/projects/compbio/experiments/protein-predict/casp7/starter-directory/Make.main:725: SECONDARY_TARGET = T0299.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/T0299.} ;\ 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/T0299/ -e s/START_COL/1/ \ -e s/REAL_PDB/2hiyA/ \ -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 1175202542 # 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= 4.6313 sec, elapsed time= 4.68791 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= 4.69529 sec, elapsed time= 4.77112 sec) # command:# Prefix for input files set to # command:# Making conformation for sequence T0299 numbered 1 through 180 Created new target T0299 from T0299.a2m # command:# command:# No conformations to remove in PopConform # command:# cleared Id set # command:# command:2hiyA expands to /projects/compbio/data/pdb/2hiy.pdb.gz 2hiyA: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 422, because occupancy 5.0000000e-01 <= existing 0.500 in 2hiyA Skipped atom 424, because occupancy 0.500 <= existing 0.500 in 2hiyA Skipped atom 426, because occupancy 0.500 <= existing 0.500 in 2hiyA Skipped atom 428, because occupancy 0.500 <= existing 0.500 in 2hiyA Skipped atom 430, because occupancy 0.500 <= existing 0.500 in 2hiyA Skipped atom 432, because occupancy 0.500 <= existing 0.500 in 2hiyA Skipped atom 434, because occupancy 0.500 <= existing 0.500 in 2hiyA Skipped atom 436, because occupancy 0.500 <= existing 0.500 in 2hiyA Skipped atom 438, because occupancy 0.500 <= existing 0.500 in 2hiyA Skipped atom 1033, because occupancy 0.500 <= existing 0.500 in 2hiyA Skipped atom 1035, because occupancy 0.500 <= existing 0.500 in 2hiyA Skipped atom 1037, because occupancy 0.500 <= existing 0.500 in 2hiyA Skipped atom 1039, because occupancy 0.500 <= existing 0.500 in 2hiyA Skipped atom 1041, because occupancy 0.500 <= existing 0.500 in 2hiyA Skipped atom 1043, because occupancy 0.500 <= existing 0.500 in 2hiyA Skipped atom 1045, because occupancy 0.500 <= existing 0.500 in 2hiyA Skipped atom 1429, because occupancy 0.500 <= existing 0.500 in 2hiyA Skipped atom 1431, because occupancy 0.500 <= existing 0.500 in 2hiyA Skipped atom 1433, because occupancy 0.500 <= existing 0.500 in 2hiyA Skipped atom 1435, because occupancy 0.500 <= existing 0.500 in 2hiyA Skipped atom 1437, because occupancy 0.500 <= existing 0.500 in 2hiyA Skipped atom 1439, because occupancy 0.500 <= existing 0.500 in 2hiyA Skipped atom 1441, because occupancy 0.500 <= existing 0.500 in 2hiyA Skipped atom 1443, because occupancy 0.500 <= existing 0.500 in 2hiyA Skipped atom 1445, because occupancy 0.500 <= existing 0.500 in 2hiyA Skipped atom 1447, because occupancy 0.500 <= existing 0.500 in 2hiyA Skipped atom 1449, because occupancy 0.500 <= existing 0.500 in 2hiyA Skipped atom 1451, because occupancy 0.500 <= existing 0.500 in 2hiyA Skipped atom 1453, because occupancy 0.500 <= existing 0.500 in 2hiyA Skipped atom 1455, because occupancy 0.500 <= existing 0.500 in 2hiyA Skipped atom 1457, because occupancy 0.500 <= existing 0.500 in 2hiyA Skipped atom 1459, because occupancy 0.500 <= existing 0.500 in 2hiyA Skipped atom 1461, because occupancy 0.500 <= existing 0.500 in 2hiyA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Read 180 residues and 1483 atoms. # choosing archetypes in rotamer library # WARNING: incomplete conformation T0299 can't currently be optimized by undertaker # copying to AlignedFragments data structure # command:# Saving current conformation as real # command:# Prefix for output files set to decoys/ # command:# SetRealCost created real_cost = # ( 50 * real_hbond + 50 * real_hbond_u + 50 * decoy_hbond + 50 * decoy_hbond_u + 10 * real_NO_hbond + 10 * real_NO_hbond_u + 10 * decoy_NO_hbond + 10 * decoy_NO_hbond_u + 10 * knot + 200 * clens + 0 * rmsd + 35 * log_rmsd + 0 * rmsd_ca + 30 * log_rmsd_ca + 1 * GDT + 1 * smooth_GDT + 0.2 * missing_atoms ) # command:# SetCost created cost = # ) # command:CPU_time= 8.25574 sec, elapsed time= 8.37766 sec) # command:# Prefix for input files set to # command:# ReadConformPDB reading from PDB file model1.ts-submitted looking for model 1 # Found a chain break before 171 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -18.5028 # GDT_score(maxd=8,maxw=2.9)= -15.5515 # GDT_score(maxd=8,maxw=3.2)= -14.9165 # GDT_score(maxd=8,maxw=3.5)= -14.3643 # GDT_score(maxd=10,maxw=3.8)= -17.0169 # GDT_score(maxd=10,maxw=4)= -16.5669 # GDT_score(maxd=10,maxw=4.2)= -16.1219 # GDT_score(maxd=12,maxw=4.3)= -18.7947 # GDT_score(maxd=12,maxw=4.5)= -18.2743 # GDT_score(maxd=12,maxw=4.7)= -17.7611 # GDT_score(maxd=14,maxw=5.2)= -18.981 # GDT_score(maxd=14,maxw=5.5)= -18.2251 # command:# Prefix for output files set to # command:superimposing iter= 0 total_weight= 2173.000 rmsd (weighted)= 16.317 (unweighted)= 16.769 superimposing iter= 1 total_weight= 3836.517 rmsd (weighted)= 9.595 (unweighted)= 16.942 superimposing iter= 2 total_weight= 1954.604 rmsd (weighted)= 8.190 (unweighted)= 17.155 superimposing iter= 3 total_weight= 1586.212 rmsd (weighted)= 7.822 (unweighted)= 17.325 superimposing iter= 4 total_weight= 1525.899 rmsd (weighted)= 7.634 (unweighted)= 17.449 superimposing iter= 5 total_weight= 1504.107 rmsd (weighted)= 7.512 (unweighted)= 17.536 # command:# Prefix for output files set to decoys/ # command:# request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_172859262.pdb -s /var/tmp/to_scwrl_172859262.seq -o /var/tmp/from_scwrl_172859262.pdb > /var/tmp/scwrl_172859262.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_172859262.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 163 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -14.8305 # GDT_score(maxd=8,maxw=2.9)= -13.0265 # GDT_score(maxd=8,maxw=3.2)= -12.5468 # GDT_score(maxd=8,maxw=3.5)= -12.1493 # GDT_score(maxd=10,maxw=3.8)= -13.922 # GDT_score(maxd=10,maxw=4)= -13.6213 # GDT_score(maxd=10,maxw=4.2)= -13.3238 # GDT_score(maxd=12,maxw=4.3)= -15.2196 # GDT_score(maxd=12,maxw=4.5)= -14.8616 # GDT_score(maxd=12,maxw=4.7)= -14.5075 # GDT_score(maxd=14,maxw=5.2)= -15.5071 # GDT_score(maxd=14,maxw=5.5)= -14.9386 # command:# request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1959358712.pdb -s /var/tmp/to_scwrl_1959358712.seq -o /var/tmp/from_scwrl_1959358712.pdb > /var/tmp/scwrl_1959358712.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1959358712.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 163 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -16.6667 # GDT_score(maxd=8,maxw=2.9)= -15.0126 # GDT_score(maxd=8,maxw=3.2)= -14.4526 # GDT_score(maxd=8,maxw=3.5)= -13.9886 # GDT_score(maxd=10,maxw=3.8)= -15.7669 # GDT_score(maxd=10,maxw=4)= -15.4305 # GDT_score(maxd=10,maxw=4.2)= -15.1141 # GDT_score(maxd=12,maxw=4.3)= -17.0078 # GDT_score(maxd=12,maxw=4.5)= -16.6377 # GDT_score(maxd=12,maxw=4.7)= -16.2701 # GDT_score(maxd=14,maxw=5.2)= -17.3483 # GDT_score(maxd=14,maxw=5.5)= -16.7807 # command:# request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_154053659.pdb -s /var/tmp/to_scwrl_154053659.seq -o /var/tmp/from_scwrl_154053659.pdb > /var/tmp/scwrl_154053659.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_154053659.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 162 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -12.2881 # GDT_score(maxd=8,maxw=2.9)= -11.0232 # GDT_score(maxd=8,maxw=3.2)= -10.7313 # GDT_score(maxd=8,maxw=3.5)= -10.4894 # GDT_score(maxd=10,maxw=3.8)= -11.8171 # GDT_score(maxd=10,maxw=4)= -11.6217 # GDT_score(maxd=10,maxw=4.2)= -11.4449 # GDT_score(maxd=12,maxw=4.3)= -13.2149 # GDT_score(maxd=12,maxw=4.5)= -12.9791 # GDT_score(maxd=12,maxw=4.7)= -12.7634 # GDT_score(maxd=14,maxw=5.2)= -14.0043 # GDT_score(maxd=14,maxw=5.5)= -13.6359 # command:# request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1743294471.pdb -s /var/tmp/to_scwrl_1743294471.seq -o /var/tmp/from_scwrl_1743294471.pdb > /var/tmp/scwrl_1743294471.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1743294471.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 138 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -12.4294 # GDT_score(maxd=8,maxw=2.9)= -11.1399 # GDT_score(maxd=8,maxw=3.2)= -10.8583 # GDT_score(maxd=8,maxw=3.5)= -10.5873 # GDT_score(maxd=10,maxw=3.8)= -11.8321 # GDT_score(maxd=10,maxw=4)= -11.6077 # GDT_score(maxd=10,maxw=4.2)= -11.3994 # GDT_score(maxd=12,maxw=4.3)= -12.8376 # GDT_score(maxd=12,maxw=4.5)= -12.5839 # GDT_score(maxd=12,maxw=4.7)= -12.3236 # GDT_score(maxd=14,maxw=5.2)= -13.2785 # GDT_score(maxd=14,maxw=5.5)= -12.8324 # command:# request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1603266532.pdb -s /var/tmp/to_scwrl_1603266532.seq -o /var/tmp/from_scwrl_1603266532.pdb > /var/tmp/scwrl_1603266532.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1603266532.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 T0299.try1-opt2.pdb looking for model 1 # Found a chain break before 166 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -18.3616 # GDT_score(maxd=8,maxw=2.9)= -15.8872 # GDT_score(maxd=8,maxw=3.2)= -15.2453 # GDT_score(maxd=8,maxw=3.5)= -14.7079 # GDT_score(maxd=10,maxw=3.8)= -17.1563 # GDT_score(maxd=10,maxw=4)= -16.7222 # GDT_score(maxd=10,maxw=4.2)= -16.3294 # GDT_score(maxd=12,maxw=4.3)= -18.7769 # GDT_score(maxd=12,maxw=4.5)= -18.319 # GDT_score(maxd=12,maxw=4.7)= -17.8804 # GDT_score(maxd=14,maxw=5.2)= -19.0731 # GDT_score(maxd=14,maxw=5.5)= -18.3785 # command:# Prefix for output files set to # command:superimposing iter= 0 total_weight= 2173.000 rmsd (weighted)= 15.157 (unweighted)= 15.635 superimposing iter= 1 total_weight= 3822.839 rmsd (weighted)= 9.149 (unweighted)= 15.687 superimposing iter= 2 total_weight= 1860.192 rmsd (weighted)= 8.049 (unweighted)= 15.756 superimposing iter= 3 total_weight= 1568.442 rmsd (weighted)= 7.723 (unweighted)= 15.847 superimposing iter= 4 total_weight= 1533.100 rmsd (weighted)= 7.492 (unweighted)= 15.957 superimposing iter= 5 total_weight= 1520.071 rmsd (weighted)= 7.298 (unweighted)= 16.071 # command:# Prefix for output files set to decoys/ # command:# Prefix for input files set to # command:# ReadConformPDB reading from PDB file T0299.undertaker-align.pdb looking for model 1 WARNING: atoms too close: (T0299)N88.C and (T0299)L97.C only 0.000 apart, marking (T0299)L97.C as missing WARNING: atoms too close: (T0299)L89.N and (T0299)A98.N only 0.000 apart, marking (T0299)L89.N as missing WARNING: atoms too close: (T0299)L89.CA and (T0299)A98.CA only 0.000 apart, marking (T0299)L89.CA as missing WARNING: atoms too close: (T0299)A149.C and (T0299)Y153.C only 0.000 apart, marking (T0299)Y153.C as missing WARNING: atoms too close: (T0299)Y150.N and (T0299)L154.N only 0.000 apart, marking (T0299)Y150.N as missing WARNING: atoms too close: (T0299)Y150.CA and (T0299)L154.CA only 0.000 apart, marking (T0299)Y150.CA as missing # WARNING: incomplete conformation T0299 can't currently be optimized by undertaker # command:# naming current conformation align1 # command:# fraction of real conformation used = 0.632768 # GDT_score = -12.2881 # GDT_score(maxd=8,maxw=2.9)= -12.4503 # GDT_score(maxd=8,maxw=3.2)= -11.9187 # GDT_score(maxd=8,maxw=3.5)= -11.4782 # GDT_score(maxd=10,maxw=3.8)= -12.336 # GDT_score(maxd=10,maxw=4)= -12.0582 # GDT_score(maxd=10,maxw=4.2)= -11.8068 # GDT_score(maxd=12,maxw=4.3)= -12.9453 # GDT_score(maxd=12,maxw=4.5)= -12.6713 # GDT_score(maxd=12,maxw=4.7)= -12.4206 # GDT_score(maxd=14,maxw=5.2)= -13.0085 # GDT_score(maxd=14,maxw=5.5)= -12.6168 # command:# ReadConformPDB reading from PDB file T0299.undertaker-align.pdb looking for model 2 WARNING: atoms too close: (T0299)E61.C and (T0299)T62.C only 0.000 apart, marking (T0299)T62.C as missing WARNING: atoms too close: (T0299)T62.N and (T0299)F63.N only 0.000 apart, marking (T0299)T62.N as missing WARNING: atoms too close: (T0299)T62.CA and (T0299)F63.CA only 0.000 apart, marking (T0299)T62.CA as missing WARNING: atoms too close: (T0299)E80.C and (T0299)A84.C only 0.000 apart, marking (T0299)A84.C as missing WARNING: atoms too close: (T0299)D81.N and (T0299)E85.N only 0.000 apart, marking (T0299)D81.N as missing WARNING: atoms too close: (T0299)D81.CA and (T0299)E85.CA only 0.000 apart, marking (T0299)D81.CA as missing WARNING: atoms too close: (T0299)F159.C and (T0299)H162.C only 0.000 apart, marking (T0299)H162.C as missing WARNING: atoms too close: (T0299)Y160.N and (T0299)I163.N only 0.000 apart, marking (T0299)Y160.N as missing WARNING: atoms too close: (T0299)Y160.CA and (T0299)I163.CA only 0.000 apart, marking (T0299)Y160.CA as missing # WARNING: incomplete conformation T0299 can't currently be optimized by undertaker # command:# naming current conformation align2 # command:# fraction of real conformation used = 0.734463 # GDT_score = -14.1243 # GDT_score(maxd=8,maxw=2.9)= -13.3712 # GDT_score(maxd=8,maxw=3.2)= -12.9121 # GDT_score(maxd=8,maxw=3.5)= -12.5318 # GDT_score(maxd=10,maxw=3.8)= -13.7028 # GDT_score(maxd=10,maxw=4)= -13.4414 # GDT_score(maxd=10,maxw=4.2)= -13.2049 # GDT_score(maxd=12,maxw=4.3)= -14.383 # GDT_score(maxd=12,maxw=4.5)= -14.1204 # GDT_score(maxd=12,maxw=4.7)= -13.8419 # GDT_score(maxd=14,maxw=5.2)= -14.2349 # GDT_score(maxd=14,maxw=5.5)= -13.7781 # command:# ReadConformPDB reading from PDB file T0299.undertaker-align.pdb looking for model 3 WARNING: atoms too close: (T0299)L33.C and (T0299)V36.C only 0.000 apart, marking (T0299)V36.C as missing WARNING: atoms too close: (T0299)E34.N and (T0299)E37.N only 0.000 apart, marking (T0299)E34.N as missing WARNING: atoms too close: (T0299)E34.CA and (T0299)E37.CA only 0.000 apart, marking (T0299)E34.CA as missing WARNING: atoms too close: (T0299)N44.C and (T0299)T48.C only 0.000 apart, marking (T0299)T48.C as missing WARNING: atoms too close: (T0299)I45.N and (T0299)S49.N only 0.000 apart, marking (T0299)I45.N as missing WARNING: atoms too close: (T0299)I45.CA and (T0299)S49.CA only 0.000 apart, marking (T0299)I45.CA as missing WARNING: atoms too close: (T0299)P69.C and (T0299)F70.C only 0.000 apart, marking (T0299)F70.C as missing WARNING: atoms too close: (T0299)F70.N and (T0299)I71.N only 0.000 apart, marking (T0299)F70.N as missing WARNING: atoms too close: (T0299)F70.CA and (T0299)I71.CA only 0.000 apart, marking (T0299)F70.CA as missing WARNING: atoms too close: (T0299)Q113.C and (T0299)V114.C only 0.000 apart, marking (T0299)V114.C as missing WARNING: atoms too close: (T0299)V114.N and (T0299)I115.N only 0.000 apart, marking (T0299)V114.N as missing WARNING: atoms too close: (T0299)V114.CA and (T0299)I115.CA only 0.000 apart, marking (T0299)V114.CA as missing # WARNING: incomplete conformation T0299 can't currently be optimized by undertaker # command:# naming current conformation align3 # command:# ReadConformPDB reading from PDB file T0299.undertaker-align.pdb looking for model 4 WARNING: atoms too close: (T0299)R95.C and (T0299)F102.C only 0.000 apart, marking (T0299)F102.C as missing WARNING: atoms too close: (T0299)D96.N and (T0299)L103.N only 0.000 apart, marking (T0299)D96.N as missing WARNING: atoms too close: (T0299)D96.CA and (T0299)L103.CA only 0.000 apart, marking (T0299)D96.CA as missing # WARNING: incomplete conformation T0299 can't currently be optimized by undertaker # command:# naming current conformation align4 # command:# ReadConformPDB reading from PDB file T0299.undertaker-align.pdb looking for model 5 WARNING: atoms too close: (T0299)N17.C and (T0299)I40.C only 0.000 apart, marking (T0299)I40.C as missing WARNING: atoms too close: (T0299)K18.N and (T0299)N41.N only 0.000 apart, marking (T0299)K18.N as missing WARNING: atoms too close: (T0299)K18.CA and (T0299)N41.CA only 0.000 apart, marking (T0299)K18.CA as missing WARNING: atoms too close: (T0299)Y68.C and (T0299)D81.C only 0.000 apart, marking (T0299)D81.C as missing WARNING: atoms too close: (T0299)P69.N and (T0299)F82.N only 0.000 apart, marking (T0299)P69.N as missing WARNING: atoms too close: (T0299)P69.CA and (T0299)F82.CA only 0.000 apart, marking (T0299)P69.CA as missing # WARNING: incomplete conformation T0299 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 171 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model2.ts-submitted looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model3.ts-submitted looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model4.ts-submitted looking for model 1 # Found a chain break before 162 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model5.ts-submitted looking for model 1 # Found a chain break before 138 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try1-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 162 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try1-opt1.pdb.gz looking for model 1 # Found a chain break before 162 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try1-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try1-opt2.pdb.gz looking for model 1 # Found a chain break before 166 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try1-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 166 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try10-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 162 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try10-opt1.pdb.gz looking for model 1 # Found a chain break before 162 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try10-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 160 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try10-opt2.pdb.gz looking for model 1 # Found a chain break before 156 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try10-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 156 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try11-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 174 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try11-opt1.pdb.gz looking for model 1 # Found a chain break before 174 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try11-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try11-opt2.pdb.gz looking for model 1 # Found a chain break before 174 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try11-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 174 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try12-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try12-opt1.pdb.gz looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try12-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try12-opt2.pdb.gz looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try12-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try13-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 174 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try13-opt1.pdb.gz looking for model 1 # Found a chain break before 174 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try13-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 155 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try13-opt2.pdb.gz looking for model 1 # Found a chain break before 174 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try13-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 174 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try14-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try14-opt1.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try14-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 164 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try14-opt2.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try14-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try15-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try15-opt1.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try15-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try15-opt2.pdb.gz looking for model 1 # Found a chain break before 161 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try15-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 161 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try16-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try16-opt1.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try16-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try16-opt2.pdb.gz looking for model 1 # Found a chain break before 178 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try16-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 178 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try17-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 167 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try17-opt1.pdb.gz looking for model 1 # Found a chain break before 167 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try17-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try17-opt2.pdb.gz looking for model 1 # Found a chain break before 167 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try17-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 167 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try18-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 159 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try18-opt1.pdb.gz looking for model 1 # Found a chain break before 159 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try18-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 167 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try18-opt2.pdb.gz looking for model 1 # Found a chain break before 169 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try18-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 169 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try19-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 162 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try19-opt1.pdb.gz looking for model 1 # Found a chain break before 162 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try19-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try19-opt2.pdb.gz looking for model 1 # Found a chain break before 162 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try19-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 162 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try2-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 170 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try2-opt1.pdb.gz looking for model 1 # Found a chain break before 170 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try2-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try2-opt2.pdb.gz looking for model 1 # Found a chain break before 170 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try2-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 170 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try20-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try20-opt1.pdb.gz looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try20-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 125 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try20-opt2.pdb.gz looking for model 1 # Found a chain break before 166 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try20-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 166 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try21-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 162 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try21-opt1.pdb.gz looking for model 1 # Found a chain break before 162 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try21-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try21-opt2.pdb.gz looking for model 1 # Found a chain break before 162 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try21-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 162 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try22-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try22-opt1.pdb.gz looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try22-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 125 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try22-opt2.pdb.gz looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try22-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try23-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try23-opt1.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try23-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 164 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try23-opt2.pdb.gz looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try23-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try24-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 171 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try24-opt1.pdb.gz looking for model 1 # Found a chain break before 171 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try24-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 171 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try24-opt2.pdb.gz looking for model 1 # Found a chain break before 171 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try24-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 171 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try3-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 152 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try3-opt1.pdb.gz looking for model 1 # Found a chain break before 152 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try3-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try3-opt2.pdb.gz looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try3-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try4-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 159 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try4-opt1.pdb.gz looking for model 1 # Found a chain break before 159 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try4-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 160 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try4-opt2.pdb.gz looking for model 1 # Found a chain break before 138 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try4-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 138 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try5-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 156 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try5-opt1.pdb.gz looking for model 1 # Found a chain break before 156 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try5-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 156 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try5-opt2.pdb.gz looking for model 1 # Found a chain break before 166 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try5-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 166 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try6-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 138 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try6-opt1.pdb.gz looking for model 1 # Found a chain break before 138 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try6-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 160 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try6-opt2.pdb.gz looking for model 1 # Found a chain break before 138 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try6-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 138 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try7-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 171 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try7-opt1.pdb.gz looking for model 1 # Found a chain break before 171 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try7-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try7-opt2.pdb.gz looking for model 1 # Found a chain break before 171 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try7-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 171 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try8-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 135 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try8-opt1.pdb.gz looking for model 1 # Found a chain break before 135 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try8-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 165 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try8-opt2.pdb.gz looking for model 1 # Found a chain break before 172 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try8-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 172 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try9-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 160 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try9-opt1.pdb.gz looking for model 1 # Found a chain break before 160 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try9-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try9-opt2.pdb.gz looking for model 1 # Found a chain break before 160 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try9-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 160 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0299 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_317089678.pdb -s /var/tmp/to_scwrl_317089678.seq -o /var/tmp/from_scwrl_317089678.pdb > /var/tmp/scwrl_317089678.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_317089678.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 T0299 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1785069989.pdb -s /var/tmp/to_scwrl_1785069989.seq -o /var/tmp/from_scwrl_1785069989.pdb > /var/tmp/scwrl_1785069989.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1785069989.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 # Found a chain break before 170 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1134176816.pdb -s /var/tmp/to_scwrl_1134176816.seq -o /var/tmp/from_scwrl_1134176816.pdb > /var/tmp/scwrl_1134176816.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1134176816.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 T0299 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_510951905.pdb -s /var/tmp/to_scwrl_510951905.seq -o /var/tmp/from_scwrl_510951905.pdb > /var/tmp/scwrl_510951905.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_510951905.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 T0299 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1903365428.pdb -s /var/tmp/to_scwrl_1903365428.seq -o /var/tmp/from_scwrl_1903365428.pdb > /var/tmp/scwrl_1903365428.