs 0 real_cost = -112.717 3D-JIGSAW_POPULUS_TS3-scwrl costs 0 real_cost = 55.4324 3D-JIGSAW_POPULUS_TS3 costs 0 real_cost = 50.6115 3D-JIGSAW_POPULUS_TS2-scwrl costs 0 real_cost = -64.6569 3D-JIGSAW_POPULUS_TS2 costs 0 real_cost = -65.6047 3D-JIGSAW_POPULUS_TS1-scwrl costs 0 real_cost = -3.21776 3D-JIGSAW_POPULUS_TS1 costs 0 real_cost = -2.8827 tetramer//tetramer8-1euhA costs 0 real_cost = -47.4563 tetramer//tetramer7-1euhA costs 0 real_cost = -52.1099 tetramer//tetramer6-1euhA costs 0 real_cost = -45.6728 tetramer//tetramer5-1euhA costs 0 real_cost = -28.4925 tetramer//tetramer4-1euhA costs 0 real_cost = -37.7978 tetramer//tetramer3-1euhA costs 0 real_cost = -36.4186 tetramer//tetramer-try2-1euhA costs 0 real_cost = -62.8209 tetramer//tetramer-try1-1euhA costs 0 real_cost = -66.7927 tetramer//try3-opt2.unpack costs 0 real_cost = -37.0813 tetramer//try3-opt2 costs 0 real_cost = -37.0813 tetramer//try3-opt2.gromacs0 costs 0 real_cost = -36.2614 tetramer//try3-opt1-scwrl costs 0 real_cost = -35.8035 tetramer//try2-opt2.unpack costs 0 real_cost = -41.1754 tetramer//try2-opt2 costs 0 real_cost = -41.1754 tetramer//try2-opt1 costs 0 real_cost = -41.8079 tetramer//try2-opt1-scwrl costs 0 real_cost = -41.8003 tetramer//try1-opt2.unpack costs 0 real_cost = -34.0823 tetramer//try1-opt2 costs 0 real_cost = -34.0823 tetramer//try1-opt2.gromacs0 costs 0 real_cost = -33.0292 tetramer//try1-opt1.unpack costs 0 real_cost = -33.2193 tetramer//try1-opt1 costs 0 real_cost = -33.2193 tetramer//try1-opt1-scwrl costs 0 real_cost = -31.8978 dimer//try3-opt2.unpack costs 0 real_cost = -37.0813 dimer//try2-opt2.unpack costs 0 real_cost = -41.1754 dimer//try1-opt2.unpack costs 0 real_cost = -34.0823 rotateTake2.renum.pdb.gz costs 0 real_cost = -47.5251 rotate180.renum.pdb.gz costs 0 real_cost = -52.0859 from-tetramer-try1-opt1-A.pdb.gz costs 0 real_cost = -33.2193 T0310.try3-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -45.8179 T0310.try3-opt2.pdb.gz costs 0 real_cost = -45.9343 T0310.try3-opt2.gromacs0.pdb.gz costs 0 real_cost = -46.1602 T0310.try3-opt1.pdb.gz costs 0 real_cost = -46.5361 T0310.try3-opt1-scwrl.pdb.gz costs 0 real_cost = -46.1532 T0310.try2-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -63.6937 T0310.try2-opt2.pdb.gz costs 0 real_cost = -62.9068 T0310.try2-opt2.gromacs0.pdb.gz costs 0 real_cost = -63.1404 T0310.try2-opt1.pdb.gz costs 0 real_cost = -62.9165 T0310.try2-opt1-scwrl.pdb.gz costs 0 real_cost = -61.0523 T0310.try1-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -66.1371 T0310.try1-opt2.pdb.gz costs 0 real_cost = -66.8577 T0310.try1-opt2.gromacs0.pdb.gz costs 0 real_cost = -64.0066 T0310.try1-opt1.pdb.gz costs 0 real_cost = -75.6206 T0310.try1-opt1-scwrl.pdb.gz costs 0 real_cost = -71.2329 ../model5.ts-submitted costs 0 real_cost = -63.6433 ../model4.ts-submitted costs 0 real_cost = -45.5875 ../model3.ts-submitted costs 0 real_cost = -34.0976 ../model2.ts-submitted costs 0 real_cost = -41.2663 ../model1.ts-submitted costs 0 real_cost = -36.9964 align5 costs 0 real_cost = 93.5458 align4 costs 0 real_cost = 138.766 align3 costs 0 real_cost = 171.747 align2 costs 0 real_cost = 152.471 align1 costs 0 real_cost = -0.260285 T0310.try1-opt2.pdb costs 0 real_cost = -66.8629 model5-scwrl costs 0 real_cost = -61.0088 model5.ts-submitted costs 0 real_cost = -63.6433 model4-scwrl costs 0 real_cost = -45.2708 model4.ts-submitted costs 0 real_cost = -45.5875 model3-scwrl costs 0 real_cost = -32.0333 model3.ts-submitted costs 0 real_cost = -34.0976 model2-scwrl costs 0 real_cost = -40.0135 model2.ts-submitted costs 0 real_cost = -41.2663 model1-scwrl costs 0 real_cost = -37.2038 model1.ts-submitted costs 0 real_cost = -37.0338 2h5gA costs 0 real_cost = -846.8 # command:CPU_time= 4552.52 sec, elapsed time= 5606.99 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