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1903365428.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 # Found a chain break before 170 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_RECOM_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_2136896795.pdb -s /var/tmp/to_scwrl_2136896795.seq -o /var/tmp/from_scwrl_2136896795.pdb > /var/tmp/scwrl_2136896795.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2136896795.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 T0299 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_404405063.pdb -s /var/tmp/to_scwrl_404405063.seq -o /var/tmp/from_scwrl_404405063.pdb > /var/tmp/scwrl_404405063.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_404405063.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 T0299 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_924038431.pdb -s /var/tmp/to_scwrl_924038431.seq -o /var/tmp/from_scwrl_924038431.pdb > /var/tmp/scwrl_924038431.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_924038431.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 T0299 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1804016403.pdb -s /var/tmp/to_scwrl_1804016403.seq -o /var/tmp/from_scwrl_1804016403.pdb > /var/tmp/scwrl_1804016403.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1804016403.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 T0299 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_2103046587.pdb -s /var/tmp/to_scwrl_2103046587.seq -o /var/tmp/from_scwrl_2103046587.pdb > /var/tmp/scwrl_2103046587.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2103046587.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 T0299 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_371005746.pdb -s /var/tmp/to_scwrl_371005746.seq -o /var/tmp/from_scwrl_371005746.pdb > /var/tmp/scwrl_371005746.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_371005746.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 T0299 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_2043918123.pdb -s /var/tmp/to_scwrl_2043918123.seq -o /var/tmp/from_scwrl_2043918123.pdb > /var/tmp/scwrl_2043918123.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2043918123.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 T0299 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_246346361.pdb -s /var/tmp/to_scwrl_246346361.seq -o /var/tmp/from_scwrl_246346361.pdb > /var/tmp/scwrl_246346361.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_246346361.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 T0299 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_510896581.pdb -s /var/tmp/to_scwrl_510896581.seq -o /var/tmp/from_scwrl_510896581.pdb > /var/tmp/scwrl_510896581.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_510896581.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 T0299 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_185251680.pdb -s /var/tmp/to_scwrl_185251680.seq -o /var/tmp/from_scwrl_185251680.pdb > /var/tmp/scwrl_185251680.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_185251680.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 172 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_38580094.pdb -s /var/tmp/to_scwrl_38580094.seq -o /var/tmp/from_scwrl_38580094.pdb > /var/tmp/scwrl_38580094.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_38580094.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 175 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1225069772.pdb -s /var/tmp/to_scwrl_1225069772.seq -o /var/tmp/from_scwrl_1225069772.pdb > /var/tmp/scwrl_1225069772.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1225069772.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 165 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1751349956.pdb -s /var/tmp/to_scwrl_1751349956.seq -o /var/tmp/from_scwrl_1751349956.pdb > /var/tmp/scwrl_1751349956.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1751349956.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 135 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_160197132.pdb -s /var/tmp/to_scwrl_160197132.seq -o /var/tmp/from_scwrl_160197132.pdb > /var/tmp/scwrl_160197132.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_160197132.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 149 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1297864733.pdb -s /var/tmp/to_scwrl_1297864733.seq -o /var/tmp/from_scwrl_1297864733.pdb > /var/tmp/scwrl_1297864733.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1297864733.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 149 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_103865167.pdb -s /var/tmp/to_scwrl_103865167.seq -o /var/tmp/from_scwrl_103865167.pdb > /var/tmp/scwrl_103865167.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_103865167.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 141 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1314771862.pdb -s /var/tmp/to_scwrl_1314771862.seq -o /var/tmp/from_scwrl_1314771862.pdb > /var/tmp/scwrl_1314771862.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1314771862.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 166 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_716156723.pdb -s /var/tmp/to_scwrl_716156723.seq -o /var/tmp/from_scwrl_716156723.pdb > /var/tmp/scwrl_716156723.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_716156723.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 145 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1616763614.pdb -s /var/tmp/to_scwrl_1616763614.seq -o /var/tmp/from_scwrl_1616763614.pdb > /var/tmp/scwrl_1616763614.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1616763614.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 165 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_349284152.pdb -s /var/tmp/to_scwrl_349284152.seq -o /var/tmp/from_scwrl_349284152.pdb > /var/tmp/scwrl_349284152.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_349284152.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 152 # copying to AlignedFragments data structure # naming current conformation BayesHH_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_338121301.pdb -s /var/tmp/to_scwrl_338121301.seq -o /var/tmp/from_scwrl_338121301.pdb > /var/tmp/scwrl_338121301.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_338121301.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 176 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1789622877.pdb -s /var/tmp/to_scwrl_1789622877.seq -o /var/tmp/from_scwrl_1789622877.pdb > /var/tmp/scwrl_1789622877.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1789622877.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 176 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_161159217.pdb -s /var/tmp/to_scwrl_161159217.seq -o /var/tmp/from_scwrl_161159217.pdb > /var/tmp/scwrl_161159217.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_161159217.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 176 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_492174960.pdb -s /var/tmp/to_scwrl_492174960.seq -o /var/tmp/from_scwrl_492174960.pdb > /var/tmp/scwrl_492174960.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_492174960.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 176 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1385433701.pdb -s /var/tmp/to_scwrl_1385433701.seq -o /var/tmp/from_scwrl_1385433701.pdb > /var/tmp/scwrl_1385433701.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1385433701.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS4-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS5.pdb.gz looking for model 1 # Found a chain break before 176 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1764425750.pdb -s /var/tmp/to_scwrl_1764425750.seq -o /var/tmp/from_scwrl_1764425750.pdb > /var/tmp/scwrl_1764425750.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1764425750.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 176 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_809264638.pdb -s /var/tmp/to_scwrl_809264638.seq -o /var/tmp/from_scwrl_809264638.pdb > /var/tmp/scwrl_809264638.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_809264638.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS1-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS2.pdb.gz looking for model 1 # Found a chain break before 173 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1023020044.pdb -s /var/tmp/to_scwrl_1023020044.seq -o /var/tmp/from_scwrl_1023020044.pdb > /var/tmp/scwrl_1023020044.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1023020044.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS2-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS3.pdb.gz looking for model 1 # Found a chain break before 179 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_751118920.pdb -s /var/tmp/to_scwrl_751118920.seq -o /var/tmp/from_scwrl_751118920.pdb > /var/tmp/scwrl_751118920.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_751118920.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS3-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS4.pdb.gz looking for model 1 # Found a chain break before 175 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1320216542.pdb -s /var/tmp/to_scwrl_1320216542.seq -o /var/tmp/from_scwrl_1320216542.pdb > /var/tmp/scwrl_1320216542.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1320216542.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS4-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS5.pdb.gz looking for model 1 # Found a chain break before 179 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_778901825.pdb -s /var/tmp/to_scwrl_778901825.seq -o /var/tmp/from_scwrl_778901825.pdb > /var/tmp/scwrl_778901825.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_778901825.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS5-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS1.pdb.gz looking for model 1 # Found a chain break before 166 # copying to AlignedFragments data structure # naming current conformation CaspIta-FOX_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_740532069.pdb -s /var/tmp/to_scwrl_740532069.seq -o /var/tmp/from_scwrl_740532069.pdb > /var/tmp/scwrl_740532069.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_740532069.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 T0299 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1724621605.pdb -s /var/tmp/to_scwrl_1724621605.seq -o /var/tmp/from_scwrl_1724621605.pdb > /var/tmp/scwrl_1724621605.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1724621605.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 T0299 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1702940255.pdb -s /var/tmp/to_scwrl_1702940255.seq -o /var/tmp/from_scwrl_1702940255.pdb > /var/tmp/scwrl_1702940255.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1702940255.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 T0299 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_397064825.pdb -s /var/tmp/to_scwrl_397064825.seq -o /var/tmp/from_scwrl_397064825.pdb > /var/tmp/scwrl_397064825.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_397064825.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 T0299 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1680184546.pdb -s /var/tmp/to_scwrl_1680184546.seq -o /var/tmp/from_scwrl_1680184546.pdb > /var/tmp/scwrl_1680184546.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1680184546.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 T0299 can't currently be optimized by undertaker # naming current conformation Distill_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_2073946001.pdb -s /var/tmp/to_scwrl_2073946001.seq -o /var/tmp/from_scwrl_2073946001.pdb > /var/tmp/scwrl_2073946001.log Error: Couldn't open file /var/tmp/from_scwrl_2073946001.pdb or /var/tmp/from_scwrl_2073946001.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2073946001_b.pdb or decoys//var/tmp/from_scwrl_2073946001_b.pdb.gz for input Trying /var/tmp/from_scwrl_2073946001_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2073946001_b.pdb or /var/tmp/from_scwrl_2073946001_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2073946001_a.pdb or decoys//var/tmp/from_scwrl_2073946001_a.pdb.gz for input Trying /var/tmp/from_scwrl_2073946001_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2073946001_a.pdb or /var/tmp/from_scwrl_2073946001_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2073946001.pdb or /var/tmp/from_scwrl_2073946001_b.pdb or /var/tmp/from_scwrl_2073946001_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 T0299 can't currently be optimized by undertaker # naming current conformation Distill_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_293499301.pdb -s /var/tmp/to_scwrl_293499301.seq -o /var/tmp/from_scwrl_293499301.pdb > /var/tmp/scwrl_293499301.log Error: Couldn't open file /var/tmp/from_scwrl_293499301.pdb or /var/tmp/from_scwrl_293499301.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_293499301_b.pdb or decoys//var/tmp/from_scwrl_293499301_b.pdb.gz for input Trying /var/tmp/from_scwrl_293499301_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_293499301_b.pdb or /var/tmp/from_scwrl_293499301_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_293499301_a.pdb or decoys//var/tmp/from_scwrl_293499301_a.pdb.gz for input Trying /var/tmp/from_scwrl_293499301_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_293499301_a.pdb or /var/tmp/from_scwrl_293499301_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_293499301.pdb or /var/tmp/from_scwrl_293499301_b.pdb or /var/tmp/from_scwrl_293499301_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 T0299 can't currently be optimized by undertaker # naming current conformation Distill_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1926530907.pdb -s /var/tmp/to_scwrl_1926530907.seq -o /var/tmp/from_scwrl_1926530907.pdb > /var/tmp/scwrl_1926530907.log Error: Couldn't open file /var/tmp/from_scwrl_1926530907.pdb or /var/tmp/from_scwrl_1926530907.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1926530907_b.pdb or decoys//var/tmp/from_scwrl_1926530907_b.pdb.gz for input Trying /var/tmp/from_scwrl_1926530907_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1926530907_b.pdb or /var/tmp/from_scwrl_1926530907_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1926530907_a.pdb or decoys//var/tmp/from_scwrl_1926530907_a.pdb.gz for input Trying /var/tmp/from_scwrl_1926530907_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1926530907_a.pdb or /var/tmp/from_scwrl_1926530907_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1926530907.pdb or /var/tmp/from_scwrl_1926530907_b.pdb or /var/tmp/from_scwrl_1926530907_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 T0299 can't currently be optimized by undertaker # naming current conformation Distill_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_437358935.pdb -s /var/tmp/to_scwrl_437358935.seq -o /var/tmp/from_scwrl_437358935.pdb > /var/tmp/scwrl_437358935.log Error: Couldn't open file /var/tmp/from_scwrl_437358935.pdb or /var/tmp/from_scwrl_437358935.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_437358935_b.pdb or decoys//var/tmp/from_scwrl_437358935_b.pdb.gz for input Trying /var/tmp/from_scwrl_437358935_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_437358935_b.pdb or /var/tmp/from_scwrl_437358935_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_437358935_a.pdb or decoys//var/tmp/from_scwrl_437358935_a.pdb.gz for input Trying /var/tmp/from_scwrl_437358935_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_437358935_a.pdb or /var/tmp/from_scwrl_437358935_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_437358935.pdb or /var/tmp/from_scwrl_437358935_b.pdb or /var/tmp/from_scwrl_437358935_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 T0299 can't currently be optimized by undertaker # naming current conformation Distill_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_478750982.pdb -s /var/tmp/to_scwrl_478750982.seq -o /var/tmp/from_scwrl_478750982.pdb > /var/tmp/scwrl_478750982.log Error: Couldn't open file /var/tmp/from_scwrl_478750982.pdb or /var/tmp/from_scwrl_478750982.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_478750982_b.pdb or decoys//var/tmp/from_scwrl_478750982_b.pdb.gz for input Trying /var/tmp/from_scwrl_478750982_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_478750982_b.pdb or /var/tmp/from_scwrl_478750982_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_478750982_a.pdb or decoys//var/tmp/from_scwrl_478750982_a.pdb.gz for input Trying /var/tmp/from_scwrl_478750982_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_478750982_a.pdb or /var/tmp/from_scwrl_478750982_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_478750982.pdb or /var/tmp/from_scwrl_478750982_b.pdb or /var/tmp/from_scwrl_478750982_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 T0299 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FAMSD_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1965111001.pdb -s /var/tmp/to_scwrl_1965111001.seq -o /var/tmp/from_scwrl_1965111001.pdb > /var/tmp/scwrl_1965111001.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1965111001.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 T0299 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FAMSD_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1662428707.pdb -s /var/tmp/to_scwrl_1662428707.seq -o /var/tmp/from_scwrl_1662428707.pdb > /var/tmp/scwrl_1662428707.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1662428707.pdb # conformation set from SCWRL output # naming current conformation FAMSD_TS2-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS3.pdb.gz looking for model 1 # Found a chain break before 176 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_82617291.pdb -s /var/tmp/to_scwrl_82617291.seq -o /var/tmp/from_scwrl_82617291.pdb > /var/tmp/scwrl_82617291.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_82617291.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 T0299 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FAMSD_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_2125308134.pdb -s /var/tmp/to_scwrl_2125308134.seq -o /var/tmp/from_scwrl_2125308134.pdb > /var/tmp/scwrl_2125308134.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2125308134.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 T0299 can't currently be optimized by undertaker # naming current conformation FAMSD_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_812809794.pdb -s /var/tmp/to_scwrl_812809794.seq -o /var/tmp/from_scwrl_812809794.pdb > /var/tmp/scwrl_812809794.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_812809794.pdb # conformation set from SCWRL output # naming current conformation FAMSD_TS5-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS1.pdb.gz looking for model 1 # Found a chain break before 175 # copying to AlignedFragments data structure # naming current conformation FAMS_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_186482458.pdb -s /var/tmp/to_scwrl_186482458.seq -o /var/tmp/from_scwrl_186482458.pdb > /var/tmp/scwrl_186482458.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_186482458.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS1-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS2.pdb.gz looking for model 1 # Found a chain break before 176 # copying to AlignedFragments data structure # naming current conformation FAMS_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1292596349.pdb -s /var/tmp/to_scwrl_1292596349.seq -o /var/tmp/from_scwrl_1292596349.pdb > /var/tmp/scwrl_1292596349.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1292596349.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 T0299 can't currently be optimized by undertaker # naming current conformation FAMS_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1528966516.pdb -s /var/tmp/to_scwrl_1528966516.seq -o /var/tmp/from_scwrl_1528966516.pdb > /var/tmp/scwrl_1528966516.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1528966516.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS3-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS4.pdb.gz looking for model 1 # Found a chain break before 176 # copying to AlignedFragments data structure # naming current conformation FAMS_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1803246073.pdb -s /var/tmp/to_scwrl_1803246073.seq -o /var/tmp/from_scwrl_1803246073.pdb > /var/tmp/scwrl_1803246073.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1803246073.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS4-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS5.pdb.gz looking for model 1 # Found a chain break before 179 # copying to AlignedFragments data structure # naming current conformation FAMS_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1641880502.pdb -s /var/tmp/to_scwrl_1641880502.seq -o /var/tmp/from_scwrl_1641880502.pdb > /var/tmp/scwrl_1641880502.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1641880502.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 173 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1867087817.pdb -s /var/tmp/to_scwrl_1867087817.seq -o /var/tmp/from_scwrl_1867087817.pdb > /var/tmp/scwrl_1867087817.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1867087817.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 173 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1445385303.pdb -s /var/tmp/to_scwrl_1445385303.seq -o /var/tmp/from_scwrl_1445385303.pdb > /var/tmp/scwrl_1445385303.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1445385303.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 176 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1803039719.pdb -s /var/tmp/to_scwrl_1803039719.seq -o /var/tmp/from_scwrl_1803039719.pdb > /var/tmp/scwrl_1803039719.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1803039719.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 162 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_211779130.pdb -s /var/tmp/to_scwrl_211779130.seq -o /var/tmp/from_scwrl_211779130.pdb > /var/tmp/scwrl_211779130.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_211779130.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 168 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_683335358.pdb -s /var/tmp/to_scwrl_683335358.seq -o /var/tmp/from_scwrl_683335358.pdb > /var/tmp/scwrl_683335358.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_683335358.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 T0299 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1419981822.pdb -s /var/tmp/to_scwrl_1419981822.seq -o /var/tmp/from_scwrl_1419981822.pdb > /var/tmp/scwrl_1419981822.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1419981822.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 T0299 can't currently be optimized by undertaker # naming current conformation FORTE1_AL2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1021043769.pdb -s /var/tmp/to_scwrl_1021043769.seq -o /var/tmp/from_scwrl_1021043769.pdb > /var/tmp/scwrl_1021043769.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1021043769.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 T0299 can't currently be optimized by undertaker # naming current conformation FORTE1_AL3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1706355401.pdb -s /var/tmp/to_scwrl_1706355401.seq -o /var/tmp/from_scwrl_1706355401.pdb > /var/tmp/scwrl_1706355401.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1706355401.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 # WARNING: incomplete conformation T0299 can't currently be optimized by undertaker # naming current conformation FORTE1_AL4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_23617096.pdb -s /var/tmp/to_scwrl_23617096.seq -o /var/tmp/from_scwrl_23617096.pdb > /var/tmp/scwrl_23617096.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_23617096.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 Skipped atom 55, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 60, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz # WARNING: incomplete conformation T0299 can't currently be optimized by undertaker # naming current conformation FORTE1_AL5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_193776664.pdb -s /var/tmp/to_scwrl_193776664.seq -o /var/tmp/from_scwrl_193776664.pdb > /var/tmp/scwrl_193776664.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_193776664.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 T0299 can't currently be optimized by undertaker # naming current conformation FORTE2_AL1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_337773579.pdb -s /var/tmp/to_scwrl_337773579.seq -o /var/tmp/from_scwrl_337773579.pdb > /var/tmp/scwrl_337773579.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_337773579.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 T0299 can't currently be optimized by undertaker # naming current conformation FORTE2_AL2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_764149165.pdb -s /var/tmp/to_scwrl_764149165.seq -o /var/tmp/from_scwrl_764149165.pdb > /var/tmp/scwrl_764149165.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_764149165.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 Skipped atom 55, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL3.pdb.gz Skipped atom 60, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL3.pdb.gz # WARNING: incomplete conformation T0299 can't currently be optimized by undertaker # naming current conformation FORTE2_AL3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1918398270.pdb -s /var/tmp/to_scwrl_1918398270.seq -o /var/tmp/from_scwrl_1918398270.pdb > /var/tmp/scwrl_1918398270.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1918398270.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 # WARNING: incomplete conformation T0299 can't currently be optimized by undertaker # naming current conformation FORTE2_AL4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_2040713834.pdb -s /var/tmp/to_scwrl_2040713834.seq -o /var/tmp/from_scwrl_2040713834.pdb > /var/tmp/scwrl_2040713834.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2040713834.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 T0299 can't currently be optimized by undertaker # naming current conformation FORTE2_AL5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1161213989.pdb -s /var/tmp/to_scwrl_1161213989.seq -o /var/tmp/from_scwrl_1161213989.pdb > /var/tmp/scwrl_1161213989.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1161213989.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 174 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1451099169.pdb -s /var/tmp/to_scwrl_1451099169.seq -o /var/tmp/from_scwrl_1451099169.pdb > /var/tmp/scwrl_1451099169.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1451099169.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 166 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1967176188.pdb -s /var/tmp/to_scwrl_1967176188.seq -o /var/tmp/from_scwrl_1967176188.pdb > /var/tmp/scwrl_1967176188.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1967176188.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 127 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1454713290.pdb -s /var/tmp/to_scwrl_1454713290.seq -o /var/tmp/from_scwrl_1454713290.pdb > /var/tmp/scwrl_1454713290.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1454713290.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 163 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1230146429.pdb -s /var/tmp/to_scwrl_1230146429.seq -o /var/tmp/from_scwrl_1230146429.pdb > /var/tmp/scwrl_1230146429.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1230146429.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 167 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_257051476.pdb -s /var/tmp/to_scwrl_257051476.seq -o /var/tmp/from_scwrl_257051476.pdb > /var/tmp/scwrl_257051476.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_257051476.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 T0299 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1933464272.pdb -s /var/tmp/to_scwrl_1933464272.seq -o /var/tmp/from_scwrl_1933464272.pdb > /var/tmp/scwrl_1933464272.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1933464272.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 176 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1047773784.pdb -s /var/tmp/to_scwrl_1047773784.seq -o /var/tmp/from_scwrl_1047773784.pdb > /var/tmp/scwrl_1047773784.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1047773784.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 165 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1919480183.pdb -s /var/tmp/to_scwrl_1919480183.seq -o /var/tmp/from_scwrl_1919480183.pdb > /var/tmp/scwrl_1919480183.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1919480183.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 T0299 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_2016081564.pdb -s /var/tmp/to_scwrl_2016081564.seq -o /var/tmp/from_scwrl_2016081564.pdb > /var/tmp/scwrl_2016081564.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2016081564.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 174 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1025598271.pdb -s /var/tmp/to_scwrl_1025598271.seq -o /var/tmp/from_scwrl_1025598271.pdb > /var/tmp/scwrl_1025598271.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1025598271.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 T0299 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_584806330.pdb -s /var/tmp/to_scwrl_584806330.seq -o /var/tmp/from_scwrl_584806330.pdb > /var/tmp/scwrl_584806330.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_584806330.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 T0299 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_55080375.pdb -s /var/tmp/to_scwrl_55080375.seq -o /var/tmp/from_scwrl_55080375.pdb > /var/tmp/scwrl_55080375.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_55080375.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 T0299 can't currently be optimized by undertaker # naming current conformation FUGUE_AL3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_170710974.pdb -s /var/tmp/to_scwrl_170710974.seq -o /var/tmp/from_scwrl_170710974.pdb > /var/tmp/scwrl_170710974.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_170710974.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 T0299 can't currently be optimized by undertaker # naming current conformation FUGUE_AL4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_2113772847.pdb -s /var/tmp/to_scwrl_2113772847.seq -o /var/tmp/from_scwrl_2113772847.pdb > /var/tmp/scwrl_2113772847.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2113772847.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 T0299 can't currently be optimized by undertaker # naming current conformation FUGUE_AL5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1858326448.pdb -s /var/tmp/to_scwrl_1858326448.seq -o /var/tmp/from_scwrl_1858326448.pdb > /var/tmp/scwrl_1858326448.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1858326448.pdb # conformation set from SCWRL output # naming current conformation FUGUE_AL5-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS1.pdb.gz looking for model 1 # Found a chain break before 175 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1812591476.pdb -s /var/tmp/to_scwrl_1812591476.seq -o /var/tmp/from_scwrl_1812591476.pdb > /var/tmp/scwrl_1812591476.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1812591476.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 176 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1833377017.pdb -s /var/tmp/to_scwrl_1833377017.seq -o /var/tmp/from_scwrl_1833377017.pdb > /var/tmp/scwrl_1833377017.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1833377017.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS2-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS3.pdb.gz looking for model 1 # Found a chain break before 177 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1156228104.pdb -s /var/tmp/to_scwrl_1156228104.seq -o /var/tmp/from_scwrl_1156228104.pdb > /var/tmp/scwrl_1156228104.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1156228104.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS3-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS4.pdb.gz looking for model 1 # Found a chain break before 177 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1468147548.pdb -s /var/tmp/to_scwrl_1468147548.seq -o /var/tmp/from_scwrl_1468147548.pdb > /var/tmp/scwrl_1468147548.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1468147548.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 177 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_2045156148.pdb -s /var/tmp/to_scwrl_2045156148.seq -o /var/tmp/from_scwrl_2045156148.pdb > /var/tmp/scwrl_2045156148.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2045156148.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS5-scwrl # ReadConformPDB reading from PDB file servers/Frankenstein_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0299 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1839563462.pdb -s /var/tmp/to_scwrl_1839563462.seq -o /var/tmp/from_scwrl_1839563462.pdb > /var/tmp/scwrl_1839563462.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1839563462.pdb # conformation set from SCWRL output # naming current conformation Frankenstein_TS3-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS1.pdb.gz looking for model 1 # Found a chain break before 175 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_740645725.pdb -s /var/tmp/to_scwrl_740645725.seq -o /var/tmp/from_scwrl_740645725.pdb > /var/tmp/scwrl_740645725.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_740645725.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS1-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS2.pdb.gz looking for model 1 # Found a chain break before 93 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_918716270.pdb -s /var/tmp/to_scwrl_918716270.seq -o /var/tmp/from_scwrl_918716270.pdb > /var/tmp/scwrl_918716270.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_918716270.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS2-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS3.pdb.gz looking for model 1 # Found a chain break before 165 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1398435216.pdb -s /var/tmp/to_scwrl_1398435216.seq -o /var/tmp/from_scwrl_1398435216.pdb > /var/tmp/scwrl_1398435216.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1398435216.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS3-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS4.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_764262821.pdb -s /var/tmp/to_scwrl_764262821.seq -o /var/tmp/from_scwrl_764262821.pdb > /var/tmp/scwrl_764262821.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_764262821.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS4-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS5.pdb.gz looking for model 1 # Found a chain break before 175 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1112492933.pdb -s /var/tmp/to_scwrl_1112492933.seq -o /var/tmp/from_scwrl_1112492933.pdb > /var/tmp/scwrl_1112492933.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1112492933.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS5-scwrl # ReadConformPDB reading from PDB file servers/HHpred1_TS1.pdb.gz looking for model 1 # Found a chain break before 44 # copying to AlignedFragments data structure # naming current conformation HHpred1_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1736208795.pdb -s /var/tmp/to_scwrl_1736208795.seq -o /var/tmp/from_scwrl_1736208795.pdb > /var/tmp/scwrl_1736208795.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1736208795.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 74 # copying to AlignedFragments data structure # naming current conformation HHpred2_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1528411985.pdb -s /var/tmp/to_scwrl_1528411985.seq -o /var/tmp/from_scwrl_1528411985.pdb > /var/tmp/scwrl_1528411985.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1528411985.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 89 # copying to AlignedFragments data structure # naming current conformation HHpred3_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_883407557.pdb -s /var/tmp/to_scwrl_883407557.seq -o /var/tmp/from_scwrl_883407557.pdb > /var/tmp/scwrl_883407557.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_883407557.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 T0299 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1629438982.pdb -s /var/tmp/to_scwrl_1629438982.seq -o /var/tmp/from_scwrl_1629438982.pdb > /var/tmp/scwrl_1629438982.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1629438982.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 T0299 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_542142328.pdb -s /var/tmp/to_scwrl_542142328.seq -o /var/tmp/from_scwrl_542142328.pdb > /var/tmp/scwrl_542142328.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_542142328.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 T0299 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_187023079.pdb -s /var/tmp/to_scwrl_187023079.seq -o /var/tmp/from_scwrl_187023079.pdb > /var/tmp/scwrl_187023079.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_187023079.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 T0299 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1449131523.pdb -s /var/tmp/to_scwrl_1449131523.seq -o /var/tmp/from_scwrl_1449131523.pdb > /var/tmp/scwrl_1449131523.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1449131523.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 T0299 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1996855618.pdb -s /var/tmp/to_scwrl_1996855618.seq -o /var/tmp/from_scwrl_1996855618.pdb > /var/tmp/scwrl_1996855618.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1996855618.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 T0299 can't currently be optimized by undertaker # naming current conformation LOOPP_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1417169508.pdb -s /var/tmp/to_scwrl_1417169508.seq -o /var/tmp/from_scwrl_1417169508.pdb > /var/tmp/scwrl_1417169508.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1417169508.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 T0299 can't currently be optimized by undertaker # naming current conformation LOOPP_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1706182999.pdb -s /var/tmp/to_scwrl_1706182999.seq -o /var/tmp/from_scwrl_1706182999.pdb > /var/tmp/scwrl_1706182999.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1706182999.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 T0299 can't currently be optimized by undertaker # naming current conformation LOOPP_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1782836244.pdb -s /var/tmp/to_scwrl_1782836244.seq -o /var/tmp/from_scwrl_1782836244.pdb > /var/tmp/scwrl_1782836244.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1782836244.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 T0299 can't currently be optimized by undertaker # naming current conformation LOOPP_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_317459646.pdb -s /var/tmp/to_scwrl_317459646.seq -o /var/tmp/from_scwrl_317459646.pdb > /var/tmp/scwrl_317459646.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_317459646.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 T0299 can't currently be optimized by undertaker # naming current conformation LOOPP_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1478179535.pdb -s /var/tmp/to_scwrl_1478179535.seq -o /var/tmp/from_scwrl_1478179535.pdb > /var/tmp/scwrl_1478179535.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1478179535.pdb # conformation set from SCWRL output # naming current conformation LOOPP_TS5-scwrl # ReadConformPDB reading from PDB file servers/MIG_FROST_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0299 can't currently be optimized by undertaker # naming current conformation MIG_FROST_AL1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1651434161.pdb -s /var/tmp/to_scwrl_1651434161.seq -o /var/tmp/from_scwrl_1651434161.pdb > /var/tmp/scwrl_1651434161.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1651434161.pdb # conformation set from SCWRL output # naming current conformation MIG_FROST_AL1-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS1.pdb.gz looking for model 1 # Found a chain break before 141 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1343057916.pdb -s /var/tmp/to_scwrl_1343057916.seq -o /var/tmp/from_scwrl_1343057916.pdb > /var/tmp/scwrl_1343057916.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1343057916.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 174 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_2062985866.pdb -s /var/tmp/to_scwrl_2062985866.seq -o /var/tmp/from_scwrl_2062985866.pdb > /var/tmp/scwrl_2062985866.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2062985866.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 169 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1706514536.pdb -s /var/tmp/to_scwrl_1706514536.seq -o /var/tmp/from_scwrl_1706514536.pdb > /var/tmp/scwrl_1706514536.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1706514536.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 178 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1513768890.pdb -s /var/tmp/to_scwrl_1513768890.seq -o /var/tmp/from_scwrl_1513768890.pdb > /var/tmp/scwrl_1513768890.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1513768890.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 147 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_2029275066.pdb -s /var/tmp/to_scwrl_2029275066.seq -o /var/tmp/from_scwrl_2029275066.pdb > /var/tmp/scwrl_2029275066.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2029275066.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 167 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1417357338.pdb -s /var/tmp/to_scwrl_1417357338.seq -o /var/tmp/from_scwrl_1417357338.pdb > /var/tmp/scwrl_1417357338.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1417357338.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 166 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1178876719.pdb -s /var/tmp/to_scwrl_1178876719.seq -o /var/tmp/from_scwrl_1178876719.pdb > /var/tmp/scwrl_1178876719.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1178876719.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 167 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1715168436.pdb -s /var/tmp/to_scwrl_1715168436.seq -o /var/tmp/from_scwrl_1715168436.pdb > /var/tmp/scwrl_1715168436.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1715168436.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 179 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_426101796.pdb -s /var/tmp/to_scwrl_426101796.seq -o /var/tmp/from_scwrl_426101796.pdb > /var/tmp/scwrl_426101796.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_426101796.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 166 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_499540622.pdb -s /var/tmp/to_scwrl_499540622.seq -o /var/tmp/from_scwrl_499540622.pdb > /var/tmp/scwrl_499540622.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_499540622.pdb # conformation set from SCWRL output # naming current conformation MetaTasser_TS5-scwrl # ReadConformPDB reading from PDB file servers/NN_PUT_lab_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0299 can't currently be optimized by undertaker # naming current conformation NN_PUT_lab_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1612840937.pdb -s /var/tmp/to_scwrl_1612840937.seq -o /var/tmp/from_scwrl_1612840937.pdb > /var/tmp/scwrl_1612840937.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1612840937.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 162 ; scwrl3 -i /var/tmp/to_scwrl_118181612.pdb -s /var/tmp/to_scwrl_118181612.seq -o /var/tmp/from_scwrl_118181612.pdb > /var/tmp/scwrl_118181612.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_118181612.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 162 ; scwrl3 -i /var/tmp/to_scwrl_1240186346.pdb -s /var/tmp/to_scwrl_1240186346.seq -o /var/tmp/from_scwrl_1240186346.pdb > /var/tmp/scwrl_1240186346.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1240186346.pdb # conformation set from SCWRL output # naming current conformation PROTINFO-AB_TS2-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS3.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_384073560.pdb -s /var/tmp/to_scwrl_384073560.seq -o /var/tmp/from_scwrl_384073560.pdb > /var/tmp/scwrl_384073560.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_384073560.pdb # conformation set from SCWRL output # naming current conformation PROTINFO-AB_TS3-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS4.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1516616828.pdb -s /var/tmp/to_scwrl_1516616828.seq -o /var/tmp/from_scwrl_1516616828.pdb > /var/tmp/scwrl_1516616828.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1516616828.pdb # conformation set from SCWRL output # naming current conformation PROTINFO-AB_TS4-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS5.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_2004449167.pdb -s /var/tmp/to_scwrl_2004449167.seq -o /var/tmp/from_scwrl_2004449167.pdb > /var/tmp/scwrl_2004449167.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2004449167.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 T0299 can't currently be optimized by undertaker # naming current conformation PROTINFO_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1496566494.pdb -s /var/tmp/to_scwrl_1496566494.seq -o /var/tmp/from_scwrl_1496566494.pdb > /var/tmp/scwrl_1496566494.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1496566494.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 # naming current conformation PROTINFO_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1105341977.pdb -s /var/tmp/to_scwrl_1105341977.seq -o /var/tmp/from_scwrl_1105341977.pdb > /var/tmp/scwrl_1105341977.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1105341977.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 T0299 can't currently be optimized by undertaker # naming current conformation PROTINFO_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1385377505.pdb -s /var/tmp/to_scwrl_1385377505.seq -o /var/tmp/from_scwrl_1385377505.pdb > /var/tmp/scwrl_1385377505.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1385377505.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS3-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS4.pdb.gz looking for model 1 # naming current conformation PROTINFO_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_232490404.pdb -s /var/tmp/to_scwrl_232490404.seq -o /var/tmp/from_scwrl_232490404.pdb > /var/tmp/scwrl_232490404.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_232490404.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 T0299 can't currently be optimized by undertaker # naming current conformation PROTINFO_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_587297313.pdb -s /var/tmp/to_scwrl_587297313.seq -o /var/tmp/from_scwrl_587297313.pdb > /var/tmp/scwrl_587297313.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_587297313.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 T0299 can't currently be optimized by undertaker # naming current conformation Pcons6_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1927519833.pdb -s /var/tmp/to_scwrl_1927519833.seq -o /var/tmp/from_scwrl_1927519833.pdb > /var/tmp/scwrl_1927519833.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1927519833.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 # Found a chain break before 179 # copying to AlignedFragments data structure # naming current conformation Pcons6_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_419513484.pdb -s /var/tmp/to_scwrl_419513484.seq -o /var/tmp/from_scwrl_419513484.pdb > /var/tmp/scwrl_419513484.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_419513484.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 # Found a chain break before 133 # copying to AlignedFragments data structure # naming current conformation Pcons6_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_2036428837.pdb -s /var/tmp/to_scwrl_2036428837.seq -o /var/tmp/from_scwrl_2036428837.pdb > /var/tmp/scwrl_2036428837.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2036428837.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 # Found a chain break before 170 # copying to AlignedFragments data structure # naming current conformation Pcons6_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1776891804.pdb -s /var/tmp/to_scwrl_1776891804.seq -o /var/tmp/from_scwrl_1776891804.pdb > /var/tmp/scwrl_1776891804.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1776891804.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 # Found a chain break before 132 # copying to AlignedFragments data structure # naming current conformation Pcons6_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1836682992.pdb -s /var/tmp/to_scwrl_1836682992.seq -o /var/tmp/from_scwrl_1836682992.pdb > /var/tmp/scwrl_1836682992.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1836682992.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 T0299 can't currently be optimized by undertaker # naming current conformation Phyre-1_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1595128189.pdb -s /var/tmp/to_scwrl_1595128189.seq -o /var/tmp/from_scwrl_1595128189.pdb > /var/tmp/scwrl_1595128189.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1595128189.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 # WARNING: incomplete conformation T0299 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1412244401.pdb -s /var/tmp/to_scwrl_1412244401.seq -o /var/tmp/from_scwrl_1412244401.pdb > /var/tmp/scwrl_1412244401.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1412244401.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 # WARNING: incomplete conformation T0299 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_6658991.pdb -s /var/tmp/to_scwrl_6658991.seq -o /var/tmp/from_scwrl_6658991.pdb > /var/tmp/scwrl_6658991.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_6658991.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 # WARNING: incomplete conformation T0299 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_925824079.pdb -s /var/tmp/to_scwrl_925824079.seq -o /var/tmp/from_scwrl_925824079.pdb > /var/tmp/scwrl_925824079.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_925824079.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 # WARNING: incomplete conformation T0299 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_916194916.pdb -s /var/tmp/to_scwrl_916194916.seq -o /var/tmp/from_scwrl_916194916.pdb > /var/tmp/scwrl_916194916.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_916194916.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS4-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0299 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1349716908.pdb -s /var/tmp/to_scwrl_1349716908.seq -o /var/tmp/from_scwrl_1349716908.pdb > /var/tmp/scwrl_1349716908.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1349716908.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS5-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS1.pdb.gz looking for model 1 # Found a chain break before 103 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_841326298.pdb -s /var/tmp/to_scwrl_841326298.seq -o /var/tmp/from_scwrl_841326298.pdb > /var/tmp/scwrl_841326298.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_841326298.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 # Found a chain break before 170 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_475225806.pdb -s /var/tmp/to_scwrl_475225806.seq -o /var/tmp/from_scwrl_475225806.pdb > /var/tmp/scwrl_475225806.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_475225806.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 # Found a chain break before 179 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_716002152.pdb -s /var/tmp/to_scwrl_716002152.seq -o /var/tmp/from_scwrl_716002152.pdb > /var/tmp/scwrl_716002152.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_716002152.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 # Found a chain break before 133 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_723117717.pdb -s /var/tmp/to_scwrl_723117717.seq -o /var/tmp/from_scwrl_723117717.pdb > /var/tmp/scwrl_723117717.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_723117717.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS4-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS5.pdb.gz looking for model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1892583144.pdb -s /var/tmp/to_scwrl_1892583144.seq -o /var/tmp/from_scwrl_1892583144.pdb > /var/tmp/scwrl_1892583144.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1892583144.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 150 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1894878872.pdb -s /var/tmp/to_scwrl_1894878872.seq -o /var/tmp/from_scwrl_1894878872.pdb > /var/tmp/scwrl_1894878872.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1894878872.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 138 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_290802506.pdb -s /var/tmp/to_scwrl_290802506.seq -o /var/tmp/from_scwrl_290802506.pdb > /var/tmp/scwrl_290802506.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_290802506.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 178 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_171201293.pdb -s /var/tmp/to_scwrl_171201293.seq -o /var/tmp/from_scwrl_171201293.pdb > /var/tmp/scwrl_171201293.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_171201293.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 174 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_246935847.pdb -s /var/tmp/to_scwrl_246935847.seq -o /var/tmp/from_scwrl_246935847.pdb > /var/tmp/scwrl_246935847.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_246935847.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 170 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1903643444.pdb -s /var/tmp/to_scwrl_1903643444.seq -o /var/tmp/from_scwrl_1903643444.pdb > /var/tmp/scwrl_1903643444.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1903643444.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 157 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_289382905.pdb -s /var/tmp/to_scwrl_289382905.seq -o /var/tmp/from_scwrl_289382905.pdb > /var/tmp/scwrl_289382905.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_289382905.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 155 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1487122193.pdb -s /var/tmp/to_scwrl_1487122193.seq -o /var/tmp/from_scwrl_1487122193.pdb > /var/tmp/scwrl_1487122193.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1487122193.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 151 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_140233357.pdb -s /var/tmp/to_scwrl_140233357.seq -o /var/tmp/from_scwrl_140233357.pdb > /var/tmp/scwrl_140233357.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_140233357.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 157 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1805999734.pdb -s /var/tmp/to_scwrl_1805999734.seq -o /var/tmp/from_scwrl_1805999734.pdb > /var/tmp/scwrl_1805999734.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1805999734.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 178 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1344087713.pdb -s /var/tmp/to_scwrl_1344087713.seq -o /var/tmp/from_scwrl_1344087713.pdb > /var/tmp/scwrl_1344087713.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1344087713.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 156 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1636799851.pdb -s /var/tmp/to_scwrl_1636799851.seq -o /var/tmp/from_scwrl_1636799851.pdb > /var/tmp/scwrl_1636799851.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1636799851.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 132 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_763858065.pdb -s /var/tmp/to_scwrl_763858065.seq -o /var/tmp/from_scwrl_763858065.pdb > /var/tmp/scwrl_763858065.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_763858065.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 137 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_581981572.pdb -s /var/tmp/to_scwrl_581981572.seq -o /var/tmp/from_scwrl_581981572.pdb > /var/tmp/scwrl_581981572.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_581981572.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 135 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1869290256.pdb -s /var/tmp/to_scwrl_1869290256.seq -o /var/tmp/from_scwrl_1869290256.pdb > /var/tmp/scwrl_1869290256.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1869290256.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 167 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1351155377.pdb -s /var/tmp/to_scwrl_1351155377.seq -o /var/tmp/from_scwrl_1351155377.pdb > /var/tmp/scwrl_1351155377.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1351155377.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 103 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_362017758.pdb -s /var/tmp/to_scwrl_362017758.seq -o /var/tmp/from_scwrl_362017758.pdb > /var/tmp/scwrl_362017758.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_362017758.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 167 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_141320093.pdb -s /var/tmp/to_scwrl_141320093.seq -o /var/tmp/from_scwrl_141320093.pdb > /var/tmp/scwrl_141320093.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_141320093.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 44 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1240100567.pdb -s /var/tmp/to_scwrl_1240100567.seq -o /var/tmp/from_scwrl_1240100567.pdb > /var/tmp/scwrl_1240100567.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1240100567.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 132 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_2138909562.pdb -s /var/tmp/to_scwrl_2138909562.seq -o /var/tmp/from_scwrl_2138909562.pdb > /var/tmp/scwrl_2138909562.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2138909562.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 33 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1978003085.pdb -s /var/tmp/to_scwrl_1978003085.seq -o /var/tmp/from_scwrl_1978003085.pdb > /var/tmp/scwrl_1978003085.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1978003085.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 WARNING: atoms too close: (T0299)K16.CA and (T0299)K16.CB only 0.000 apart, marking (T0299)K16.CB as missing WARNING: atoms too close: (T0299)K18.CA and (T0299)K18.CB only 0.000 apart, marking (T0299)K18.CB as missing WARNING: atoms too close: (T0299)N30.CA and (T0299)N30.CB only 0.000 apart, marking (T0299)N30.CB as missing WARNING: atoms too close: (T0299)K35.CA and (T0299)K35.CB only 0.000 apart, marking (T0299)K35.CB as missing WARNING: atoms too close: (T0299)I50.CA and (T0299)I50.CB only 0.000 apart, marking (T0299)I50.CB as missing WARNING: atoms too close: (T0299)Q72.CA and (T0299)Q72.CB only 0.000 apart, marking (T0299)Q72.CB as missing WARNING: atoms too close: (T0299)L79.CA and (T0299)L79.CB only 0.000 apart, marking (T0299)L79.CB as missing WARNING: atoms too close: (T0299)F82.CA and (T0299)F82.CB only 0.000 apart, marking (T0299)F82.CB as missing WARNING: atoms too close: (T0299)E85.CA and (T0299)E85.CB only 0.000 apart, marking (T0299)E85.CB as missing WARNING: atoms too close: (T0299)E87.CA and (T0299)E87.CB only 0.000 apart, marking (T0299)E87.CB as missing WARNING: atoms too close: (T0299)A91.CA and (T0299)A91.CB only 0.000 apart, marking (T0299)A91.CB as missing WARNING: atoms too close: (T0299)Y105.CA and (T0299)Y105.CB only 0.000 apart, marking (T0299)Y105.CB as missing WARNING: atoms too close: (T0299)E107.CA and (T0299)E107.CB only 0.000 apart, marking (T0299)E107.CB as missing WARNING: atoms too close: (T0299)E122.CA and (T0299)E122.CB only 0.000 apart, marking (T0299)E122.CB as missing WARNING: atoms too close: (T0299)F130.CA and (T0299)F130.CB only 0.000 apart, marking (T0299)F130.CB as missing WARNING: atoms too close: (T0299)K139.CA and (T0299)K139.CB only 0.000 apart, marking (T0299)K139.CB as missing WARNING: atoms too close: (T0299)E142.CA and (T0299)E142.CB only 0.000 apart, marking (T0299)E142.CB as missing WARNING: atoms too close: (T0299)Y150.CA and (T0299)Y150.CB only 0.000 apart, marking (T0299)Y150.CB as missing WARNING: atoms too close: (T0299)K173.CA and (T0299)K173.CB only 0.000 apart, marking (T0299)K173.CB as missing # WARNING: incomplete conformation T0299 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_687745111.pdb -s /var/tmp/to_scwrl_687745111.seq -o /var/tmp/from_scwrl_687745111.pdb > /var/tmp/scwrl_687745111.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_687745111.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 WARNING: atoms too close: (T0299)K16.CA and (T0299)K16.CB only 0.000 apart, marking (T0299)K16.CB as missing WARNING: atoms too close: (T0299)M21.CA and (T0299)M21.CB only 0.000 apart, marking (T0299)M21.CB as missing WARNING: atoms too close: (T0299)L33.CA and (T0299)L33.CB only 0.000 apart, marking (T0299)L33.CB as missing WARNING: atoms too close: (T0299)S49.CA and (T0299)S49.CB only 0.000 apart, marking (T0299)S49.CB as missing WARNING: atoms too close: (T0299)I50.CA and (T0299)I50.CB only 0.000 apart, marking (T0299)I50.CB as missing WARNING: atoms too close: (T0299)V66.CA and (T0299)V66.CB only 0.000 apart, marking (T0299)V66.CB as missing WARNING: atoms too close: (T0299)P69.CA and (T0299)P69.CB only 0.000 apart, marking (T0299)P69.CB as missing WARNING: atoms too close: (T0299)L103.CA and (T0299)L103.CB only 0.000 apart, marking (T0299)L103.CB as missing WARNING: atoms too close: (T0299)V111.CA and (T0299)V111.CB only 0.000 apart, marking (T0299)V111.CB as missing WARNING: atoms too close: (T0299)E126.CA and (T0299)E126.CB only 0.000 apart, marking (T0299)E126.CB as missing WARNING: atoms too close: (T0299)Y129.CA and (T0299)Y129.CB only 0.000 apart, marking (T0299)Y129.CB as missing WARNING: atoms too close: (T0299)L133.CA and (T0299)L133.CB only 0.000 apart, marking (T0299)L133.CB as missing WARNING: atoms too close: (T0299)F136.CA and (T0299)F136.CB only 0.000 apart, marking (T0299)F136.CB as missing WARNING: atoms too close: (T0299)Y145.CA and (T0299)Y145.CB only 0.000 apart, marking (T0299)Y145.CB as missing WARNING: atoms too close: (T0299)L155.CA and (T0299)L155.CB only 0.000 apart, marking (T0299)L155.CB as missing WARNING: atoms too close: (T0299)A168.CA and (T0299)A168.CB only 0.000 apart, marking (T0299)A168.CB as missing # WARNING: incomplete conformation T0299 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1403670317.pdb -s /var/tmp/to_scwrl_1403670317.seq -o /var/tmp/from_scwrl_1403670317.pdb > /var/tmp/scwrl_1403670317.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1403670317.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 WARNING: atoms too close: (T0299)V8.CA and (T0299)V8.CB only 0.000 apart, marking (T0299)V8.CB as missing WARNING: atoms too close: (T0299)I11.CA and (T0299)I11.CB only 0.000 apart, marking (T0299)I11.CB as missing WARNING: atoms too close: (T0299)R25.CA and (T0299)R25.CB only 0.000 apart, marking (T0299)R25.CB as missing WARNING: atoms too close: (T0299)N30.CA and (T0299)N30.CB only 0.000 apart, marking (T0299)N30.CB as missing WARNING: atoms too close: (T0299)K53.CA and (T0299)K53.CB only 0.000 apart, marking (T0299)K53.CB as missing WARNING: atoms too close: (T0299)E58.CA and (T0299)E58.CB only 0.000 apart, marking (T0299)E58.CB as missing WARNING: atoms too close: (T0299)K59.CA and (T0299)K59.CB only 0.000 apart, marking (T0299)K59.CB as missing WARNING: atoms too close: (T0299)F70.CA and (T0299)F70.CB only 0.000 apart, marking (T0299)F70.CB as missing WARNING: atoms too close: (T0299)F74.CA and (T0299)F74.CB only 0.000 apart, marking (T0299)F74.CB as missing WARNING: atoms too close: (T0299)F82.CA and (T0299)F82.CB only 0.000 apart, marking (T0299)F82.CB as missing WARNING: atoms too close: (T0299)E85.CA and (T0299)E85.CB only 0.000 apart, marking (T0299)E85.CB as missing WARNING: atoms too close: (T0299)N88.CA and (T0299)N88.CB only 0.000 apart, marking (T0299)N88.CB as missing WARNING: atoms too close: (T0299)W92.CA and (T0299)W92.CB only 0.000 apart, marking (T0299)W92.CB as missing WARNING: atoms too close: (T0299)A98.CA and (T0299)A98.CB only 0.000 apart, marking (T0299)A98.CB as missing WARNING: atoms too close: (T0299)K100.CA and (T0299)K100.CB only 0.000 apart, marking (T0299)K100.CB as missing WARNING: atoms too close: (T0299)E119.CA and (T0299)E119.CB only 0.000 apart, marking (T0299)E119.CB as missing WARNING: atoms too close: (T0299)L121.CA and (T0299)L121.CB only 0.000 apart, marking (T0299)L121.CB as missing WARNING: atoms too close: (T0299)E126.CA and (T0299)E126.CB only 0.000 apart, marking (T0299)E126.CB as missing WARNING: atoms too close: (T0299)F130.CA and (T0299)F130.CB only 0.000 apart, marking (T0299)F130.CB as missing WARNING: atoms too close: (T0299)K139.CA and (T0299)K139.CB only 0.000 apart, marking (T0299)K139.CB as missing WARNING: atoms too close: (T0299)Y145.CA and (T0299)Y145.CB only 0.000 apart, marking (T0299)Y145.CB as missing WARNING: atoms too close: (T0299)L155.CA and (T0299)L155.CB only 0.000 apart, marking (T0299)L155.CB as missing WARNING: atoms too close: (T0299)K180.CA and (T0299)K180.CB only 0.000 apart, marking (T0299)K180.CB as missing # WARNING: incomplete conformation T0299 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1984662077.pdb -s /var/tmp/to_scwrl_1984662077.seq -o /var/tmp/from_scwrl_1984662077.pdb > /var/tmp/scwrl_1984662077.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1984662077.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 WARNING: atoms too close: (T0299)Y4.CA and (T0299)Y4.CB only 0.000 apart, marking (T0299)Y4.CB as missing WARNING: atoms too close: (T0299)A5.CA and (T0299)A5.CB only 0.000 apart, marking (T0299)A5.CB as missing WARNING: atoms too close: (T0299)L6.CA and (T0299)L6.CB only 0.000 apart, marking (T0299)L6.CB as missing WARNING: atoms too close: (T0299)I11.CA and (T0299)I11.CB only 0.000 apart, marking (T0299)I11.CB as missing WARNING: atoms too close: (T0299)K16.CA and (T0299)K16.CB only 0.000 apart, marking (T0299)K16.CB as missing WARNING: atoms too close: (T0299)V19.CA and (T0299)V19.CB only 0.000 apart, marking (T0299)V19.CB as missing WARNING: atoms too close: (T0299)L33.CA and (T0299)L33.CB only 0.000 apart, marking (T0299)L33.CB as missing WARNING: atoms too close: (T0299)I45.CA and (T0299)I45.CB only 0.000 apart, marking (T0299)I45.CB as missing WARNING: atoms too close: (T0299)Y68.CA and (T0299)Y68.CB only 0.000 apart, marking (T0299)Y68.CB as missing WARNING: atoms too close: (T0299)P69.CA and (T0299)P69.CB only 0.000 apart, marking (T0299)P69.CB as missing WARNING: atoms too close: (T0299)F70.CA and (T0299)F70.CB only 0.000 apart, marking (T0299)F70.CB as missing WARNING: atoms too close: (T0299)Q72.CA and (T0299)Q72.CB only 0.000 apart, marking (T0299)Q72.CB as missing WARNING: atoms too close: (T0299)F82.CA and (T0299)F82.CB only 0.000 apart, marking (T0299)F82.CB as missing WARNING: atoms too close: (T0299)L89.CA and (T0299)L89.CB only 0.000 apart, marking (T0299)L89.CB as missing WARNING: atoms too close: (T0299)A91.CA and (T0299)A91.CB only 0.000 apart, marking (T0299)A91.CB as missing WARNING: atoms too close: (T0299)L128.CA and (T0299)L128.CB only 0.000 apart, marking (T0299)L128.CB as missing WARNING: atoms too close: (T0299)F130.CA and (T0299)F130.CB only 0.000 apart, marking (T0299)F130.CB as missing WARNING: atoms too close: (T0299)K132.CA and (T0299)K132.CB only 0.000 apart, marking (T0299)K132.CB as missing WARNING: atoms too close: (T0299)L133.CA and (T0299)L133.CB only 0.000 apart, marking (T0299)L133.CB as missing WARNING: atoms too close: (T0299)W137.CA and (T0299)W137.CB only 0.000 apart, marking (T0299)W137.CB as missing WARNING: atoms too close: (T0299)E143.CA and (T0299)E143.CB only 0.000 apart, marking (T0299)E143.CB as missing WARNING: atoms too close: (T0299)Y153.CA and (T0299)Y153.CB only 0.000 apart, marking (T0299)Y153.CB as missing WARNING: atoms too close: (T0299)K156.CA and (T0299)K156.CB only 0.000 apart, marking (T0299)K156.CB as missing # WARNING: incomplete conformation T0299 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1613569189.pdb -s /var/tmp/to_scwrl_1613569189.seq -o /var/tmp/from_scwrl_1613569189.pdb > /var/tmp/scwrl_1613569189.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1613569189.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 WARNING: atoms too close: (T0299)L28.CA and (T0299)L28.CB only 0.000 apart, marking (T0299)L28.CB as missing WARNING: atoms too close: (T0299)T29.CA and (T0299)T29.CB only 0.000 apart, marking (T0299)T29.CB as missing WARNING: atoms too close: (T0299)K35.CA and (T0299)K35.CB only 0.000 apart, marking (T0299)K35.CB as missing WARNING: atoms too close: (T0299)Y39.CA and (T0299)Y39.CB only 0.000 apart, marking (T0299)Y39.CB as missing WARNING: atoms too close: (T0299)S49.CA and (T0299)S49.CB only 0.000 apart, marking (T0299)S49.CB as missing WARNING: atoms too close: (T0299)D51.CA and (T0299)D51.CB only 0.000 apart, marking (T0299)D51.CB as missing WARNING: atoms too close: (T0299)F64.CA and (T0299)F64.CB only 0.000 apart, marking (T0299)F64.CB as missing WARNING: atoms too close: (T0299)V66.CA and (T0299)V66.CB only 0.000 apart, marking (T0299)V66.CB as missing WARNING: atoms too close: (T0299)Y68.CA and (T0299)Y68.CB only 0.000 apart, marking (T0299)Y68.CB as missing WARNING: atoms too close: (T0299)F74.CA and (T0299)F74.CB only 0.000 apart, marking (T0299)F74.CB as missing WARNING: atoms too close: (T0299)L76.CA and (T0299)L76.CB only 0.000 apart, marking (T0299)L76.CB as missing WARNING: atoms too close: (T0299)L79.CA and (T0299)L79.CB only 0.000 apart, marking (T0299)L79.CB as missing WARNING: atoms too close: (T0299)E80.CA and (T0299)E80.CB only 0.000 apart, marking (T0299)E80.CB as missing WARNING: atoms too close: (T0299)E85.CA and (T0299)E85.CB only 0.000 apart, marking (T0299)E85.CB as missing WARNING: atoms too close: (T0299)L86.CA and (T0299)L86.CB only 0.000 apart, marking (T0299)L86.CB as missing WARNING: atoms too close: (T0299)A91.CA and (T0299)A91.CB only 0.000 apart, marking (T0299)A91.CB as missing WARNING: atoms too close: (T0299)S94.CA and (T0299)S94.CB only 0.000 apart, marking (T0299)S94.CB as missing WARNING: atoms too close: (T0299)L103.CA and (T0299)L103.CB only 0.000 apart, marking (T0299)L103.CB as missing WARNING: atoms too close: (T0299)V118.CA and (T0299)V118.CB only 0.000 apart, marking (T0299)V118.CB as missing WARNING: atoms too close: (T0299)E126.CA and (T0299)E126.CB only 0.000 apart, marking (T0299)E126.CB as missing WARNING: atoms too close: (T0299)K139.CA and (T0299)K139.CB only 0.000 apart, marking (T0299)K139.CB as missing WARNING: atoms too close: (T0299)S144.CA and (T0299)S144.CB only 0.000 apart, marking (T0299)S144.CB as missing WARNING: atoms too close: (T0299)L155.CA and (T0299)L155.CB only 0.000 apart, marking (T0299)L155.CB as missing WARNING: atoms too close: (T0299)P158.CA and (T0299)P158.CB only 0.000 apart, marking (T0299)P158.CB as missing WARNING: atoms too close: (T0299)F171.CA and (T0299)F171.CB only 0.000 apart, marking (T0299)F171.CB as missing # WARNING: incomplete conformation T0299 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_172381586.pdb -s /var/tmp/to_scwrl_172381586.seq -o /var/tmp/from_scwrl_172381586.pdb > /var/tmp/scwrl_172381586.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_172381586.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 T0299 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1186895338.pdb -s /var/tmp/to_scwrl_1186895338.seq -o /var/tmp/from_scwrl_1186895338.pdb > /var/tmp/scwrl_1186895338.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1186895338.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 T0299 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_307411840.pdb -s /var/tmp/to_scwrl_307411840.seq -o /var/tmp/from_scwrl_307411840.pdb > /var/tmp/scwrl_307411840.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_307411840.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 T0299 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_647607392.pdb -s /var/tmp/to_scwrl_647607392.seq -o /var/tmp/from_scwrl_647607392.pdb > /var/tmp/scwrl_647607392.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_647607392.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 T0299 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1902897490.pdb -s /var/tmp/to_scwrl_1902897490.seq -o /var/tmp/from_scwrl_1902897490.pdb > /var/tmp/scwrl_1902897490.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1902897490.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 # WARNING: incomplete conformation T0299 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1030529557.pdb -s /var/tmp/to_scwrl_1030529557.seq -o /var/tmp/from_scwrl_1030529557.pdb > /var/tmp/scwrl_1030529557.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1030529557.pdb # conformation set from SCWRL output # naming current conformation SAM-T02_AL5-scwrl # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS1.pdb.gz looking for model 1 # Found a chain break before 165 # copying to AlignedFragments data structure # naming current conformation SAM_T06_server_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_392706889.pdb -s /var/tmp/to_scwrl_392706889.seq -o /var/tmp/from_scwrl_392706889.pdb > /var/tmp/scwrl_392706889.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_392706889.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 T0299 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1650292715.pdb -s /var/tmp/to_scwrl_1650292715.seq -o /var/tmp/from_scwrl_1650292715.pdb > /var/tmp/scwrl_1650292715.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1650292715.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 T0299 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1321332062.pdb -s /var/tmp/to_scwrl_1321332062.seq -o /var/tmp/from_scwrl_1321332062.pdb > /var/tmp/scwrl_1321332062.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1321332062.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 T0299 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_563908183.pdb -s /var/tmp/to_scwrl_563908183.seq -o /var/tmp/from_scwrl_563908183.pdb > /var/tmp/scwrl_563908183.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_563908183.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 T0299 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1897228562.pdb -s /var/tmp/to_scwrl_1897228562.seq -o /var/tmp/from_scwrl_1897228562.pdb > /var/tmp/scwrl_1897228562.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1897228562.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 161 # copying to AlignedFragments data structure # naming current conformation SP3_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1077491859.pdb -s /var/tmp/to_scwrl_1077491859.seq -o /var/tmp/from_scwrl_1077491859.pdb > /var/tmp/scwrl_1077491859.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1077491859.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 172 # copying to AlignedFragments data structure # naming current conformation SP3_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_853291088.pdb -s /var/tmp/to_scwrl_853291088.seq -o /var/tmp/from_scwrl_853291088.pdb > /var/tmp/scwrl_853291088.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_853291088.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 98 # copying to AlignedFragments data structure # naming current conformation SP3_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1236867108.pdb -s /var/tmp/to_scwrl_1236867108.seq -o /var/tmp/from_scwrl_1236867108.pdb > /var/tmp/scwrl_1236867108.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1236867108.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 157 # copying to AlignedFragments data structure # naming current conformation SP3_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1217725217.pdb -s /var/tmp/to_scwrl_1217725217.seq -o /var/tmp/from_scwrl_1217725217.pdb > /var/tmp/scwrl_1217725217.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1217725217.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 148 # copying to AlignedFragments data structure # naming current conformation SP3_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_511807175.pdb -s /var/tmp/to_scwrl_511807175.seq -o /var/tmp/from_scwrl_511807175.pdb > /var/tmp/scwrl_511807175.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_511807175.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 146 # copying to AlignedFragments data structure # naming current conformation SP4_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_433471175.pdb -s /var/tmp/to_scwrl_433471175.seq -o /var/tmp/from_scwrl_433471175.pdb > /var/tmp/scwrl_433471175.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_433471175.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 134 # copying to AlignedFragments data structure # naming current conformation SP4_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_707041422.pdb -s /var/tmp/to_scwrl_707041422.seq -o /var/tmp/from_scwrl_707041422.pdb > /var/tmp/scwrl_707041422.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_707041422.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 175 # copying to AlignedFragments data structure # naming current conformation SP4_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1275665239.pdb -s /var/tmp/to_scwrl_1275665239.seq -o /var/tmp/from_scwrl_1275665239.pdb > /var/tmp/scwrl_1275665239.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1275665239.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 157 # copying to AlignedFragments data structure # naming current conformation SP4_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1015452747.pdb -s /var/tmp/to_scwrl_1015452747.seq -o /var/tmp/from_scwrl_1015452747.pdb > /var/tmp/scwrl_1015452747.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1015452747.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 90 # copying to AlignedFragments data structure # naming current conformation SP4_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_428848031.pdb -s /var/tmp/to_scwrl_428848031.seq -o /var/tmp/from_scwrl_428848031.pdb > /var/tmp/scwrl_428848031.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_428848031.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 175 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_479336971.pdb -s /var/tmp/to_scwrl_479336971.seq -o /var/tmp/from_scwrl_479336971.pdb > /var/tmp/scwrl_479336971.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_479336971.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 155 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1377470504.pdb -s /var/tmp/to_scwrl_1377470504.seq -o /var/tmp/from_scwrl_1377470504.pdb > /var/tmp/scwrl_1377470504.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1377470504.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 105 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_570168124.pdb -s /var/tmp/to_scwrl_570168124.seq -o /var/tmp/from_scwrl_570168124.pdb > /var/tmp/scwrl_570168124.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_570168124.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 148 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1719437538.pdb -s /var/tmp/to_scwrl_1719437538.seq -o /var/tmp/from_scwrl_1719437538.pdb > /var/tmp/scwrl_1719437538.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1719437538.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 103 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1368896420.pdb -s /var/tmp/to_scwrl_1368896420.seq -o /var/tmp/from_scwrl_1368896420.pdb > /var/tmp/scwrl_1368896420.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1368896420.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 T0299 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_400687563.pdb -s /var/tmp/to_scwrl_400687563.seq -o /var/tmp/from_scwrl_400687563.pdb > /var/tmp/scwrl_400687563.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_400687563.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 T0299 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_259699002.pdb -s /var/tmp/to_scwrl_259699002.seq -o /var/tmp/from_scwrl_259699002.pdb > /var/tmp/scwrl_259699002.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_259699002.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 T0299 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_625083091.pdb -s /var/tmp/to_scwrl_625083091.seq -o /var/tmp/from_scwrl_625083091.pdb > /var/tmp/scwrl_625083091.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_625083091.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 T0299 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_237865993.pdb -s /var/tmp/to_scwrl_237865993.seq -o /var/tmp/from_scwrl_237865993.pdb > /var/tmp/scwrl_237865993.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_237865993.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 T0299 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1873268191.pdb -s /var/tmp/to_scwrl_1873268191.seq -o /var/tmp/from_scwrl_1873268191.pdb > /var/tmp/scwrl_1873268191.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1873268191.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 T0299 can't currently be optimized by undertaker # naming current conformation UNI-EID_expm_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_797464677.pdb -s /var/tmp/to_scwrl_797464677.seq -o /var/tmp/from_scwrl_797464677.pdb > /var/tmp/scwrl_797464677.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_797464677.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 T0299 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1424761331.pdb -s /var/tmp/to_scwrl_1424761331.seq -o /var/tmp/from_scwrl_1424761331.pdb > /var/tmp/scwrl_1424761331.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1424761331.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 T0299 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_33196384.pdb -s /var/tmp/to_scwrl_33196384.seq -o /var/tmp/from_scwrl_33196384.pdb > /var/tmp/scwrl_33196384.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_33196384.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 T0299 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1445072069.pdb -s /var/tmp/to_scwrl_1445072069.seq -o /var/tmp/from_scwrl_1445072069.pdb > /var/tmp/scwrl_1445072069.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1445072069.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 T0299 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1180175174.pdb -s /var/tmp/to_scwrl_1180175174.seq -o /var/tmp/from_scwrl_1180175174.pdb > /var/tmp/scwrl_1180175174.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1180175174.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 T0299 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1063725941.pdb -s /var/tmp/to_scwrl_1063725941.seq -o /var/tmp/from_scwrl_1063725941.pdb > /var/tmp/scwrl_1063725941.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1063725941.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 166 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1837778958.pdb -s /var/tmp/to_scwrl_1837778958.seq -o /var/tmp/from_scwrl_1837778958.pdb > /var/tmp/scwrl_1837778958.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1837778958.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 167 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_682984244.pdb -s /var/tmp/to_scwrl_682984244.seq -o /var/tmp/from_scwrl_682984244.pdb > /var/tmp/scwrl_682984244.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_682984244.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 174 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_237574357.pdb -s /var/tmp/to_scwrl_237574357.seq -o /var/tmp/from_scwrl_237574357.pdb > /var/tmp/scwrl_237574357.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_237574357.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 167 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_254203494.pdb -s /var/tmp/to_scwrl_254203494.seq -o /var/tmp/from_scwrl_254203494.pdb > /var/tmp/scwrl_254203494.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_254203494.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 177 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_432729159.pdb -s /var/tmp/to_scwrl_432729159.seq -o /var/tmp/from_scwrl_432729159.pdb > /var/tmp/scwrl_432729159.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_432729159.pdb # conformation set from SCWRL output # naming current conformation Zhang-Server_TS5-scwrl # ReadConformPDB reading from PDB file servers/beautshot_TS1.pdb.gz looking for model 1 # Found a chain break before 174 # copying to AlignedFragments data structure # naming current conformation beautshot_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1315066216.pdb -s /var/tmp/to_scwrl_1315066216.seq -o /var/tmp/from_scwrl_1315066216.pdb > /var/tmp/scwrl_1315066216.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1315066216.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 # Found a chain break before 174 # copying to AlignedFragments data structure # naming current conformation beautshotbase_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1107494582.pdb -s /var/tmp/to_scwrl_1107494582.seq -o /var/tmp/from_scwrl_1107494582.pdb > /var/tmp/scwrl_1107494582.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1107494582.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 T0299 can't currently be optimized by undertaker # naming current conformation forecast-s_AL1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1669596268.pdb -s /var/tmp/to_scwrl_1669596268.seq -o /var/tmp/from_scwrl_1669596268.pdb > /var/tmp/scwrl_1669596268.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1669596268.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 T0299 can't currently be optimized by undertaker # naming current conformation forecast-s_AL2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_385307787.pdb -s /var/tmp/to_scwrl_385307787.seq -o /var/tmp/from_scwrl_385307787.pdb > /var/tmp/scwrl_385307787.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_385307787.pdb # conformation set from SCWRL output # naming current conformation forecast-s_AL2-scwrl # ReadConformPDB reading from PDB file servers/forecast-s_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0299 can't currently be optimized by undertaker # naming current conformation forecast-s_AL3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1619301757.pdb -s /var/tmp/to_scwrl_1619301757.seq -o /var/tmp/from_scwrl_1619301757.pdb > /var/tmp/scwrl_1619301757.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1619301757.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 Skipped atom 5, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL4.pdb.gz # WARNING: incomplete conformation T0299 can't currently be optimized by undertaker # naming current conformation forecast-s_AL4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_2103067443.pdb -s /var/tmp/to_scwrl_2103067443.seq -o /var/tmp/from_scwrl_2103067443.pdb > /var/tmp/scwrl_2103067443.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2103067443.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 T0299 can't currently be optimized by undertaker # naming current conformation forecast-s_AL5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1092349209.pdb -s /var/tmp/to_scwrl_1092349209.seq -o /var/tmp/from_scwrl_1092349209.pdb > /var/tmp/scwrl_1092349209.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1092349209.pdb # conformation set from SCWRL output # naming current conformation forecast-s_AL5-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS1.pdb.gz looking for model 1 # Found a chain break before 173 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_747483351.pdb -s /var/tmp/to_scwrl_747483351.seq -o /var/tmp/from_scwrl_747483351.pdb > /var/tmp/scwrl_747483351.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_747483351.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 161 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_971036544.pdb -s /var/tmp/to_scwrl_971036544.seq -o /var/tmp/from_scwrl_971036544.pdb > /var/tmp/scwrl_971036544.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_971036544.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 157 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1521197240.pdb -s /var/tmp/to_scwrl_1521197240.seq -o /var/tmp/from_scwrl_1521197240.pdb > /var/tmp/scwrl_1521197240.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1521197240.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 177 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1226820321.pdb -s /var/tmp/to_scwrl_1226820321.seq -o /var/tmp/from_scwrl_1226820321.pdb > /var/tmp/scwrl_1226820321.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1226820321.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 174 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_201023401.pdb -s /var/tmp/to_scwrl_201023401.seq -o /var/tmp/from_scwrl_201023401.pdb > /var/tmp/scwrl_201023401.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_201023401.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 # Found a chain break before 178 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_2091365365.pdb -s /var/tmp/to_scwrl_2091365365.seq -o /var/tmp/from_scwrl_2091365365.pdb > /var/tmp/scwrl_2091365365.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2091365365.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 177 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_798774213.pdb -s /var/tmp/to_scwrl_798774213.seq -o /var/tmp/from_scwrl_798774213.pdb > /var/tmp/scwrl_798774213.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_798774213.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: (T0299)G131.O and (T0299)K132.N only 0.000 apart, marking (T0299)K132.N as missing # WARNING: incomplete conformation T0299 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 162 ; scwrl3 -i /var/tmp/to_scwrl_1569919821.pdb -s /var/tmp/to_scwrl_1569919821.seq -o /var/tmp/from_scwrl_1569919821.pdb > /var/tmp/scwrl_1569919821.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1569919821.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 # Found a chain break before 177 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_344569281.pdb -s /var/tmp/to_scwrl_344569281.seq -o /var/tmp/from_scwrl_344569281.pdb > /var/tmp/scwrl_344569281.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_344569281.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 # Found a chain break before 179 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1058473216.pdb -s /var/tmp/to_scwrl_1058473216.seq -o /var/tmp/from_scwrl_1058473216.pdb > /var/tmp/scwrl_1058473216.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1058473216.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS5-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0299 can't currently be optimized by undertaker # naming current conformation keasar-server_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_47519265.pdb -s /var/tmp/to_scwrl_47519265.seq -o /var/tmp/from_scwrl_47519265.pdb > /var/tmp/scwrl_47519265.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_47519265.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 T0299 can't currently be optimized by undertaker # naming current conformation keasar-server_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_582435274.pdb -s /var/tmp/to_scwrl_582435274.seq -o /var/tmp/from_scwrl_582435274.pdb > /var/tmp/scwrl_582435274.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_582435274.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 T0299 can't currently be optimized by undertaker # naming current conformation keasar-server_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_784257760.pdb -s /var/tmp/to_scwrl_784257760.seq -o /var/tmp/from_scwrl_784257760.pdb > /var/tmp/scwrl_784257760.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_784257760.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 T0299 can't currently be optimized by undertaker # naming current conformation keasar-server_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_844983943.pdb -s /var/tmp/to_scwrl_844983943.seq -o /var/tmp/from_scwrl_844983943.pdb > /var/tmp/scwrl_844983943.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_844983943.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 T0299 can't currently be optimized by undertaker # naming current conformation keasar-server_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_2007196605.pdb -s /var/tmp/to_scwrl_2007196605.seq -o /var/tmp/from_scwrl_2007196605.pdb > /var/tmp/scwrl_2007196605.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2007196605.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 T0299 can't currently be optimized by undertaker # naming current conformation mGen-3D_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_817454145.pdb -s /var/tmp/to_scwrl_817454145.seq -o /var/tmp/from_scwrl_817454145.pdb > /var/tmp/scwrl_817454145.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_817454145.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 T0299 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation nFOLD_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_142572365.pdb -s /var/tmp/to_scwrl_142572365.seq -o /var/tmp/from_scwrl_142572365.pdb > /var/tmp/scwrl_142572365.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_142572365.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 T0299 can't currently be optimized by undertaker # naming current conformation nFOLD_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1039888133.pdb -s /var/tmp/to_scwrl_1039888133.seq -o /var/tmp/from_scwrl_1039888133.pdb > /var/tmp/scwrl_1039888133.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1039888133.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 T0299 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation nFOLD_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1881180085.pdb -s /var/tmp/to_scwrl_1881180085.seq -o /var/tmp/from_scwrl_1881180085.pdb > /var/tmp/scwrl_1881180085.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1881180085.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 T0299 can't currently be optimized by undertaker # naming current conformation nFOLD_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1980351323.pdb -s /var/tmp/to_scwrl_1980351323.seq -o /var/tmp/from_scwrl_1980351323.pdb > /var/tmp/scwrl_1980351323.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1980351323.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 T0299 can't currently be optimized by undertaker # naming current conformation nFOLD_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1722872376.pdb -s /var/tmp/to_scwrl_1722872376.seq -o /var/tmp/from_scwrl_1722872376.pdb > /var/tmp/scwrl_1722872376.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1722872376.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 T0299 can't currently be optimized by undertaker # naming current conformation panther2_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_2118754442.pdb -s /var/tmp/to_scwrl_2118754442.seq -o /var/tmp/from_scwrl_2118754442.pdb > /var/tmp/scwrl_2118754442.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2118754442.pdb # conformation set from SCWRL output # naming current conformation panther2_TS1-scwrl # ReadConformPDB reading from PDB file servers/shub_TS1.pdb.gz looking for model 1 # Found a chain break before 169 # copying to AlignedFragments data structure # naming current conformation shub_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_87071171.pdb -s /var/tmp/to_scwrl_87071171.seq -o /var/tmp/from_scwrl_87071171.pdb > /var/tmp/scwrl_87071171.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_87071171.pdb # conformation set from SCWRL output # naming current conformation shub_TS1-scwrl # command:CPU_time= 36.8324 sec, elapsed time= 414.223 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 = 288.296 shub_TS1 costs 0 real_cost = 295.212 panther2_TS1-scwrl costs 0 real_cost = 495.204 panther2_TS1 costs 0 real_cost = 506.094 nFOLD_TS5-scwrl costs 0 real_cost = 301.974 nFOLD_TS5 costs 0 real_cost = 386.149 nFOLD_TS4-scwrl costs 0 real_cost = 277.428 nFOLD_TS4 costs 0 real_cost = 385.322 nFOLD_TS3-scwrl costs 0 real_cost = 401.856 nFOLD_TS3 costs 0 real_cost = 401.859 nFOLD_TS2-scwrl costs 0 real_cost = 297.439 nFOLD_TS2 costs 0 real_cost = 398.895 nFOLD_TS1-scwrl costs 0 real_cost = 380.931 nFOLD_TS1 costs 0 real_cost = 380.936 mGen-3D_TS1-scwrl costs 0 real_cost = 317.462 mGen-3D_TS1 costs 0 real_cost = 418.809 keasar-server_TS5-scwrl costs 0 real_cost = 432.003 keasar-server_TS5 costs 0 real_cost = 438.139 keasar-server_TS4-scwrl costs 0 real_cost = 404.261 keasar-server_TS4 costs 0 real_cost = 396.253 keasar-server_TS3-scwrl costs 0 real_cost = 394.076 keasar-server_TS3 costs 0 real_cost = 398.164 keasar-server_TS2-scwrl costs 0 real_cost = 331.371 keasar-server_TS2 costs 0 real_cost = 332.44 keasar-server_TS1-scwrl costs 0 real_cost = 348.1 keasar-server_TS1 costs 0 real_cost = 352.499 karypis.srv.4_TS5-scwrl costs 0 real_cost = 296.483 karypis.srv.4_TS5 costs 0 real_cost = 297.896 karypis.srv.4_TS4-scwrl costs 0 real_cost = 268.745 karypis.srv.4_TS4 costs 0 real_cost = 268.751 karypis.srv.4_TS3-scwrl costs 0 real_cost = 280.489 karypis.srv.4_TS3 costs 0 real_cost = 281.659 karypis.srv.4_TS2-scwrl costs 0 real_cost = 327.471 karypis.srv.4_TS2 costs 0 real_cost = 327.471 karypis.srv.4_TS1-scwrl costs 0 real_cost = 322.133 karypis.srv.4_TS1 costs 0 real_cost = 322.546 karypis.srv.2_TS5-scwrl costs 0 real_cost = 254.7 karypis.srv.2_TS5 costs 0 real_cost = 254.7 karypis.srv.2_TS4-scwrl costs 0 real_cost = 257.881 karypis.srv.2_TS4 costs 0 real_cost = 257.881 karypis.srv.2_TS3-scwrl costs 0 real_cost = 279.631 karypis.srv.2_TS3 costs 0 real_cost = 279.637 karypis.srv.2_TS2-scwrl costs 0 real_cost = 248.379 karypis.srv.2_TS2 costs 0 real_cost = 248.378 karypis.srv.2_TS1-scwrl costs 0 real_cost = 257.185 karypis.srv.2_TS1 costs 0 real_cost = 257.185 forecast-s_AL5-scwrl costs 0 real_cost = 403.172 forecast-s_AL5 costs 0 real_cost = 488.849 forecast-s_AL4-scwrl costs 0 real_cost = 315.499 forecast-s_AL4 costs 0 real_cost = 422.105 forecast-s_AL3-scwrl costs 0 real_cost = 453.184 forecast-s_AL3 costs 0 real_cost = 515.45 forecast-s_AL2-scwrl costs 0 real_cost = 337.545 forecast-s_AL2 costs 0 real_cost = 439.645 forecast-s_AL1-scwrl costs 0 real_cost = 409.425 forecast-s_AL1 costs 0 real_cost = 513.307 beautshotbase_TS1-scwrl costs 0 real_cost = 271.773 beautshotbase_TS1 costs 0 real_cost = 271.96 beautshot_TS1-scwrl costs 0 real_cost = 301.451 beautshot_TS1 costs 0 real_cost = 303.566 Zhang-Server_TS5-scwrl costs 0 real_cost = 258.774 Zhang-Server_TS5 costs 0 real_cost = 261.039 Zhang-Server_TS4-scwrl costs 0 real_cost = 217.361 Zhang-Server_TS4 costs 0 real_cost = 241.607 Zhang-Server_TS3-scwrl costs 0 real_cost = 262.048 Zhang-Server_TS3 costs 0 real_cost = 264.728 Zhang-Server_TS2-scwrl costs 0 real_cost = 224.902 Zhang-Server_TS2 costs 0 real_cost = 229.971 Zhang-Server_TS1-scwrl costs 0 real_cost = 233.744 Zhang-Server_TS1 costs 0 real_cost = 235.46 UNI-EID_sfst_AL5-scwrl costs 0 real_cost = 384.789 UNI-EID_sfst_AL5 costs 0 real_cost = 422.529 UNI-EID_sfst_AL4-scwrl costs 0 real_cost = 395.044 UNI-EID_sfst_AL4 costs 0 real_cost = 431.012 UNI-EID_sfst_AL3-scwrl costs 0 real_cost = 425.983 UNI-EID_sfst_AL3 costs 0 real_cost = 449.283 UNI-EID_sfst_AL2-scwrl costs 0 real_cost = 488.438 UNI-EID_sfst_AL2 costs 0 real_cost = 528.316 UNI-EID_sfst_AL1-scwrl costs 0 real_cost = 416.885 UNI-EID_sfst_AL1 costs 0 real_cost = 486.223 UNI-EID_expm_TS1-scwrl costs 0 real_cost = 376.166 UNI-EID_expm_TS1 costs 0 real_cost = 444.209 UNI-EID_bnmx_TS5-scwrl costs 0 real_cost = 371.14 UNI-EID_bnmx_TS5 costs 0 real_cost = 446.228 UNI-EID_bnmx_TS4-scwrl costs 0 real_cost = 381.148 UNI-EID_bnmx_TS4 costs 0 real_cost = 455.639 UNI-EID_bnmx_TS3-scwrl costs 0 real_cost = 390.962 UNI-EID_bnmx_TS3 costs 0 real_cost = 463.114 UNI-EID_bnmx_TS2-scwrl costs 0 real_cost = 393.777 UNI-EID_bnmx_TS2 costs 0 real_cost = 491.482 UNI-EID_bnmx_TS1-scwrl costs 0 real_cost = 391.331 UNI-EID_bnmx_TS1 costs 0 real_cost = 477.505 SPARKS2_TS5-scwrl costs 0 real_cost = 289.198 SPARKS2_TS5 costs 0 real_cost = 291.26 SPARKS2_TS4-scwrl costs 0 real_cost = 250.92 SPARKS2_TS4 costs 0 real_cost = 254.409 SPARKS2_TS3-scwrl costs 0 real_cost = 239.806 SPARKS2_TS3 costs 0 real_cost = 248.928 SPARKS2_TS2-scwrl costs 0 real_cost = 272.259 SPARKS2_TS2 costs 0 real_cost = 273.715 SPARKS2_TS1-scwrl costs 0 real_cost = 286.352 SPARKS2_TS1 costs 0 real_cost = 291.589 SP4_TS5-scwrl costs 0 real_cost = 276.5 SP4_TS5 costs 0 real_cost = 277.562 SP4_TS4-scwrl costs 0 real_cost = 251.272 SP4_TS4 costs 0 real_cost = 252.814 SP4_TS3-scwrl costs 0 real_cost = 258.852 SP4_TS3 costs 0 real_cost = 267.44 SP4_TS2-scwrl costs 0 real_cost = 236.192 SP4_TS2 costs 0 real_cost = 240.144 SP4_TS1-scwrl costs 0 real_cost = 267.918 SP4_TS1 costs 0 real_cost = 273.14 SP3_TS5-scwrl costs 0 real_cost = 262.457 SP3_TS5 costs 0 real_cost = 266.712 SP3_TS4-scwrl costs 0 real_cost = 268.985 SP3_TS4 costs 0 real_cost = 272.007 SP3_TS3-scwrl costs 0 real_cost = 292.062 SP3_TS3 costs 0 real_cost = 291.401 SP3_TS2-scwrl costs 0 real_cost = 280.497 SP3_TS2 costs 0 real_cost = 286.153 SP3_TS1-scwrl costs 0 real_cost = 250.706 SP3_TS1 costs 0 real_cost = 257.594 SAM_T06_server_TS5-scwrl costs 0 real_cost = 469.504 SAM_T06_server_TS5 costs 0 real_cost = 432.117 SAM_T06_server_TS4-scwrl costs 0 real_cost = 449.047 SAM_T06_server_TS4 costs 0 real_cost = 424.166 SAM_T06_server_TS3-scwrl costs 0 real_cost = 410.635 SAM_T06_server_TS3 costs 0 real_cost = 387.768 SAM_T06_server_TS2-scwrl costs 0 real_cost = 345.782 SAM_T06_server_TS2 costs 0 real_cost = 300.046 SAM_T06_server_TS1-scwrl costs 0 real_cost = 291.951 SAM_T06_server_TS1 costs 0 real_cost = 291.763 SAM-T02_AL5-scwrl costs 0 real_cost = 468.149 SAM-T02_AL5 costs 0 real_cost = 501.041 SAM-T02_AL4-scwrl costs 0 real_cost = 472.99 SAM-T02_AL4 costs 0 real_cost = 506.06 SAM-T02_AL3-scwrl costs 0 real_cost = 428.404 SAM-T02_AL3 costs 0 real_cost = 512.434 SAM-T02_AL2-scwrl costs 0 real_cost = 346.983 SAM-T02_AL2 costs 0 real_cost = 466.887 SAM-T02_AL1-scwrl costs 0 real_cost = 405.232 SAM-T02_AL1 costs 0 real_cost = 464.235 ROKKY_TS5-scwrl costs 0 real_cost = 218.914 ROKKY_TS5 costs 0 real_cost = 337.248 ROKKY_TS4-scwrl costs 0 real_cost = 239.65 ROKKY_TS4 costs 0 real_cost = 354.655 ROKKY_TS3-scwrl costs 0 real_cost = 234.336 ROKKY_TS3 costs 0 real_cost = 345.613 ROKKY_TS2-scwrl costs 0 real_cost = 233.674 ROKKY_TS2 costs 0 real_cost = 345.623 ROKKY_TS1-scwrl costs 0 real_cost = 207.284 ROKKY_TS1 costs 0 real_cost = 322.498 ROBETTA_TS5-scwrl costs 0 real_cost = 201.634 ROBETTA_TS5 costs 0 real_cost = 204.979 ROBETTA_TS4-scwrl costs 0 real_cost = 264.406 ROBETTA_TS4 costs 0 real_cost = 264.902 ROBETTA_TS3-scwrl costs 0 real_cost = 231.429 ROBETTA_TS3 costs 0 real_cost = 233.806 ROBETTA_TS2-scwrl costs 0 real_cost = 263.752 ROBETTA_TS2 costs 0 real_cost = 267.536 ROBETTA_TS1-scwrl costs 0 real_cost = 192.257 ROBETTA_TS1 costs 0 real_cost = 201.644 RAPTOR_TS5-scwrl costs 0 real_cost = 258.065 RAPTOR_TS5 costs 0 real_cost = 266.321 RAPTOR_TS4-scwrl costs 0 real_cost = 269.396 RAPTOR_TS4 costs 0 real_cost = 270.497 RAPTOR_TS3-scwrl costs 0 real_cost = 234.542 RAPTOR_TS3 costs 0 real_cost = 247.059 RAPTOR_TS2-scwrl costs 0 real_cost = 244.248 RAPTOR_TS2 costs 0 real_cost = 252.872 RAPTOR_TS1-scwrl costs 0 real_cost = 246.031 RAPTOR_TS1 costs 0 real_cost = 253.203 RAPTORESS_TS5-scwrl costs 0 real_cost = 268.778 RAPTORESS_TS5 costs 0 real_cost = 273.28 RAPTORESS_TS4-scwrl costs 0 real_cost = 276.765 RAPTORESS_TS4 costs 0 real_cost = 280.974 RAPTORESS_TS3-scwrl costs 0 real_cost = 281.608 RAPTORESS_TS3 costs 0 real_cost = 284.459 RAPTORESS_TS2-scwrl costs 0 real_cost = 259.577 RAPTORESS_TS2 costs 0 real_cost = 268.102 RAPTORESS_TS1-scwrl costs 0 real_cost = 286.556 RAPTORESS_TS1 costs 0 real_cost = 292.57 RAPTOR-ACE_TS5-scwrl costs 0 real_cost = 276.382 RAPTOR-ACE_TS5 costs 0 real_cost = 277.99 RAPTOR-ACE_TS4-scwrl costs 0 real_cost = 272.532 RAPTOR-ACE_TS4 costs 0 real_cost = 271.949 RAPTOR-ACE_TS3-scwrl costs 0 real_cost = 251.1 RAPTOR-ACE_TS3 costs 0 real_cost = 245.606 RAPTOR-ACE_TS2-scwrl costs 0 real_cost = 296.754 RAPTOR-ACE_TS2 costs 0 real_cost = 300.257 RAPTOR-ACE_TS1-scwrl costs 0 real_cost = 251.235 RAPTOR-ACE_TS1 costs 0 real_cost = 253.657 Pmodeller6_TS5-scwrl costs 0 real_cost = 248.409 Pmodeller6_TS5 costs 0 real_cost = 249.217 Pmodeller6_TS4-scwrl costs 0 real_cost = 257.666 Pmodeller6_TS4 costs 0 real_cost = 256.442 Pmodeller6_TS3-scwrl costs 0 real_cost = 248.252 Pmodeller6_TS3 costs 0 real_cost = 253.132 Pmodeller6_TS2-scwrl costs 0 real_cost = 233.968 Pmodeller6_TS2 costs 0 real_cost = 237.488 Pmodeller6_TS1-scwrl costs 0 real_cost = 192.257 Pmodeller6_TS1 costs 0 real_cost = 201.644 Phyre-2_TS5-scwrl costs 0 real_cost = 273.865 Phyre-2_TS5 costs 0 real_cost = 270.863 Phyre-2_TS4-scwrl costs 0 real_cost = 264.796 Phyre-2_TS4 costs 0 real_cost = 262.428 Phyre-2_TS3-scwrl costs 0 real_cost = 263.804 Phyre-2_TS3 costs 0 real_cost = 263.212 Phyre-2_TS2-scwrl costs 0 real_cost = 275.107 Phyre-2_TS2 costs 0 real_cost = 274.288 Phyre-2_TS1-scwrl costs 0 real_cost = 270.654 Phyre-2_TS1 costs 0 real_cost = 268.599 Phyre-1_TS1-scwrl costs 0 real_cost = 370.743 Phyre-1_TS1 costs 0 real_cost = 368.342 Pcons6_TS5-scwrl costs 0 real_cost = 264.406 Pcons6_TS5 costs 0 real_cost = 264.902 Pcons6_TS4-scwrl costs 0 real_cost = 233.968 Pcons6_TS4 costs 0 real_cost = 237.488 Pcons6_TS3-scwrl costs 0 real_cost = 257.666 Pcons6_TS3 costs 0 real_cost = 256.442 Pcons6_TS2-scwrl costs 0 real_cost = 248.252 Pcons6_TS2 costs 0 real_cost = 253.132 Pcons6_TS1-scwrl costs 0 real_cost = 339.921 Pcons6_TS1 costs 0 real_cost = 336.086 PROTINFO_TS5-scwrl costs 0 real_cost = 377.691 PROTINFO_TS5 costs 0 real_cost = 380.689 PROTINFO_TS4-scwrl costs 0 real_cost = 256.947 PROTINFO_TS4 costs 0 real_cost = 259.986 PROTINFO_TS3-scwrl costs 0 real_cost = 453.276 PROTINFO_TS3 costs 0 real_cost = 452.102 PROTINFO_TS2-scwrl costs 0 real_cost = 275.707 PROTINFO_TS2 costs 0 real_cost = 279.759 PROTINFO_TS1-scwrl costs 0 real_cost = 443.922 PROTINFO_TS1 costs 0 real_cost = 443.563 PROTINFO-AB_TS5-scwrl costs 0 real_cost = 263.352 PROTINFO-AB_TS5 costs 0 real_cost = 268.988 PROTINFO-AB_TS4-scwrl costs 0 real_cost = 256.947 PROTINFO-AB_TS4 costs 0 real_cost = 259.986 PROTINFO-AB_TS3-scwrl costs 0 real_cost = 274.357 PROTINFO-AB_TS3 costs 0 real_cost = 279.215 PROTINFO-AB_TS2-scwrl costs 0 real_cost = 275.707 PROTINFO-AB_TS2 costs 0 real_cost = 279.759 PROTINFO-AB_TS1-scwrl costs 0 real_cost = 271.76 PROTINFO-AB_TS1 costs 0 real_cost = 270.021 NN_PUT_lab_TS1-scwrl costs 0 real_cost = 253.693 NN_PUT_lab_TS1 costs 0 real_cost = 259.716 MetaTasser_TS5-scwrl costs 0 real_cost = 219.406 MetaTasser_TS5 costs 0 real_cost = 218.909 MetaTasser_TS4-scwrl costs 0 real_cost = 189.012 MetaTasser_TS4 costs 0 real_cost = 198.691 MetaTasser_TS3-scwrl costs 0 real_cost = 255.857 MetaTasser_TS3 costs 0 real_cost = 253.194 MetaTasser_TS2-scwrl costs 0 real_cost = 210.008 MetaTasser_TS2 costs 0 real_cost = 212.167 MetaTasser_TS1-scwrl costs 0 real_cost = 225.091 MetaTasser_TS1 costs 0 real_cost = 232.272 Ma-OPUS-server_TS5-scwrl costs 0 real_cost = 246.046 Ma-OPUS-server_TS5 costs 0 real_cost = 255.189 Ma-OPUS-server_TS4-scwrl costs 0 real_cost = 265.301 Ma-OPUS-server_TS4 costs 0 real_cost = 264.035 Ma-OPUS-server_TS3-scwrl costs 0 real_cost = 264.454 Ma-OPUS-server_TS3 costs 0 real_cost = 267.524 Ma-OPUS-server_TS2-scwrl costs 0 real_cost = 267.575 Ma-OPUS-server_TS2 costs 0 real_cost = 272.55 Ma-OPUS-server_TS1-scwrl costs 0 real_cost = 238.632 Ma-OPUS-server_TS1 costs 0 real_cost = 247.514 MIG_FROST_AL1-scwrl costs 0 real_cost = 608.845 MIG_FROST_AL1 costs 0 real_cost = 584.675 LOOPP_TS5-scwrl costs 0 real_cost = 276.061 LOOPP_TS5 costs 0 real_cost = 274.054 LOOPP_TS4-scwrl costs 0 real_cost = 268.06 LOOPP_TS4 costs 0 real_cost = 274.961 LOOPP_TS3-scwrl costs 0 real_cost = 265.692 LOOPP_TS3 costs 0 real_cost = 275.394 LOOPP_TS2-scwrl costs 0 real_cost = 278.428 LOOPP_TS2 costs 0 real_cost = 283.106 LOOPP_TS1-scwrl costs 0 real_cost = 253.693 LOOPP_TS1 costs 0 real_cost = 259.716 Huber-Torda-Server_TS5-scwrl costs 0 real_cost = 441.734 Huber-Torda-Server_TS5 costs 0 real_cost = 469.854 Huber-Torda-Server_TS4-scwrl costs 0 real_cost = 359.907 Huber-Torda-Server_TS4 costs 0 real_cost = 433.925 Huber-Torda-Server_TS3-scwrl costs 0 real_cost = 397 Huber-Torda-Server_TS3 costs 0 real_cost = 454.034 Huber-Torda-Server_TS2-scwrl costs 0 real_cost = 328.225 Huber-Torda-Server_TS2 costs 0 real_cost = 406.817 Huber-Torda-Server_TS1-scwrl costs 0 real_cost = 328.317 Huber-Torda-Server_TS1 costs 0 real_cost = 404.656 HHpred3_TS1-scwrl costs 0 real_cost = 281.41 HHpred3_TS1 costs 0 real_cost = 286.35 HHpred2_TS1-scwrl costs 0 real_cost = 400.249 HHpred2_TS1 costs 0 real_cost = 412.659 HHpred1_TS1-scwrl costs 0 real_cost = 364.872 HHpred1_TS1 costs 0 real_cost = 372.005 GeneSilicoMetaServer_TS5-scwrl costs 0 real_cost = 283.937 GeneSilicoMetaServer_TS5 costs 0 real_cost = 286.836 GeneSilicoMetaServer_TS4-scwrl costs 0 real_cost = 291.211 GeneSilicoMetaServer_TS4 costs 0 real_cost = 295.473 GeneSilicoMetaServer_TS3-scwrl costs 0 real_cost = 290.139 GeneSilicoMetaServer_TS3 costs 0 real_cost = 291.385 GeneSilicoMetaServer_TS2-scwrl costs 0 real_cost = 289.443 GeneSilicoMetaServer_TS2 costs 0 real_cost = 296.866 GeneSilicoMetaServer_TS1-scwrl costs 0 real_cost = 270.204 GeneSilicoMetaServer_TS1 costs 0 real_cost = 268.757 Frankenstein_TS3-scwrl costs 0 real_cost = 357.019 Frankenstein_TS3 costs 0 real_cost = 357.331 FUNCTION_TS5-scwrl costs 0 real_cost = 349.479 FUNCTION_TS5 costs 0 real_cost = 349.324 FUNCTION_TS4-scwrl costs 0 real_cost = 349.566 FUNCTION_TS4 costs 0 real_cost = 349.365 FUNCTION_TS3-scwrl costs 0 real_cost = 334.093 FUNCTION_TS3 costs 0 real_cost = 336.683 FUNCTION_TS2-scwrl costs 0 real_cost = 357.003 FUNCTION_TS2 costs 0 real_cost = 355.815 FUNCTION_TS1-scwrl costs 0 real_cost = 349.445 FUNCTION_TS1 costs 0 real_cost = 352.543 FUGUE_AL5-scwrl costs 0 real_cost = 315.981 FUGUE_AL5 costs 0 real_cost = 457.238 FUGUE_AL4-scwrl costs 0 real_cost = 407.012 FUGUE_AL4 costs 0 real_cost = 454.063 FUGUE_AL3-scwrl costs 0 real_cost = 335.693 FUGUE_AL3 costs 0 real_cost = 470.301 FUGUE_AL2-scwrl costs 0 real_cost = 454.61 FUGUE_AL2 costs 0 real_cost = 454.61 FUGUE_AL1-scwrl costs 0 real_cost = 319.712 FUGUE_AL1 costs 0 real_cost = 462.713 FUGMOD_TS5-scwrl costs 0 real_cost = 293.245 FUGMOD_TS5 costs 0 real_cost = 294.431 FUGMOD_TS4-scwrl costs 0 real_cost = 417.667 FUGMOD_TS4 costs 0 real_cost = 420.724 FUGMOD_TS3-scwrl costs 0 real_cost = 305.071 FUGMOD_TS3 costs 0 real_cost = 309.496 FUGMOD_TS2-scwrl costs 0 real_cost = 304.052 FUGMOD_TS2 costs 0 real_cost = 304.564 FUGMOD_TS1-scwrl costs 0 real_cost = 306.295 FUGMOD_TS1 costs 0 real_cost = 308.634 FPSOLVER-SERVER_TS5-scwrl costs 0 real_cost = 333.121 FPSOLVER-SERVER_TS5 costs 0 real_cost = 333.729 FPSOLVER-SERVER_TS4-scwrl costs 0 real_cost = 302.25 FPSOLVER-SERVER_TS4 costs 0 real_cost = 302.505 FPSOLVER-SERVER_TS3-scwrl costs 0 real_cost = 289.359 FPSOLVER-SERVER_TS3 costs 0 real_cost = 290.079 FPSOLVER-SERVER_TS2-scwrl costs 0 real_cost = 277.125 FPSOLVER-SERVER_TS2 costs 0 real_cost = 278.757 FPSOLVER-SERVER_TS1-scwrl costs 0 real_cost = 295.247 FPSOLVER-SERVER_TS1 costs 0 real_cost = 295.7 FORTE2_AL5-scwrl costs 0 real_cost = 300.91 FORTE2_AL5 costs 0 real_cost = 440.297 FORTE2_AL4-scwrl costs 0 real_cost = 340.2 FORTE2_AL4 costs 0 real_cost = 445.005 FORTE2_AL3-scwrl costs 0 real_cost = 410.541 FORTE2_AL3 costs 0 real_cost = 504.779 FORTE2_AL2-scwrl costs 0 real_cost = 354.843 FORTE2_AL2 costs 0 real_cost = 460.435 FORTE2_AL1-scwrl costs 0 real_cost = 404.887 FORTE2_AL1 costs 0 real_cost = 497.203 FORTE1_AL5-scwrl costs 0 real_cost = 410.541 FORTE1_AL5 costs 0 real_cost = 504.779 FORTE1_AL4-scwrl costs 0 real_cost = 279.265 FORTE1_AL4 costs 0 real_cost = 404.987 FORTE1_AL3-scwrl costs 0 real_cost = 354.843 FORTE1_AL3 costs 0 real_cost = 460.435 FORTE1_AL2-scwrl costs 0 real_cost = 404.887 FORTE1_AL2 costs 0 real_cost = 497.203 FORTE1_AL1-scwrl costs 0 real_cost = 339.263 FORTE1_AL1 costs 0 real_cost = 487.574 FOLDpro_TS5-scwrl costs 0 real_cost = 333.229 FOLDpro_TS5 costs 0 real_cost = 338.22 FOLDpro_TS4-scwrl costs 0 real_cost = 315.002 FOLDpro_TS4 costs 0 real_cost = 314.409 FOLDpro_TS3-scwrl costs 0 real_cost = 289.735 FOLDpro_TS3 costs 0 real_cost = 299.155 FOLDpro_TS2-scwrl costs 0 real_cost = 297.022 FOLDpro_TS2 costs 0 real_cost = 301.756 FOLDpro_TS1-scwrl costs 0 real_cost = 300.647 FOLDpro_TS1 costs 0 real_cost = 299.677 FAMS_TS5-scwrl costs 0 real_cost = 252.277 FAMS_TS5 costs 0 real_cost = 258.645 FAMS_TS4-scwrl costs 0 real_cost = 247.303 FAMS_TS4 costs 0 real_cost = 257.298 FAMS_TS3-scwrl costs 0 real_cost = 444.835 FAMS_TS3 costs 0 real_cost = 446.122 FAMS_TS2-scwrl costs 0 real_cost = 257.612 FAMS_TS2 costs 0 real_cost = 260.941 FAMS_TS1-scwrl costs 0 real_cost = 249.606 FAMS_TS1 costs 0 real_cost = 251.312 FAMSD_TS5-scwrl costs 0 real_cost = 313.718 FAMSD_TS5 costs 0 real_cost = 309.07 FAMSD_TS4-scwrl costs 0 real_cost = 263.194 FAMSD_TS4 costs 0 real_cost = 265.041 FAMSD_TS3-scwrl costs 0 real_cost = 257.612 FAMSD_TS3 costs 0 real_cost = 260.941 FAMSD_TS2-scwrl costs 0 real_cost = 264.931 FAMSD_TS2 costs 0 real_cost = 262.711 FAMSD_TS1-scwrl costs 0 real_cost = 269.055 FAMSD_TS1 costs 0 real_cost = 268.201 Distill_TS5-scwrl costs 0 real_cost = 493.782 Distill_TS4-scwrl costs 0 real_cost = 483.672 Distill_TS3-scwrl costs 0 real_cost = 491.302 Distill_TS2-scwrl costs 0 real_cost = 488.615 Distill_TS1-scwrl costs 0 real_cost = 487.873 CaspIta-FOX_TS5-scwrl costs 0 real_cost = 283.163 CaspIta-FOX_TS5 costs 0 real_cost = 280.747 CaspIta-FOX_TS4-scwrl costs 0 real_cost = 292.838 CaspIta-FOX_TS4 costs 0 real_cost = 290.664 CaspIta-FOX_TS3-scwrl costs 0 real_cost = 305.885 CaspIta-FOX_TS3 costs 0 real_cost = 303.253 CaspIta-FOX_TS2-scwrl costs 0 real_cost = 308.676 CaspIta-FOX_TS2 costs 0 real_cost = 311.828 CaspIta-FOX_TS1-scwrl costs 0 real_cost = 280.546 CaspIta-FOX_TS1 costs 0 real_cost = 279.266 CIRCLE_TS5-scwrl costs 0 real_cost = 250.289 CIRCLE_TS5 costs 0 real_cost = 255.089 CIRCLE_TS4-scwrl costs 0 real_cost = 249.606 CIRCLE_TS4 costs 0 real_cost = 251.312 CIRCLE_TS3-scwrl costs 0 real_cost = 252.277 CIRCLE_TS3 costs 0 real_cost = 258.645 CIRCLE_TS2-scwrl costs 0 real_cost = 242.984 CIRCLE_TS2 costs 0 real_cost = 231.759 CIRCLE_TS1-scwrl costs 0 real_cost = 247.303 CIRCLE_TS1 costs 0 real_cost = 257.298 Bilab-ENABLE_TS5-scwrl costs 0 real_cost = 281.228 Bilab-ENABLE_TS5 costs 0 real_cost = 281.388 Bilab-ENABLE_TS4-scwrl costs 0 real_cost = 285.212 Bilab-ENABLE_TS4 costs 0 real_cost = 285.363 Bilab-ENABLE_TS3-scwrl costs 0 real_cost = 281.178 Bilab-ENABLE_TS3 costs 0 real_cost = 281.343 Bilab-ENABLE_TS2-scwrl costs 0 real_cost = 283.857 Bilab-ENABLE_TS2 costs 0 real_cost = 284.021 Bilab-ENABLE_TS1-scwrl costs 0 real_cost = 278.244 Bilab-ENABLE_TS1 costs 0 real_cost = 278.4 BayesHH_TS1-scwrl costs 0 real_cost = 292.557 BayesHH_TS1 costs 0 real_cost = 293.123 ABIpro_TS5-scwrl costs 0 real_cost = 212.645 ABIpro_TS5 costs 0 real_cost = 213.437 ABIpro_TS4-scwrl costs 0 real_cost = 252.694 ABIpro_TS4 costs 0 real_cost = 252.694 ABIpro_TS3-scwrl costs 0 real_cost = 238.571 ABIpro_TS3 costs 0 real_cost = 239.366 ABIpro_TS2-scwrl costs 0 real_cost = 253.68 ABIpro_TS2 costs 0 real_cost = 253.689 ABIpro_TS1-scwrl costs 0 real_cost = 212.712 ABIpro_TS1 costs 0 real_cost = 212.709 3Dpro_TS5-scwrl costs 0 real_cost = 212.712 3Dpro_TS5 costs 0 real_cost = 212.709 3Dpro_TS4-scwrl costs 0 real_cost = 341.74 3Dpro_TS4 costs 0 real_cost = 342.571 3Dpro_TS3-scwrl costs 0 real_cost = 295.979 3Dpro_TS3 costs 0 real_cost = 303.139 3Dpro_TS2-scwrl costs 0 real_cost = 273.573 3Dpro_TS2 costs 0 real_cost = 277.642 3Dpro_TS1-scwrl costs 0 real_cost = 288.673 3Dpro_TS1 costs 0 real_cost = 288.996 3D-JIGSAW_TS5-scwrl costs 0 real_cost = 324.314 3D-JIGSAW_TS5 costs 0 real_cost = 323.428 3D-JIGSAW_TS4-scwrl costs 0 real_cost = 279.379 3D-JIGSAW_TS4 costs 0 real_cost = 290.122 3D-JIGSAW_TS3-scwrl costs 0 real_cost = 305.521 3D-JIGSAW_TS3 costs 0 real_cost = 307.957 3D-JIGSAW_TS2-scwrl costs 0 real_cost = 307.289 3D-JIGSAW_TS2 costs 0 real_cost = 294.675 3D-JIGSAW_TS1-scwrl costs 0 real_cost = 278.728 3D-JIGSAW_TS1 costs 0 real_cost = 281.677 3D-JIGSAW_RECOM_TS5-scwrl costs 0 real_cost = 324.33 3D-JIGSAW_RECOM_TS5 costs 0 real_cost = 323.45 3D-JIGSAW_RECOM_TS4-scwrl costs 0 real_cost = 324.181 3D-JIGSAW_RECOM_TS4 costs 0 real_cost = 323.288 3D-JIGSAW_RECOM_TS3-scwrl costs 0 real_cost = 279.459 3D-JIGSAW_RECOM_TS3 costs 0 real_cost = 280.651 3D-JIGSAW_RECOM_TS2-scwrl costs 0 real_cost = 323.878 3D-JIGSAW_RECOM_TS2 costs 0 real_cost = 322.39 3D-JIGSAW_RECOM_TS1-scwrl costs 0 real_cost = 277.504 3D-JIGSAW_RECOM_TS1 costs 0 real_cost = 286.205 3D-JIGSAW_POPULUS_TS5-scwrl costs 0 real_cost = 287.052 3D-JIGSAW_POPULUS_TS5 costs 0 real_cost = 419.464 3D-JIGSAW_POPULUS_TS4-scwrl costs 0 real_cost = 289.646 3D-JIGSAW_POPULUS_TS4 costs 0 real_cost = 287.846 3D-JIGSAW_POPULUS_TS3-scwrl costs 0 real_cost = 266.708 3D-JIGSAW_POPULUS_TS3 costs 0 real_cost = 266.708 3D-JIGSAW_POPULUS_TS2-scwrl costs 0 real_cost = 300.584 3D-JIGSAW_POPULUS_TS2 costs 0 real_cost = 298.784 3D-JIGSAW_POPULUS_TS1-scwrl costs 0 real_cost = 278.625 3D-JIGSAW_POPULUS_TS1 costs 0 real_cost = 276.825 T0299.try9-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 300.698 T0299.try9-opt2.pdb.gz costs 0 real_cost = 300.457 T0299.try9-opt2.gromacs0.pdb.gz costs 0 real_cost = 303.656 T0299.try9-opt1.pdb.gz costs 0 real_cost = 302.601 T0299.try9-opt1-scwrl.pdb.gz costs 0 real_cost = 303.242 T0299.try8-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 259.165 T0299.try8-opt2.pdb.gz costs 0 real_cost = 255.919 T0299.try8-opt2.gromacs0.pdb.gz costs 0 real_cost = 255.321 T0299.try8-opt1.pdb.gz costs 0 real_cost = 258.018 T0299.try8-opt1-scwrl.pdb.gz costs 0 real_cost = 256.39 T0299.try7-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 239.267 T0299.try7-opt2.pdb.gz costs 0 real_cost = 242.478 T0299.try7-opt2.gromacs0.pdb.gz costs 0 real_cost = 240.937 T0299.try7-opt1.pdb.gz costs 0 real_cost = 239.776 T0299.try7-opt1-scwrl.pdb.gz costs 0 real_cost = 237.239 T0299.try6-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 299.864 T0299.try6-opt2.pdb.gz costs 0 real_cost = 298.325 T0299.try6-opt2.gromacs0.pdb.gz costs 0 real_cost = 297.559 T0299.try6-opt1.pdb.gz costs 0 real_cost = 298.557 T0299.try6-opt1-scwrl.pdb.gz costs 0 real_cost = 299.228 T0299.try5-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 255.48 T0299.try5-opt2.pdb.gz costs 0 real_cost = 256.441 T0299.try5-opt2.gromacs0.pdb.gz costs 0 real_cost = 255.22 T0299.try5-opt1.pdb.gz costs 0 real_cost = 261.147 T0299.try5-opt1-scwrl.pdb.gz costs 0 real_cost = 259.993 T0299.try4-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 297.992 T0299.try4-opt2.pdb.gz costs 0 real_cost = 299.039 T0299.try4-opt2.gromacs0.pdb.gz costs 0 real_cost = 299.339 T0299.try4-opt1.pdb.gz costs 0 real_cost = 300.061 T0299.try4-opt1-scwrl.pdb.gz costs 0 real_cost = 301.418 T0299.try3-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 300.579 T0299.try3-opt2.pdb.gz costs 0 real_cost = 301.091 T0299.try3-opt2.gromacs0.pdb.gz costs 0 real_cost = 303.335 T0299.try3-opt1.pdb.gz costs 0 real_cost = 301.857 T0299.try3-opt1-scwrl.pdb.gz costs 0 real_cost = 301.633 T0299.try24-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 238.696 T0299.try24-opt2.pdb.gz costs 0 real_cost = 240.354 T0299.try24-opt2.gromacs0.pdb.gz costs 0 real_cost = 238.492 T0299.try24-opt1.pdb.gz costs 0 real_cost = 242.166 T0299.try24-opt1-scwrl.pdb.gz costs 0 real_cost = 238.235 T0299.try23-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 249.889 T0299.try23-opt2.pdb.gz costs 0 real_cost = 250.347 T0299.try23-opt2.gromacs0.pdb.gz costs 0 real_cost = 249.619 T0299.try23-opt1.pdb.gz costs 0 real_cost = 248.212 T0299.try23-opt1-scwrl.pdb.gz costs 0 real_cost = 249.927 T0299.try22-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 279.856 T0299.try22-opt2.pdb.gz costs 0 real_cost = 277.964 T0299.try22-opt2.gromacs0.pdb.gz costs 0 real_cost = 280.53 T0299.try22-opt1.pdb.gz costs 0 real_cost = 280.657 T0299.try22-opt1-scwrl.pdb.gz costs 0 real_cost = 280.018 T0299.try21-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 291.248 T0299.try21-opt2.pdb.gz costs 0 real_cost = 293.804 T0299.try21-opt2.gromacs0.pdb.gz costs 0 real_cost = 292.864 T0299.try21-opt1.pdb.gz costs 0 real_cost = 293.759 T0299.try21-opt1-scwrl.pdb.gz costs 0 real_cost = 292.667 T0299.try20-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 282.932 T0299.try20-opt2.pdb.gz costs 0 real_cost = 280.797 T0299.try20-opt2.gromacs0.pdb.gz costs 0 real_cost = 279.837 T0299.try20-opt1.pdb.gz costs 0 real_cost = 282.903 T0299.try20-opt1-scwrl.pdb.gz costs 0 real_cost = 282.817 T0299.try2-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 274.029 T0299.try2-opt2.pdb.gz costs 0 real_cost = 274.449 T0299.try2-opt2.gromacs0.pdb.gz costs 0 real_cost = 271.858 T0299.try2-opt1.pdb.gz costs 0 real_cost = 275.112 T0299.try2-opt1-scwrl.pdb.gz costs 0 real_cost = 273.847 T0299.try19-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 290.739 T0299.try19-opt2.pdb.gz costs 0 real_cost = 293.232 T0299.try19-opt2.gromacs0.pdb.gz costs 0 real_cost = 293.671 T0299.try19-opt1.pdb.gz costs 0 real_cost = 292.466 T0299.try19-opt1-scwrl.pdb.gz costs 0 real_cost = 291.391 T0299.try18-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 282.18 T0299.try18-opt2.pdb.gz costs 0 real_cost = 284.044 T0299.try18-opt2.gromacs0.pdb.gz costs 0 real_cost = 280.055 T0299.try18-opt1.pdb.gz costs 0 real_cost = 285.998 T0299.try18-opt1-scwrl.pdb.gz costs 0 real_cost = 284.748 T0299.try17-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 281.859 T0299.try17-opt2.pdb.gz costs 0 real_cost = 281.926 T0299.try17-opt2.gromacs0.pdb.gz costs 0 real_cost = 281.042 T0299.try17-opt1.pdb.gz costs 0 real_cost = 286.381 T0299.try17-opt1-scwrl.pdb.gz costs 0 real_cost = 286.603 T0299.try16-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 290.487 T0299.try16-opt2.pdb.gz costs 0 real_cost = 291.139 T0299.try16-opt2.gromacs0.pdb.gz costs 0 real_cost = 288.195 T0299.try16-opt1.pdb.gz costs 0 real_cost = 294.701 T0299.try16-opt1-scwrl.pdb.gz costs 0 real_cost = 291.831 T0299.try15-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 256.157 T0299.try15-opt2.pdb.gz costs 0 real_cost = 254.798 T0299.try15-opt2.gromacs0.pdb.gz costs 0 real_cost = 252.43 T0299.try15-opt1.pdb.gz costs 0 real_cost = 255.118 T0299.try15-opt1-scwrl.pdb.gz costs 0 real_cost = 256.75 T0299.try14-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 248.921 T0299.try14-opt2.pdb.gz costs 0 real_cost = 249.137 T0299.try14-opt2.gromacs0.pdb.gz costs 0 real_cost = 251.225 T0299.try14-opt1.pdb.gz costs 0 real_cost = 249.012 T0299.try14-opt1-scwrl.pdb.gz costs 0 real_cost = 249.403 T0299.try13-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 279.915 T0299.try13-opt2.pdb.gz costs 0 real_cost = 283.159 T0299.try13-opt2.gromacs0.pdb.gz costs 0 real_cost = 285.098 T0299.try13-opt1.pdb.gz costs 0 real_cost = 282.584 T0299.try13-opt1-scwrl.pdb.gz costs 0 real_cost = 281.089 T0299.try12-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 242.883 T0299.try12-opt2.pdb.gz costs 0 real_cost = 243.905 T0299.try12-opt2.gromacs0.pdb.gz costs 0 real_cost = 244.819 T0299.try12-opt1.pdb.gz costs 0 real_cost = 246.209 T0299.try12-opt1-scwrl.pdb.gz costs 0 real_cost = 244.662 T0299.try11-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 270.131 T0299.try11-opt2.pdb.gz costs 0 real_cost = 269.038 T0299.try11-opt2.gromacs0.pdb.gz costs 0 real_cost = 270.422 T0299.try11-opt1.pdb.gz costs 0 real_cost = 272.156 T0299.try11-opt1-scwrl.pdb.gz costs 0 real_cost = 272.419 T0299.try10-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 262.823 T0299.try10-opt2.pdb.gz costs 0 real_cost = 262.678 T0299.try10-opt2.gromacs0.pdb.gz costs 0 real_cost = 264.788 T0299.try10-opt1.pdb.gz costs 0 real_cost = 264.432 T0299.try10-opt1-scwrl.pdb.gz costs 0 real_cost = 267.222 T0299.try1-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 279.468 T0299.try1-opt2.pdb.gz costs 0 real_cost = 277.283 T0299.try1-opt2.gromacs0.pdb.gz costs 0 real_cost = 283.096 T0299.try1-opt1.pdb.gz costs 0 real_cost = 274.508 T0299.try1-opt1-scwrl.pdb.gz costs 0 real_cost = 275.315 ../model5.ts-submitted costs 0 real_cost = 298.342 ../model4.ts-submitted costs 0 real_cost = 293.736 ../model3.ts-submitted costs 0 real_cost = 250.017 ../model2.ts-submitted costs 0 real_cost = 277.931 ../model1.ts-submitted costs 0 real_cost = 240.354 align5 costs 0 real_cost = 424.008 align4 costs 0 real_cost = 424.276 align3 costs 0 real_cost = 330.599 align2 costs 0 real_cost = 377.4 align1 costs 0 real_cost = 353.359 T0299.try1-opt2.pdb costs 0 real_cost = 277.283 model5-scwrl costs 0 real_cost = 298.809 model5.ts-submitted costs 0 real_cost = 298.342 model4-scwrl costs 0 real_cost = 292.144 model4.ts-submitted costs 0 real_cost = 293.736 model3-scwrl costs 0 real_cost = 251.205 model3.ts-submitted costs 0 real_cost = 250.017 model2-scwrl costs 0 real_cost = 273.793 model2.ts-submitted costs 0 real_cost = 277.931 model1-scwrl costs 0 real_cost = 238.684 model1.ts-submitted costs 0 real_cost = 240.354 2hiyA costs 0 real_cost = -891.6 # command:CPU_time= 524.198 sec, elapsed time= 909.519 sec) # command:rm -f sort.tmp /projects/compbio/bin/sorttbl real_cost < decoys/evaluate.rdb > sort.tmp mv -f sort.tmp decoys/evaluate.rdb mv -f decoys/evaluate.pretty decoys/evaluate.pretty.old /projects/compbio/experiments/protein-predict/casp7/scripts/prettyscore -terse -targpfx -decpoint < decoys/evaluate.rdb > decoys/evaluate.pretty rm -f decoys/evaluate_1.rdb sed -e s/XXX0000/T0299/ -e s/START_COL/1/ \ -e s/REAL_PDB/2hiyA/ \ -e s/_domain/_1/ \ -e s/read-pdb/read-pdb+servers/ \ -e 's/ReadConformPDBids/# ReadConformPDBids/' \ -e 's/# ReadConformPDB /ReadConformPDB /' \ -e 's/include COSTFCN.costfcn//' \ -e s/.COSTFCN// \ < /projects/compbio/experiments/protein-predict/casp7/starter-directory/evaluate.under \ | nice -2 /projects/compbio/programs/undertaker/undertaker # command:# Seed set to 1175145711 # 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= 4.72628 sec, elapsed time= 4.77524 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= 4.78727 sec, elapsed time= 4.85284 sec) # command:# Prefix for input files set to # command:# Making conformation for sequence T0299 numbered 1 through 180 Created new target T0299 from T0299.a2m # command:# command:# No conformations to remove in PopConform # command:# cleared Id set # command:# command:# ReadConformPDB reading from PDB file T0299_1.real.pdb looking for model 1 Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M 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 422, because occupancy 5.0000000e-01 <= existing 0.500 in T0299_1.real.pdb Skipped atom 424, because occupancy 0.500 <= existing 0.500 in T0299_1.real.pdb Skipped atom 426, because occupancy 0.500 <= existing 0.500 in T0299_1.real.pdb Skipped atom 428, because occupancy 0.500 <= existing 0.500 in T0299_1.real.pdb Skipped atom 430, because occupancy 0.500 <= existing 0.500 in T0299_1.real.pdb Skipped atom 432, because occupancy 0.500 <= existing 0.500 in T0299_1.real.pdb Skipped atom 434, because occupancy 0.500 <= existing 0.500 in T0299_1.real.pdb Skipped atom 436, because occupancy 0.500 <= existing 0.500 in T0299_1.real.pdb Skipped atom 438, because occupancy 0.500 <= existing 0.500 in T0299_1.real.pdb Skipped atom 1429, because occupancy 0.500 <= existing 0.500 in T0299_1.real.pdb Skipped atom 1431, because occupancy 0.500 <= existing 0.500 in T0299_1.real.pdb Skipped atom 1433, because occupancy 0.500 <= existing 0.500 in T0299_1.real.pdb Skipped atom 1435, because occupancy 0.500 <= existing 0.500 in T0299_1.real.pdb Skipped atom 1437, because occupancy 0.500 <= existing 0.500 in T0299_1.real.pdb Skipped atom 1439, because occupancy 0.500 <= existing 0.500 in T0299_1.real.pdb Skipped atom 1441, because occupancy 0.500 <= existing 0.500 in T0299_1.real.pdb Skipped atom 1443, because occupancy 0.500 <= existing 0.500 in T0299_1.real.pdb Skipped atom 1445, because occupancy 0.500 <= existing 0.500 in T0299_1.real.pdb Skipped atom 1447, because occupancy 0.500 <= existing 0.500 in T0299_1.real.pdb Skipped atom 1449, because occupancy 0.500 <= existing 0.500 in T0299_1.real.pdb Skipped atom 1451, because occupancy 0.500 <= existing 0.500 in T0299_1.real.pdb Skipped atom 1453, because occupancy 0.500 <= existing 0.500 in T0299_1.real.pdb Skipped atom 1455, because occupancy 0.500 <= existing 0.500 in T0299_1.real.pdb Skipped atom 1457, because occupancy 0.500 <= existing 0.500 in T0299_1.real.pdb Skipped atom 1459, because occupancy 0.500 <= existing 0.500 in T0299_1.real.pdb Skipped atom 1461, because occupancy 0.500 <= existing 0.500 in T0299_1.real.pdb Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M # WARNING: incomplete conformation T0299 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= 6.66099 sec, elapsed time= 6.73586 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 171 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -26.3889 # GDT_score(maxd=8,maxw=2.9)= -24.2549 # GDT_score(maxd=8,maxw=3.2)= -23.5994 # GDT_score(maxd=8,maxw=3.5)= -23.0052 # GDT_score(maxd=10,maxw=3.8)= -24.8083 # GDT_score(maxd=10,maxw=4)= -24.3562 # GDT_score(maxd=10,maxw=4.2)= -23.8728 # GDT_score(maxd=12,maxw=4.3)= -25.9123 # GDT_score(maxd=12,maxw=4.5)= -25.38 # GDT_score(maxd=12,maxw=4.7)= -24.8201 # GDT_score(maxd=14,maxw=5.2)= -25.6382 # GDT_score(maxd=14,maxw=5.5)= -24.7852 # command:# Prefix for output files set to # command:superimposing iter= 0 total_weight= 1081.000 rmsd (weighted)= 14.794 (unweighted)= 46.963 superimposing iter= 1 total_weight= 2081.694 rmsd (weighted)= 8.249 (unweighted)= 49.483 superimposing iter= 2 total_weight= 1173.871 rmsd (weighted)= 6.353 (unweighted)= 50.276 superimposing iter= 3 total_weight= 842.934 rmsd (weighted)= 5.827 (unweighted)= 50.538 superimposing iter= 4 total_weight= 751.576 rmsd (weighted)= 5.672 (unweighted)= 50.655 superimposing iter= 5 total_weight= 725.025 rmsd (weighted)= 5.624 (unweighted)= 50.730 # command:# Prefix for output files set to decoys/ # command:# request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_2036408404.pdb -s /var/tmp/to_scwrl_2036408404.seq -o /var/tmp/from_scwrl_2036408404.pdb > /var/tmp/scwrl_2036408404.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2036408404.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 163 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -26.1111 # GDT_score(maxd=8,maxw=2.9)= -22.9977 # GDT_score(maxd=8,maxw=3.2)= -22.1959 # GDT_score(maxd=8,maxw=3.5)= -21.5314 # GDT_score(maxd=10,maxw=3.8)= -24.4991 # GDT_score(maxd=10,maxw=4)= -23.9785 # GDT_score(maxd=10,maxw=4.2)= -23.4716 # GDT_score(maxd=12,maxw=4.3)= -26.3694 # GDT_score(maxd=12,maxw=4.5)= -25.79 # GDT_score(maxd=12,maxw=4.7)= -25.2428 # GDT_score(maxd=14,maxw=5.2)= -26.4545 # GDT_score(maxd=14,maxw=5.5)= -25.557 # command:# request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_618248883.pdb -s /var/tmp/to_scwrl_618248883.seq -o /var/tmp/from_scwrl_618248883.pdb > /var/tmp/scwrl_618248883.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_618248883.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 163 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -29.7222 # GDT_score(maxd=8,maxw=2.9)= -28.6977 # GDT_score(maxd=8,maxw=3.2)= -27.6739 # GDT_score(maxd=8,maxw=3.5)= -26.8257 # GDT_score(maxd=10,maxw=3.8)= -28.9922 # GDT_score(maxd=10,maxw=4)= -28.4315 # GDT_score(maxd=10,maxw=4.2)= -27.8983 # GDT_score(maxd=12,maxw=4.3)= -30.1361 # GDT_score(maxd=12,maxw=4.5)= -29.5444 # GDT_score(maxd=12,maxw=4.7)= -28.9491 # GDT_score(maxd=14,maxw=5.2)= -29.7798 # GDT_score(maxd=14,maxw=5.5)= -28.9129 # command:# request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1456158457.pdb -s /var/tmp/to_scwrl_1456158457.seq -o /var/tmp/from_scwrl_1456158457.pdb > /var/tmp/scwrl_1456158457.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1456158457.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 162 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -23.6111 # GDT_score(maxd=8,maxw=2.9)= -21.1855 # GDT_score(maxd=8,maxw=3.2)= -20.5535 # GDT_score(maxd=8,maxw=3.5)= -20.0299 # GDT_score(maxd=10,maxw=3.8)= -22.5717 # GDT_score(maxd=10,maxw=4)= -22.1653 # GDT_score(maxd=10,maxw=4.2)= -21.7977 # GDT_score(maxd=12,maxw=4.3)= -24.328 # GDT_score(maxd=12,maxw=4.5)= -23.8887 # GDT_score(maxd=12,maxw=4.7)= -23.4868 # GDT_score(maxd=14,maxw=5.2)= -24.9749 # GDT_score(maxd=14,maxw=5.5)= -24.3271 # command:# request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1093107875.pdb -s /var/tmp/to_scwrl_1093107875.seq -o /var/tmp/from_scwrl_1093107875.pdb > /var/tmp/scwrl_1093107875.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1093107875.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 138 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -19.1667 # GDT_score(maxd=8,maxw=2.9)= -17.8503 # GDT_score(maxd=8,maxw=3.2)= -17.531 # GDT_score(maxd=8,maxw=3.5)= -17.2664 # GDT_score(maxd=10,maxw=3.8)= -18.7988 # GDT_score(maxd=10,maxw=4)= -18.5811 # GDT_score(maxd=10,maxw=4.2)= -18.368 # GDT_score(maxd=12,maxw=4.3)= -19.9882 # GDT_score(maxd=12,maxw=4.5)= -19.7177 # GDT_score(maxd=12,maxw=4.7)= -19.4053 # GDT_score(maxd=14,maxw=5.2)= -20.2942 # GDT_score(maxd=14,maxw=5.5)= -19.7327 # command:# request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_741532066.pdb -s /var/tmp/to_scwrl_741532066.seq -o /var/tmp/from_scwrl_741532066.pdb > /var/tmp/scwrl_741532066.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_741532066.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 T0299.try1-opt2.pdb looking for model 1 # Found a chain break before 166 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -31.6667 # GDT_score(maxd=8,maxw=2.9)= -29.0322 # GDT_score(maxd=8,maxw=3.2)= -27.9771 # GDT_score(maxd=8,maxw=3.5)= -27.0823 # GDT_score(maxd=10,maxw=3.8)= -30.1899 # GDT_score(maxd=10,maxw=4)= -29.5137 # GDT_score(maxd=10,maxw=4.2)= -28.902 # GDT_score(maxd=12,maxw=4.3)= -32.1771 # GDT_score(maxd=12,maxw=4.5)= -31.4877 # GDT_score(maxd=12,maxw=4.7)= -30.8184 # GDT_score(maxd=14,maxw=5.2)= -32.3293 # GDT_score(maxd=14,maxw=5.5)= -31.234 # command:# Prefix for output files set to # command:superimposing iter= 0 total_weight= 1081.000 rmsd (weighted)= 10.423 (unweighted)= 48.564 superimposing iter= 1 total_weight= 1749.489 rmsd (weighted)= 6.417 (unweighted)= 47.375 superimposing iter= 2 total_weight= 1079.934 rmsd (weighted)= 5.140 (unweighted)= 46.648 superimposing iter= 3 total_weight= 870.835 rmsd (weighted)= 4.615 (unweighted)= 46.051 superimposing iter= 4 total_weight= 801.404 rmsd (weighted)= 4.331 (unweighted)= 45.541 superimposing iter= 5 total_weight= 780.040 rmsd (weighted)= 4.127 (unweighted)= 45.116 # command:# Prefix for output files set to decoys/ # command:# Prefix for input files set to # command:# ReadConformPDB reading from PDB file T0299.undertaker-align.pdb looking for model 1 WARNING: atoms too close: (T0299)N88.C and (T0299)L97.C only 0.000 apart, marking (T0299)L97.C as missing WARNING: atoms too close: (T0299)L89.N and (T0299)A98.N only 0.000 apart, marking (T0299)L89.N as missing WARNING: atoms too close: (T0299)L89.CA and (T0299)A98.CA only 0.000 apart, marking (T0299)L89.CA as missing WARNING: atoms too close: (T0299)A149.C and (T0299)Y153.C only 0.000 apart, marking (T0299)Y153.C as missing WARNING: atoms too close: (T0299)Y150.N and (T0299)L154.N only 0.000 apart, marking (T0299)Y150.N as missing WARNING: atoms too close: (T0299)Y150.CA and (T0299)L154.CA only 0.000 apart, marking (T0299)Y150.CA as missing # WARNING: incomplete conformation T0299 can't currently be optimized by undertaker # command:# naming current conformation align1 # command:# fraction of real conformation used = 0.4 # GDT_score = -20.2778 # GDT_score(maxd=8,maxw=2.9)= -20.2765 # GDT_score(maxd=8,maxw=3.2)= -19.6256 # GDT_score(maxd=8,maxw=3.5)= -19.0862 # GDT_score(maxd=10,maxw=3.8)= -20.022 # GDT_score(maxd=10,maxw=4)= -19.6875 # GDT_score(maxd=10,maxw=4.2)= -19.3849 # GDT_score(maxd=12,maxw=4.3)= -20.5753 # GDT_score(maxd=12,maxw=4.5)= -20.2535 # GDT_score(maxd=12,maxw=4.7)= -19.959 # GDT_score(maxd=14,maxw=5.2)= -20.4013 # GDT_score(maxd=14,maxw=5.5)= -19.9135 # command:# ReadConformPDB reading from PDB file T0299.undertaker-align.pdb looking for model 2 WARNING: atoms too close: (T0299)E61.C and (T0299)T62.C only 0.000 apart, marking (T0299)T62.C as missing WARNING: atoms too close: (T0299)T62.N and (T0299)F63.N only 0.000 apart, marking (T0299)T62.N as missing WARNING: atoms too close: (T0299)T62.CA and (T0299)F63.CA only 0.000 apart, marking (T0299)T62.CA as missing WARNING: atoms too close: (T0299)E80.C and (T0299)A84.C only 0.000 apart, marking (T0299)A84.C as missing WARNING: atoms too close: (T0299)D81.N and (T0299)E85.N only 0.000 apart, marking (T0299)D81.N as missing WARNING: atoms too close: (T0299)D81.CA and (T0299)E85.CA only 0.000 apart, marking (T0299)D81.CA as missing WARNING: atoms too close: (T0299)F159.C and (T0299)H162.C only 0.000 apart, marking (T0299)H162.C as missing WARNING: atoms too close: (T0299)Y160.N and (T0299)I163.N only 0.000 apart, marking (T0299)Y160.N as missing WARNING: atoms too close: (T0299)Y160.CA and (T0299)I163.CA only 0.000 apart, marking (T0299)Y160.CA as missing # WARNING: incomplete conformation T0299 can't currently be optimized by undertaker # command:# naming current conformation align2 # command:# fraction of real conformation used = 0.577778 # GDT_score = -19.4444 # GDT_score(maxd=8,maxw=2.9)= -18.9531 # GDT_score(maxd=8,maxw=3.2)= -18.4262 # GDT_score(maxd=8,maxw=3.5)= -17.9897 # GDT_score(maxd=10,maxw=3.8)= -19.3539 # GDT_score(maxd=10,maxw=4)= -19.0529 # GDT_score(maxd=10,maxw=4.2)= -18.7805 # GDT_score(maxd=12,maxw=4.3)= -20.3851 # GDT_score(maxd=12,maxw=4.5)= -20.0717 # GDT_score(maxd=12,maxw=4.7)= -19.785 # GDT_score(maxd=14,maxw=5.2)= -20.6009 # GDT_score(maxd=14,maxw=5.5)= -20.0738 # command:# ReadConformPDB reading from PDB file T0299.undertaker-align.pdb looking for model 3 WARNING: atoms too close: (T0299)L33.C and (T0299)V36.C only 0.000 apart, marking (T0299)V36.C as missing WARNING: atoms too close: (T0299)E34.N and (T0299)E37.N only 0.000 apart, marking (T0299)E34.N as missing WARNING: atoms too close: (T0299)E34.CA and (T0299)E37.CA only 0.000 apart, marking (T0299)E34.CA as missing WARNING: atoms too close: (T0299)N44.C and (T0299)T48.C only 0.000 apart, marking (T0299)T48.C as missing WARNING: atoms too close: (T0299)I45.N and (T0299)S49.N only 0.000 apart, marking (T0299)I45.N as missing WARNING: atoms too close: (T0299)I45.CA and (T0299)S49.CA only 0.000 apart, marking (T0299)I45.CA as missing WARNING: atoms too close: (T0299)P69.C and (T0299)F70.C only 0.000 apart, marking (T0299)F70.C as missing WARNING: atoms too close: (T0299)F70.N and (T0299)I71.N only 0.000 apart, marking (T0299)F70.N as missing WARNING: atoms too close: (T0299)F70.CA and (T0299)I71.CA only 0.000 apart, marking (T0299)F70.CA as missing WARNING: atoms too close: (T0299)Q113.C and (T0299)V114.C only 0.000 apart, marking (T0299)V114.C as missing WARNING: atoms too close: (T0299)V114.N and (T0299)I115.N only 0.000 apart, marking (T0299)V114.N as missing WARNING: atoms too close: (T0299)V114.CA and (T0299)I115.CA only 0.000 apart, marking (T0299)V114.CA as missing # WARNING: incomplete conformation T0299 can't currently be optimized by undertaker # command:# naming current conformation align3 # command:# ReadConformPDB reading from PDB file T0299.undertaker-align.pdb looking for model 4 WARNING: atoms too close: (T0299)R95.C and (T0299)F102.C only 0.000 apart, marking (T0299)F102.C as missing WARNING: atoms too close: (T0299)D96.N and (T0299)L103.N only 0.000 apart, marking (T0299)D96.N as missing WARNING: atoms too close: (T0299)D96.CA and (T0299)L103.CA only 0.000 apart, marking (T0299)D96.CA as missing # WARNING: incomplete conformation T0299 can't currently be optimized by undertaker # command:# naming current conformation align4 # command:# ReadConformPDB reading from PDB file T0299.undertaker-align.pdb looking for model 5 WARNING: atoms too close: (T0299)N17.C and (T0299)I40.C only 0.000 apart, marking (T0299)I40.C as missing WARNING: atoms too close: (T0299)K18.N and (T0299)N41.N only 0.000 apart, marking (T0299)K18.N as missing WARNING: atoms too close: (T0299)K18.CA and (T0299)N41.CA only 0.000 apart, marking (T0299)K18.CA as missing WARNING: atoms too close: (T0299)Y68.C and (T0299)D81.C only 0.000 apart, marking (T0299)D81.C as missing WARNING: atoms too close: (T0299)P69.N and (T0299)F82.N only 0.000 apart, marking (T0299)P69.N as missing WARNING: atoms too close: (T0299)P69.CA and (T0299)F82.CA only 0.000 apart, marking (T0299)P69.CA as missing # WARNING: incomplete conformation T0299 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 171 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model2.ts-submitted looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model3.ts-submitted looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model4.ts-submitted looking for model 1 # Found a chain break before 162 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model5.ts-submitted looking for model 1 # Found a chain break before 138 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try1-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 162 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try1-opt1.pdb.gz looking for model 1 # Found a chain break before 162 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try1-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try1-opt2.pdb.gz looking for model 1 # Found a chain break before 166 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try1-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 166 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try10-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 162 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try10-opt1.pdb.gz looking for model 1 # Found a chain break before 162 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try10-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 160 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try10-opt2.pdb.gz looking for model 1 # Found a chain break before 156 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try10-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 156 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try11-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 174 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try11-opt1.pdb.gz looking for model 1 # Found a chain break before 174 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try11-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try11-opt2.pdb.gz looking for model 1 # Found a chain break before 174 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try11-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 174 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try12-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try12-opt1.pdb.gz looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try12-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try12-opt2.pdb.gz looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try12-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try13-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 174 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try13-opt1.pdb.gz looking for model 1 # Found a chain break before 174 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try13-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 155 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try13-opt2.pdb.gz looking for model 1 # Found a chain break before 174 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try13-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 174 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try14-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try14-opt1.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try14-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 164 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try14-opt2.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try14-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try15-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try15-opt1.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try15-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try15-opt2.pdb.gz looking for model 1 # Found a chain break before 161 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try15-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 161 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try16-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try16-opt1.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try16-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try16-opt2.pdb.gz looking for model 1 # Found a chain break before 178 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try16-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 178 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try17-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 167 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try17-opt1.pdb.gz looking for model 1 # Found a chain break before 167 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try17-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try17-opt2.pdb.gz looking for model 1 # Found a chain break before 167 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try17-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 167 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try18-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 159 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try18-opt1.pdb.gz looking for model 1 # Found a chain break before 159 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try18-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 167 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try18-opt2.pdb.gz looking for model 1 # Found a chain break before 169 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try18-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 169 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try19-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 162 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try19-opt1.pdb.gz looking for model 1 # Found a chain break before 162 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try19-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try19-opt2.pdb.gz looking for model 1 # Found a chain break before 162 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try19-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 162 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try2-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 170 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try2-opt1.pdb.gz looking for model 1 # Found a chain break before 170 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try2-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try2-opt2.pdb.gz looking for model 1 # Found a chain break before 170 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try2-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 170 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try20-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try20-opt1.pdb.gz looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try20-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 125 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try20-opt2.pdb.gz looking for model 1 # Found a chain break before 166 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try20-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 166 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try21-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 162 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try21-opt1.pdb.gz looking for model 1 # Found a chain break before 162 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try21-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try21-opt2.pdb.gz looking for model 1 # Found a chain break before 162 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try21-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 162 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try22-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try22-opt1.pdb.gz looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try22-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 125 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try22-opt2.pdb.gz looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try22-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try23-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try23-opt1.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try23-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 164 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try23-opt2.pdb.gz looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try23-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try24-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 171 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try24-opt1.pdb.gz looking for model 1 # Found a chain break before 171 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try24-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 171 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try24-opt2.pdb.gz looking for model 1 # Found a chain break before 171 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try24-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 171 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try3-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 152 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try3-opt1.pdb.gz looking for model 1 # Found a chain break before 152 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try3-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try3-opt2.pdb.gz looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try3-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try4-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 159 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try4-opt1.pdb.gz looking for model 1 # Found a chain break before 159 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try4-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 160 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try4-opt2.pdb.gz looking for model 1 # Found a chain break before 138 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try4-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 138 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try5-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 156 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try5-opt1.pdb.gz looking for model 1 # Found a chain break before 156 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try5-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 156 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try5-opt2.pdb.gz looking for model 1 # Found a chain break before 166 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try5-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 166 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try6-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 138 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try6-opt1.pdb.gz looking for model 1 # Found a chain break before 138 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try6-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 160 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try6-opt2.pdb.gz looking for model 1 # Found a chain break before 138 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try6-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 138 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try7-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 171 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try7-opt1.pdb.gz looking for model 1 # Found a chain break before 171 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try7-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try7-opt2.pdb.gz looking for model 1 # Found a chain break before 171 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try7-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 171 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try8-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 135 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try8-opt1.pdb.gz looking for model 1 # Found a chain break before 135 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try8-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 165 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try8-opt2.pdb.gz looking for model 1 # Found a chain break before 172 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try8-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 172 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try9-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 160 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try9-opt1.pdb.gz looking for model 1 # Found a chain break before 160 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try9-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try9-opt2.pdb.gz looking for model 1 # Found a chain break before 160 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try9-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 160 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0299 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1499068619.pdb -s /var/tmp/to_scwrl_1499068619.seq -o /var/tmp/from_scwrl_1499068619.pdb > /var/tmp/scwrl_1499068619.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1499068619.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 T0299 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_2018836894.pdb -s /var/tmp/to_scwrl_2018836894.seq -o /var/tmp/from_scwrl_2018836894.pdb > /var/tmp/scwrl_2018836894.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2018836894.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 # Found a chain break before 170 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1878063589.pdb -s /var/tmp/to_scwrl_1878063589.seq -o /var/tmp/from_scwrl_1878063589.pdb > /var/tmp/scwrl_1878063589.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1878063589.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 T0299 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_861535935.pdb -s /var/tmp/to_scwrl_861535935.seq -o /var/tmp/from_scwrl_861535935.pdb > /var/tmp/scwrl_861535935.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_861535935.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 T0299 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1722583432.pdb -s /var/tmp/to_scwrl_1722583432.seq -o /var/tmp/from_scwrl_1722583432.pdb > /var/tmp/scwrl_1722583432.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1722583432.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 # Found a chain break before 170 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_RECOM_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1581205042.pdb -s /var/tmp/to_scwrl_1581205042.seq -o /var/tmp/from_scwrl_1581205042.pdb > /var/tmp/scwrl_1581205042.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1581205042.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 T0299 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_550479394.pdb -s /var/tmp/to_scwrl_550479394.seq -o /var/tmp/from_scwrl_550479394.pdb > /var/tmp/scwrl_550479394.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_550479394.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 T0299 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_142997900.pdb -s /var/tmp/to_scwrl_142997900.seq -o /var/tmp/from_scwrl_142997900.pdb > /var/tmp/scwrl_142997900.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_142997900.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 T0299 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_373772315.pdb -s /var/tmp/to_scwrl_373772315.seq -o /var/tmp/from_scwrl_373772315.pdb > /var/tmp/scwrl_373772315.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_373772315.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 T0299 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_22705402.pdb -s /var/tmp/to_scwrl_22705402.seq -o /var/tmp/from_scwrl_22705402.pdb > /var/tmp/scwrl_22705402.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_22705402.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 T0299 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_535123945.pdb -s /var/tmp/to_scwrl_535123945.seq -o /var/tmp/from_scwrl_535123945.pdb > /var/tmp/scwrl_535123945.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_535123945.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 T0299 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_842725548.pdb -s /var/tmp/to_scwrl_842725548.seq -o /var/tmp/from_scwrl_842725548.pdb > /var/tmp/scwrl_842725548.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_842725548.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 T0299 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_595472083.pdb -s /var/tmp/to_scwrl_595472083.seq -o /var/tmp/from_scwrl_595472083.pdb > /var/tmp/scwrl_595472083.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_595472083.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 T0299 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_444123107.pdb -s /var/tmp/to_scwrl_444123107.seq -o /var/tmp/from_scwrl_444123107.pdb > /var/tmp/scwrl_444123107.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_444123107.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 T0299 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1117261570.pdb -s /var/tmp/to_scwrl_1117261570.seq -o /var/tmp/from_scwrl_1117261570.pdb > /var/tmp/scwrl_1117261570.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1117261570.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 172 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_874810502.pdb -s /var/tmp/to_scwrl_874810502.seq -o /var/tmp/from_scwrl_874810502.pdb > /var/tmp/scwrl_874810502.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_874810502.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 175 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_168080744.pdb -s /var/tmp/to_scwrl_168080744.seq -o /var/tmp/from_scwrl_168080744.pdb > /var/tmp/scwrl_168080744.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_168080744.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 165 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_2132726581.pdb -s /var/tmp/to_scwrl_2132726581.seq -o /var/tmp/from_scwrl_2132726581.pdb > /var/tmp/scwrl_2132726581.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2132726581.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 135 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1109963328.pdb -s /var/tmp/to_scwrl_1109963328.seq -o /var/tmp/from_scwrl_1109963328.pdb > /var/tmp/scwrl_1109963328.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1109963328.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 149 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1922822156.pdb -s /var/tmp/to_scwrl_1922822156.seq -o /var/tmp/from_scwrl_1922822156.pdb > /var/tmp/scwrl_1922822156.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1922822156.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 149 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_764576354.pdb -s /var/tmp/to_scwrl_764576354.seq -o /var/tmp/from_scwrl_764576354.pdb > /var/tmp/scwrl_764576354.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_764576354.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 141 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1945849566.pdb -s /var/tmp/to_scwrl_1945849566.seq -o /var/tmp/from_scwrl_1945849566.pdb > /var/tmp/scwrl_1945849566.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1945849566.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 166 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1282771175.pdb -s /var/tmp/to_scwrl_1282771175.seq -o /var/tmp/from_scwrl_1282771175.pdb > /var/tmp/scwrl_1282771175.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1282771175.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 145 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1003031229.pdb -s /var/tmp/to_scwrl_1003031229.seq -o /var/tmp/from_scwrl_1003031229.pdb > /var/tmp/scwrl_1003031229.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1003031229.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 165 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_645326476.pdb -s /var/tmp/to_scwrl_645326476.seq -o /var/tmp/from_scwrl_645326476.pdb > /var/tmp/scwrl_645326476.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_645326476.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 152 # copying to AlignedFragments data structure # naming current conformation BayesHH_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_710742536.pdb -s /var/tmp/to_scwrl_710742536.seq -o /var/tmp/from_scwrl_710742536.pdb > /var/tmp/scwrl_710742536.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_710742536.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 176 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_891955986.pdb -s /var/tmp/to_scwrl_891955986.seq -o /var/tmp/from_scwrl_891955986.pdb > /var/tmp/scwrl_891955986.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_891955986.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 176 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1263575358.pdb -s /var/tmp/to_scwrl_1263575358.seq -o /var/tmp/from_scwrl_1263575358.pdb > /var/tmp/scwrl_1263575358.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1263575358.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 176 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_19417346.pdb -s /var/tmp/to_scwrl_19417346.seq -o /var/tmp/from_scwrl_19417346.pdb > /var/tmp/scwrl_19417346.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_19417346.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 176 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1985063861.pdb -s /var/tmp/to_scwrl_1985063861.seq -o /var/tmp/from_scwrl_1985063861.pdb > /var/tmp/scwrl_1985063861.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1985063861.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS4-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS5.pdb.gz looking for model 1 # Found a chain break before 176 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_2005107425.pdb -s /var/tmp/to_scwrl_2005107425.seq -o /var/tmp/from_scwrl_2005107425.pdb > /var/tmp/scwrl_2005107425.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2005107425.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 176 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1518485966.pdb -s /var/tmp/to_scwrl_1518485966.seq -o /var/tmp/from_scwrl_1518485966.pdb > /var/tmp/scwrl_1518485966.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1518485966.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS1-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS2.pdb.gz looking for model 1 # Found a chain break before 173 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1856417109.pdb -s /var/tmp/to_scwrl_1856417109.seq -o /var/tmp/from_scwrl_1856417109.pdb > /var/tmp/scwrl_1856417109.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1856417109.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS2-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS3.pdb.gz looking for model 1 # Found a chain break before 179 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1735687367.pdb -s /var/tmp/to_scwrl_1735687367.seq -o /var/tmp/from_scwrl_1735687367.pdb > /var/tmp/scwrl_1735687367.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1735687367.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS3-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS4.pdb.gz looking for model 1 # Found a chain break before 175 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_232538254.pdb -s /var/tmp/to_scwrl_232538254.seq -o /var/tmp/from_scwrl_232538254.pdb > /var/tmp/scwrl_232538254.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_232538254.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS4-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS5.pdb.gz looking for model 1 # Found a chain break before 179 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1431516894.pdb -s /var/tmp/to_scwrl_1431516894.seq -o /var/tmp/from_scwrl_1431516894.pdb > /var/tmp/scwrl_1431516894.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1431516894.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS5-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS1.pdb.gz looking for model 1 # Found a chain break before 166 # copying to AlignedFragments data structure # naming current conformation CaspIta-FOX_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1169408762.pdb -s /var/tmp/to_scwrl_1169408762.seq -o /var/tmp/from_scwrl_1169408762.pdb > /var/tmp/scwrl_1169408762.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1169408762.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 T0299 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_783017648.pdb -s /var/tmp/to_scwrl_783017648.seq -o /var/tmp/from_scwrl_783017648.pdb > /var/tmp/scwrl_783017648.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_783017648.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 T0299 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1574514794.pdb -s /var/tmp/to_scwrl_1574514794.seq -o /var/tmp/from_scwrl_1574514794.pdb > /var/tmp/scwrl_1574514794.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1574514794.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 T0299 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1543181078.pdb -s /var/tmp/to_scwrl_1543181078.seq -o /var/tmp/from_scwrl_1543181078.pdb > /var/tmp/scwrl_1543181078.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1543181078.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 T0299 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_805723051.pdb -s /var/tmp/to_scwrl_805723051.seq -o /var/tmp/from_scwrl_805723051.pdb > /var/tmp/scwrl_805723051.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_805723051.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 T0299 can't currently be optimized by undertaker # naming current conformation Distill_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_2109638739.pdb -s /var/tmp/to_scwrl_2109638739.seq -o /var/tmp/from_scwrl_2109638739.pdb > /var/tmp/scwrl_2109638739.log Error: Couldn't open file /var/tmp/from_scwrl_2109638739.pdb or /var/tmp/from_scwrl_2109638739.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2109638739_b.pdb or decoys//var/tmp/from_scwrl_2109638739_b.pdb.gz for input Trying /var/tmp/from_scwrl_2109638739_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2109638739_b.pdb or /var/tmp/from_scwrl_2109638739_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2109638739_a.pdb or decoys//var/tmp/from_scwrl_2109638739_a.pdb.gz for input Trying /var/tmp/from_scwrl_2109638739_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2109638739_a.pdb or /var/tmp/from_scwrl_2109638739_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2109638739.pdb or /var/tmp/from_scwrl_2109638739_b.pdb or /var/tmp/from_scwrl_2109638739_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 T0299 can't currently be optimized by undertaker # naming current conformation Distill_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_238422979.pdb -s /var/tmp/to_scwrl_238422979.seq -o /var/tmp/from_scwrl_238422979.pdb > /var/tmp/scwrl_238422979.log Error: Couldn't open file /var/tmp/from_scwrl_238422979.pdb or /var/tmp/from_scwrl_238422979.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_238422979_b.pdb or decoys//var/tmp/from_scwrl_238422979_b.pdb.gz for input Trying /var/tmp/from_scwrl_238422979_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_238422979_b.pdb or /var/tmp/from_scwrl_238422979_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_238422979_a.pdb or decoys//var/tmp/from_scwrl_238422979_a.pdb.gz for input Trying /var/tmp/from_scwrl_238422979_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_238422979_a.pdb or /var/tmp/from_scwrl_238422979_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_238422979.pdb or /var/tmp/from_scwrl_238422979_b.pdb or /var/tmp/from_scwrl_238422979_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 T0299 can't currently be optimized by undertaker # naming current conformation Distill_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1401195133.pdb -s /var/tmp/to_scwrl_1401195133.seq -o /var/tmp/from_scwrl_1401195133.pdb > /var/tmp/scwrl_1401195133.log Error: Couldn't open file /var/tmp/from_scwrl_1401195133.pdb or /var/tmp/from_scwrl_1401195133.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1401195133_b.pdb or decoys//var/tmp/from_scwrl_1401195133_b.pdb.gz for input Trying /var/tmp/from_scwrl_1401195133_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1401195133_b.pdb or /var/tmp/from_scwrl_1401195133_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1401195133_a.pdb or decoys//var/tmp/from_scwrl_1401195133_a.pdb.gz for input Trying /var/tmp/from_scwrl_1401195133_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1401195133_a.pdb or /var/tmp/from_scwrl_1401195133_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1401195133.pdb or /var/tmp/from_scwrl_1401195133_b.pdb or /var/tmp/from_scwrl_1401195133_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 T0299 can't currently be optimized by undertaker # naming current conformation Distill_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_406278199.pdb -s /var/tmp/to_scwrl_406278199.seq -o /var/tmp/from_scwrl_406278199.pdb > /var/tmp/scwrl_406278199.log Error: Couldn't open file /var/tmp/from_scwrl_406278199.pdb or /var/tmp/from_scwrl_406278199.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_406278199_b.pdb or decoys//var/tmp/from_scwrl_406278199_b.pdb.gz for input Trying /var/tmp/from_scwrl_406278199_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_406278199_b.pdb or /var/tmp/from_scwrl_406278199_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_406278199_a.pdb or decoys//var/tmp/from_scwrl_406278199_a.pdb.gz for input Trying /var/tmp/from_scwrl_406278199_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_406278199_a.pdb or /var/tmp/from_scwrl_406278199_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_406278199.pdb or /var/tmp/from_scwrl_406278199_b.pdb or /var/tmp/from_scwrl_406278199_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 T0299 can't currently be optimized by undertaker # naming current conformation Distill_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1355684549.pdb -s /var/tmp/to_scwrl_1355684549.seq -o /var/tmp/from_scwrl_1355684549.pdb > /var/tmp/scwrl_1355684549.log Error: Couldn't open file /var/tmp/from_scwrl_1355684549.pdb or /var/tmp/from_scwrl_1355684549.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1355684549_b.pdb or decoys//var/tmp/from_scwrl_1355684549_b.pdb.gz for input Trying /var/tmp/from_scwrl_1355684549_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1355684549_b.pdb or /var/tmp/from_scwrl_1355684549_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1355684549_a.pdb or decoys//var/tmp/from_scwrl_1355684549_a.pdb.gz for input Trying /var/tmp/from_scwrl_1355684549_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1355684549_a.pdb or /var/tmp/from_scwrl_1355684549_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1355684549.pdb or /var/tmp/from_scwrl_1355684549_b.pdb or /var/tmp/from_scwrl_1355684549_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 T0299 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FAMSD_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_128521988.pdb -s /var/tmp/to_scwrl_128521988.seq -o /var/tmp/from_scwrl_128521988.pdb > /var/tmp/scwrl_128521988.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_128521988.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 T0299 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FAMSD_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_574358943.pdb -s /var/tmp/to_scwrl_574358943.seq -o /var/tmp/from_scwrl_574358943.pdb > /var/tmp/scwrl_574358943.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_574358943.pdb # conformation set from SCWRL output # naming current conformation FAMSD_TS2-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS3.pdb.gz looking for model 1 # Found a chain break before 176 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1340927483.pdb -s /var/tmp/to_scwrl_1340927483.seq -o /var/tmp/from_scwrl_1340927483.pdb > /var/tmp/scwrl_1340927483.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1340927483.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 T0299 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FAMSD_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1238485316.pdb -s /var/tmp/to_scwrl_1238485316.seq -o /var/tmp/from_scwrl_1238485316.pdb > /var/tmp/scwrl_1238485316.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1238485316.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 T0299 can't currently be optimized by undertaker # naming current conformation FAMSD_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_349697452.pdb -s /var/tmp/to_scwrl_349697452.seq -o /var/tmp/from_scwrl_349697452.pdb > /var/tmp/scwrl_349697452.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_349697452.pdb # conformation set from SCWRL output # naming current conformation FAMSD_TS5-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS1.pdb.gz looking for model 1 # Found a chain break before 175 # copying to AlignedFragments data structure # naming current conformation FAMS_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_2105503837.pdb -s /var/tmp/to_scwrl_2105503837.seq -o /var/tmp/from_scwrl_2105503837.pdb > /var/tmp/scwrl_2105503837.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2105503837.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS1-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS2.pdb.gz looking for model 1 # Found a chain break before 176 # copying to AlignedFragments data structure # naming current conformation FAMS_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1036851236.pdb -s /var/tmp/to_scwrl_1036851236.seq -o /var/tmp/from_scwrl_1036851236.pdb > /var/tmp/scwrl_1036851236.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1036851236.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 T0299 can't currently be optimized by undertaker # naming current conformation FAMS_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1632468627.pdb -s /var/tmp/to_scwrl_1632468627.seq -o /var/tmp/from_scwrl_1632468627.pdb > /var/tmp/scwrl_1632468627.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1632468627.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS3-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS4.pdb.gz looking for model 1 # Found a chain break before 176 # copying to AlignedFragments data structure # naming current conformation FAMS_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_961051420.pdb -s /var/tmp/to_scwrl_961051420.seq -o /var/tmp/from_scwrl_961051420.pdb > /var/tmp/scwrl_961051420.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_961051420.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS4-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS5.pdb.gz looking for model 1 # Found a chain break before 179 # copying to AlignedFragments data structure # naming current conformation FAMS_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1682177712.pdb -s /var/tmp/to_scwrl_1682177712.seq -o /var/tmp/from_scwrl_1682177712.pdb > /var/tmp/scwrl_1682177712.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1682177712.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 173 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_195727516.pdb -s /var/tmp/to_scwrl_195727516.seq -o /var/tmp/from_scwrl_195727516.pdb > /var/tmp/scwrl_195727516.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_195727516.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 173 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1853007405.pdb -s /var/tmp/to_scwrl_1853007405.seq -o /var/tmp/from_scwrl_1853007405.pdb > /var/tmp/scwrl_1853007405.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1853007405.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 176 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_798269424.pdb -s /var/tmp/to_scwrl_798269424.seq -o /var/tmp/from_scwrl_798269424.pdb > /var/tmp/scwrl_798269424.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_798269424.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 162 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_215144863.pdb -s /var/tmp/to_scwrl_215144863.seq -o /var/tmp/from_scwrl_215144863.pdb > /var/tmp/scwrl_215144863.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_215144863.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 168 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1690587620.pdb -s /var/tmp/to_scwrl_1690587620.seq -o /var/tmp/from_scwrl_1690587620.pdb > /var/tmp/scwrl_1690587620.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1690587620.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 T0299 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_655893202.pdb -s /var/tmp/to_scwrl_655893202.seq -o /var/tmp/from_scwrl_655893202.pdb > /var/tmp/scwrl_655893202.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_655893202.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 T0299 can't currently be optimized by undertaker # naming current conformation FORTE1_AL2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1733630829.pdb -s /var/tmp/to_scwrl_1733630829.seq -o /var/tmp/from_scwrl_1733630829.pdb > /var/tmp/scwrl_1733630829.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1733630829.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 T0299 can't currently be optimized by undertaker # naming current conformation FORTE1_AL3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1399521082.pdb -s /var/tmp/to_scwrl_1399521082.seq -o /var/tmp/from_scwrl_1399521082.pdb > /var/tmp/scwrl_1399521082.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1399521082.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 # WARNING: incomplete conformation T0299 can't currently be optimized by undertaker # naming current conformation FORTE1_AL4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_244096923.pdb -s /var/tmp/to_scwrl_244096923.seq -o /var/tmp/from_scwrl_244096923.pdb > /var/tmp/scwrl_244096923.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_244096923.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 Skipped atom 55, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 60, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz # WARNING: incomplete conformation T0299 can't currently be optimized by undertaker # naming current conformation FORTE1_AL5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1966169083.pdb -s /var/tmp/to_scwrl_1966169083.seq -o /var/tmp/from_scwrl_1966169083.pdb > /var/tmp/scwrl_1966169083.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1966169083.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 T0299 can't currently be optimized by undertaker # naming current conformation FORTE2_AL1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_683554330.pdb -s /var/tmp/to_scwrl_683554330.seq -o /var/tmp/from_scwrl_683554330.pdb > /var/tmp/scwrl_683554330.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_683554330.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 T0299 can't currently be optimized by undertaker # naming current conformation FORTE2_AL2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1413505685.pdb -s /var/tmp/to_scwrl_1413505685.seq -o /var/tmp/from_scwrl_1413505685.pdb > /var/tmp/scwrl_1413505685.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1413505685.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 Skipped atom 55, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL3.pdb.gz Skipped atom 60, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL3.pdb.gz # WARNING: incomplete conformation T0299 can't currently be optimized by undertaker # naming current conformation FORTE2_AL3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_601703085.pdb -s /var/tmp/to_scwrl_601703085.seq -o /var/tmp/from_scwrl_601703085.pdb > /var/tmp/scwrl_601703085.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_601703085.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 # WARNING: incomplete conformation T0299 can't currently be optimized by undertaker # naming current conformation FORTE2_AL4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_110585477.pdb -s /var/tmp/to_scwrl_110585477.seq -o /var/tmp/from_scwrl_110585477.pdb > /var/tmp/scwrl_110585477.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_110585477.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 T0299 can't currently be optimized by undertaker # naming current conformation FORTE2_AL5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_809203117.pdb -s /var/tmp/to_scwrl_809203117.seq -o /var/tmp/from_scwrl_809203117.pdb > /var/tmp/scwrl_809203117.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_809203117.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 174 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1407426135.pdb -s /var/tmp/to_scwrl_1407426135.seq -o /var/tmp/from_scwrl_1407426135.pdb > /var/tmp/scwrl_1407426135.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1407426135.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 166 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_72740569.pdb -s /var/tmp/to_scwrl_72740569.seq -o /var/tmp/from_scwrl_72740569.pdb > /var/tmp/scwrl_72740569.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_72740569.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 127 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1047626096.pdb -s /var/tmp/to_scwrl_1047626096.seq -o /var/tmp/from_scwrl_1047626096.pdb > /var/tmp/scwrl_1047626096.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1047626096.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 163 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_661137622.pdb -s /var/tmp/to_scwrl_661137622.seq -o /var/tmp/from_scwrl_661137622.pdb > /var/tmp/scwrl_661137622.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_661137622.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 167 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_479018768.pdb -s /var/tmp/to_scwrl_479018768.seq -o /var/tmp/from_scwrl_479018768.pdb > /var/tmp/scwrl_479018768.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_479018768.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 T0299 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_255826999.pdb -s /var/tmp/to_scwrl_255826999.seq -o /var/tmp/from_scwrl_255826999.pdb > /var/tmp/scwrl_255826999.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_255826999.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 176 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_789659610.pdb -s /var/tmp/to_scwrl_789659610.seq -o /var/tmp/from_scwrl_789659610.pdb > /var/tmp/scwrl_789659610.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_789659610.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 165 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1053377711.pdb -s /var/tmp/to_scwrl_1053377711.seq -o /var/tmp/from_scwrl_1053377711.pdb > /var/tmp/scwrl_1053377711.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1053377711.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 T0299 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1596754482.pdb -s /var/tmp/to_scwrl_1596754482.seq -o /var/tmp/from_scwrl_1596754482.pdb > /var/tmp/scwrl_1596754482.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1596754482.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 174 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_2028144926.pdb -s /var/tmp/to_scwrl_2028144926.seq -o /var/tmp/from_scwrl_2028144926.pdb > /var/tmp/scwrl_2028144926.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2028144926.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 T0299 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1403075163.pdb -s /var/tmp/to_scwrl_1403075163.seq -o /var/tmp/from_scwrl_1403075163.pdb > /var/tmp/scwrl_1403075163.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1403075163.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 T0299 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1554774673.pdb -s /var/tmp/to_scwrl_1554774673.seq -o /var/tmp/from_scwrl_1554774673.pdb > /var/tmp/scwrl_1554774673.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1554774673.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 T0299 can't currently be optimized by undertaker # naming current conformation FUGUE_AL3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_917512516.pdb -s /var/tmp/to_scwrl_917512516.seq -o /var/tmp/from_scwrl_917512516.pdb > /var/tmp/scwrl_917512516.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_917512516.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 T0299 can't currently be optimized by undertaker # naming current conformation FUGUE_AL4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_888060144.pdb -s /var/tmp/to_scwrl_888060144.seq -o /var/tmp/from_scwrl_888060144.pdb > /var/tmp/scwrl_888060144.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_888060144.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 T0299 can't currently be optimized by undertaker # naming current conformation FUGUE_AL5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_368342446.pdb -s /var/tmp/to_scwrl_368342446.seq -o /var/tmp/from_scwrl_368342446.pdb > /var/tmp/scwrl_368342446.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_368342446.pdb # conformation set from SCWRL output # naming current conformation FUGUE_AL5-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS1.pdb.gz looking for model 1 # Found a chain break before 175 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_452206581.pdb -s /var/tmp/to_scwrl_452206581.seq -o /var/tmp/from_scwrl_452206581.pdb > /var/tmp/scwrl_452206581.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_452206581.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 176 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1083787660.pdb -s /var/tmp/to_scwrl_1083787660.seq -o /var/tmp/from_scwrl_1083787660.pdb > /var/tmp/scwrl_1083787660.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1083787660.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS2-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS3.pdb.gz looking for model 1 # Found a chain break before 177 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_73866204.pdb -s /var/tmp/to_scwrl_73866204.seq -o /var/tmp/from_scwrl_73866204.pdb > /var/tmp/scwrl_73866204.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_73866204.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS3-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS4.pdb.gz looking for model 1 # Found a chain break before 177 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1250476004.pdb -s /var/tmp/to_scwrl_1250476004.seq -o /var/tmp/from_scwrl_1250476004.pdb > /var/tmp/scwrl_1250476004.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1250476004.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 177 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1298932523.pdb -s /var/tmp/to_scwrl_1298932523.seq -o /var/tmp/from_scwrl_1298932523.pdb > /var/tmp/scwrl_1298932523.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1298932523.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS5-scwrl # ReadConformPDB reading from PDB file servers/Frankenstein_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0299 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1764453824.pdb -s /var/tmp/to_scwrl_1764453824.seq -o /var/tmp/from_scwrl_1764453824.pdb > /var/tmp/scwrl_1764453824.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1764453824.pdb # conformation set from SCWRL output # naming current conformation Frankenstein_TS3-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS1.pdb.gz looking for model 1 # Found a chain break before 175 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1906369207.pdb -s /var/tmp/to_scwrl_1906369207.seq -o /var/tmp/from_scwrl_1906369207.pdb > /var/tmp/scwrl_1906369207.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1906369207.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS1-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS2.pdb.gz looking for model 1 # Found a chain break before 93 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_885079706.pdb -s /var/tmp/to_scwrl_885079706.seq -o /var/tmp/from_scwrl_885079706.pdb > /var/tmp/scwrl_885079706.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_885079706.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS2-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS3.pdb.gz looking for model 1 # Found a chain break before 165 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1016491260.pdb -s /var/tmp/to_scwrl_1016491260.seq -o /var/tmp/from_scwrl_1016491260.pdb > /var/tmp/scwrl_1016491260.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1016491260.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS3-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS4.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_2982483.pdb -s /var/tmp/to_scwrl_2982483.seq -o /var/tmp/from_scwrl_2982483.pdb > /var/tmp/scwrl_2982483.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2982483.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS4-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS5.pdb.gz looking for model 1 # Found a chain break before 175 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_703765142.pdb -s /var/tmp/to_scwrl_703765142.seq -o /var/tmp/from_scwrl_703765142.pdb > /var/tmp/scwrl_703765142.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_703765142.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS5-scwrl # ReadConformPDB reading from PDB file servers/HHpred1_TS1.pdb.gz looking for model 1 # Found a chain break before 44 # copying to AlignedFragments data structure # naming current conformation HHpred1_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1700045589.pdb -s /var/tmp/to_scwrl_1700045589.seq -o /var/tmp/from_scwrl_1700045589.pdb > /var/tmp/scwrl_1700045589.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1700045589.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 74 # copying to AlignedFragments data structure # naming current conformation HHpred2_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1416488168.pdb -s /var/tmp/to_scwrl_1416488168.seq -o /var/tmp/from_scwrl_1416488168.pdb > /var/tmp/scwrl_1416488168.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1416488168.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 89 # copying to AlignedFragments data structure # naming current conformation HHpred3_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1305468226.pdb -s /var/tmp/to_scwrl_1305468226.seq -o /var/tmp/from_scwrl_1305468226.pdb > /var/tmp/scwrl_1305468226.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1305468226.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 T0299 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1810631066.pdb -s /var/tmp/to_scwrl_1810631066.seq -o /var/tmp/from_scwrl_1810631066.pdb > /var/tmp/scwrl_1810631066.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1810631066.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 T0299 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_78207639.pdb -s /var/tmp/to_scwrl_78207639.seq -o /var/tmp/from_scwrl_78207639.pdb > /var/tmp/scwrl_78207639.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_78207639.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 T0299 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_565410715.pdb -s /var/tmp/to_scwrl_565410715.seq -o /var/tmp/from_scwrl_565410715.pdb > /var/tmp/scwrl_565410715.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_565410715.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 T0299 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1883371635.pdb -s /var/tmp/to_scwrl_1883371635.seq -o /var/tmp/from_scwrl_1883371635.pdb > /var/tmp/scwrl_1883371635.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1883371635.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 T0299 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1125833734.pdb -s /var/tmp/to_scwrl_1125833734.seq -o /var/tmp/from_scwrl_1125833734.pdb > /var/tmp/scwrl_1125833734.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1125833734.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 T0299 can't currently be optimized by undertaker # naming current conformation LOOPP_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1226548336.pdb -s /var/tmp/to_scwrl_1226548336.seq -o /var/tmp/from_scwrl_1226548336.pdb > /var/tmp/scwrl_1226548336.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1226548336.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 T0299 can't currently be optimized by undertaker # naming current conformation LOOPP_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_214906756.pdb -s /var/tmp/to_scwrl_214906756.seq -o /var/tmp/from_scwrl_214906756.pdb > /var/tmp/scwrl_214906756.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_214906756.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 T0299 can't currently be optimized by undertaker # naming current conformation LOOPP_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1381660733.pdb -s /var/tmp/to_scwrl_1381660733.seq -o /var/tmp/from_scwrl_1381660733.pdb > /var/tmp/scwrl_1381660733.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1381660733.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 T0299 can't currently be optimized by undertaker # naming current conformation LOOPP_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_2016207946.pdb -s /var/tmp/to_scwrl_2016207946.seq -o /var/tmp/from_scwrl_2016207946.pdb > /var/tmp/scwrl_2016207946.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2016207946.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 T0299 can't currently be optimized by undertaker # naming current conformation LOOPP_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1268284467.pdb -s /var/tmp/to_scwrl_1268284467.seq -o /var/tmp/from_scwrl_1268284467.pdb > /var/tmp/scwrl_1268284467.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1268284467.pdb # conformation set from SCWRL output # naming current conformation LOOPP_TS5-scwrl # ReadConformPDB reading from PDB file servers/MIG_FROST_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0299 can't currently be optimized by undertaker # naming current conformation MIG_FROST_AL1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_830931570.pdb -s /var/tmp/to_scwrl_830931570.seq -o /var/tmp/from_scwrl_830931570.pdb > /var/tmp/scwrl_830931570.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_830931570.pdb # conformation set from SCWRL output # naming current conformation MIG_FROST_AL1-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS1.pdb.gz looking for model 1 # Found a chain break before 141 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1896869226.pdb -s /var/tmp/to_scwrl_1896869226.seq -o /var/tmp/from_scwrl_1896869226.pdb > /var/tmp/scwrl_1896869226.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1896869226.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 174 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_523875984.pdb -s /var/tmp/to_scwrl_523875984.seq -o /var/tmp/from_scwrl_523875984.pdb > /var/tmp/scwrl_523875984.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_523875984.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 169 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_238222596.pdb -s /var/tmp/to_scwrl_238222596.seq -o /var/tmp/from_scwrl_238222596.pdb > /var/tmp/scwrl_238222596.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_238222596.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 178 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_666898095.pdb -s /var/tmp/to_scwrl_666898095.seq -o /var/tmp/from_scwrl_666898095.pdb > /var/tmp/scwrl_666898095.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_666898095.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 147 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1411936127.pdb -s /var/tmp/to_scwrl_1411936127.seq -o /var/tmp/from_scwrl_1411936127.pdb > /var/tmp/scwrl_1411936127.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1411936127.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 167 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_606565042.pdb -s /var/tmp/to_scwrl_606565042.seq -o /var/tmp/from_scwrl_606565042.pdb > /var/tmp/scwrl_606565042.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_606565042.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 166 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1119104675.pdb -s /var/tmp/to_scwrl_1119104675.seq -o /var/tmp/from_scwrl_1119104675.pdb > /var/tmp/scwrl_1119104675.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1119104675.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 167 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_348240141.pdb -s /var/tmp/to_scwrl_348240141.seq -o /var/tmp/from_scwrl_348240141.pdb > /var/tmp/scwrl_348240141.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_348240141.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 179 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_680431246.pdb -s /var/tmp/to_scwrl_680431246.seq -o /var/tmp/from_scwrl_680431246.pdb > /var/tmp/scwrl_680431246.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_680431246.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 166 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_222097033.pdb -s /var/tmp/to_scwrl_222097033.seq -o /var/tmp/from_scwrl_222097033.pdb > /var/tmp/scwrl_222097033.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_222097033.pdb # conformation set from SCWRL output # naming current conformation MetaTasser_TS5-scwrl # ReadConformPDB reading from PDB file servers/NN_PUT_lab_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0299 can't currently be optimized by undertaker # naming current conformation NN_PUT_lab_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1647172664.pdb -s /var/tmp/to_scwrl_1647172664.seq -o /var/tmp/from_scwrl_1647172664.pdb > /var/tmp/scwrl_1647172664.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1647172664.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 162 ; scwrl3 -i /var/tmp/to_scwrl_297401424.pdb -s /var/tmp/to_scwrl_297401424.seq -o /var/tmp/from_scwrl_297401424.pdb > /var/tmp/scwrl_297401424.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_297401424.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 162 ; scwrl3 -i /var/tmp/to_scwrl_2128466240.pdb -s /var/tmp/to_scwrl_2128466240.seq -o /var/tmp/from_scwrl_2128466240.pdb > /var/tmp/scwrl_2128466240.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2128466240.pdb # conformation set from SCWRL output # naming current conformation PROTINFO-AB_TS2-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS3.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_384768723.pdb -s /var/tmp/to_scwrl_384768723.seq -o /var/tmp/from_scwrl_384768723.pdb > /var/tmp/scwrl_384768723.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_384768723.pdb # conformation set from SCWRL output # naming current conformation PROTINFO-AB_TS3-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS4.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1313892683.pdb -s /var/tmp/to_scwrl_1313892683.seq -o /var/tmp/from_scwrl_1313892683.pdb > /var/tmp/scwrl_1313892683.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1313892683.pdb # conformation set from SCWRL output # naming current conformation PROTINFO-AB_TS4-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS5.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_2131448723.pdb -s /var/tmp/to_scwrl_2131448723.seq -o /var/tmp/from_scwrl_2131448723.pdb > /var/tmp/scwrl_2131448723.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2131448723.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 T0299 can't currently be optimized by undertaker # naming current conformation PROTINFO_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1088533865.pdb -s /var/tmp/to_scwrl_1088533865.seq -o /var/tmp/from_scwrl_1088533865.pdb > /var/tmp/scwrl_1088533865.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1088533865.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 # naming current conformation PROTINFO_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_866454627.pdb -s /var/tmp/to_scwrl_866454627.seq -o /var/tmp/from_scwrl_866454627.pdb > /var/tmp/scwrl_866454627.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_866454627.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 T0299 can't currently be optimized by undertaker # naming current conformation PROTINFO_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1400453245.pdb -s /var/tmp/to_scwrl_1400453245.seq -o /var/tmp/from_scwrl_1400453245.pdb > /var/tmp/scwrl_1400453245.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1400453245.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS3-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS4.pdb.gz looking for model 1 # naming current conformation PROTINFO_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_246518445.pdb -s /var/tmp/to_scwrl_246518445.seq -o /var/tmp/from_scwrl_246518445.pdb > /var/tmp/scwrl_246518445.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_246518445.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 T0299 can't currently be optimized by undertaker # naming current conformation PROTINFO_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_529602046.pdb -s /var/tmp/to_scwrl_529602046.seq -o /var/tmp/from_scwrl_529602046.pdb > /var/tmp/scwrl_529602046.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_529602046.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 T0299 can't currently be optimized by undertaker # naming current conformation Pcons6_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1478660884.pdb -s /var/tmp/to_scwrl_1478660884.seq -o /var/tmp/from_scwrl_1478660884.pdb > /var/tmp/scwrl_1478660884.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1478660884.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 # Found a chain break before 179 # copying to AlignedFragments data structure # naming current conformation Pcons6_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_811929161.pdb -s /var/tmp/to_scwrl_811929161.seq -o /var/tmp/from_scwrl_811929161.pdb > /var/tmp/scwrl_811929161.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_811929161.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 # Found a chain break before 133 # copying to AlignedFragments data structure # naming current conformation Pcons6_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_265490035.pdb -s /var/tmp/to_scwrl_265490035.seq -o /var/tmp/from_scwrl_265490035.pdb > /var/tmp/scwrl_265490035.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_265490035.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 # Found a chain break before 170 # copying to AlignedFragments data structure # naming current conformation Pcons6_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_457010972.pdb -s /var/tmp/to_scwrl_457010972.seq -o /var/tmp/from_scwrl_457010972.pdb > /var/tmp/scwrl_457010972.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_457010972.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 # Found a chain break before 132 # copying to AlignedFragments data structure # naming current conformation Pcons6_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_2038477497.pdb -s /var/tmp/to_scwrl_2038477497.seq -o /var/tmp/from_scwrl_2038477497.pdb > /var/tmp/scwrl_2038477497.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2038477497.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 T0299 can't currently be optimized by undertaker # naming current conformation Phyre-1_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_480396791.pdb -s /var/tmp/to_scwrl_480396791.seq -o /var/tmp/from_scwrl_480396791.pdb > /var/tmp/scwrl_480396791.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_480396791.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 # WARNING: incomplete conformation T0299 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1838671706.pdb -s /var/tmp/to_scwrl_1838671706.seq -o /var/tmp/from_scwrl_1838671706.pdb > /var/tmp/scwrl_1838671706.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1838671706.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 # WARNING: incomplete conformation T0299 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1907201797.pdb -s /var/tmp/to_scwrl_1907201797.seq -o /var/tmp/from_scwrl_1907201797.pdb > /var/tmp/scwrl_1907201797.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1907201797.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 # WARNING: incomplete conformation T0299 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1748681258.pdb -s /var/tmp/to_scwrl_1748681258.seq -o /var/tmp/from_scwrl_1748681258.pdb > /var/tmp/scwrl_1748681258.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1748681258.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 # WARNING: incomplete conformation T0299 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_522119629.pdb -s /var/tmp/to_scwrl_522119629.seq -o /var/tmp/from_scwrl_522119629.pdb > /var/tmp/scwrl_522119629.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_522119629.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS4-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0299 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1656587376.pdb -s /var/tmp/to_scwrl_1656587376.seq -o /var/tmp/from_scwrl_1656587376.pdb > /var/tmp/scwrl_1656587376.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1656587376.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS5-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS1.pdb.gz looking for model 1 # Found a chain break before 103 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_125073595.pdb -s /var/tmp/to_scwrl_125073595.seq -o /var/tmp/from_scwrl_125073595.pdb > /var/tmp/scwrl_125073595.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_125073595.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 # Found a chain break before 170 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_760342225.pdb -s /var/tmp/to_scwrl_760342225.seq -o /var/tmp/from_scwrl_760342225.pdb > /var/tmp/scwrl_760342225.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_760342225.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 # Found a chain break before 179 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_176001824.pdb -s /var/tmp/to_scwrl_176001824.seq -o /var/tmp/from_scwrl_176001824.pdb > /var/tmp/scwrl_176001824.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_176001824.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 # Found a chain break before 133 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1537009723.pdb -s /var/tmp/to_scwrl_1537009723.seq -o /var/tmp/from_scwrl_1537009723.pdb > /var/tmp/scwrl_1537009723.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1537009723.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS4-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS5.pdb.gz looking for model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1366907266.pdb -s /var/tmp/to_scwrl_1366907266.seq -o /var/tmp/from_scwrl_1366907266.pdb > /var/tmp/scwrl_1366907266.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1366907266.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 150 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1295106499.pdb -s /var/tmp/to_scwrl_1295106499.seq -o /var/tmp/from_scwrl_1295106499.pdb > /var/tmp/scwrl_1295106499.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1295106499.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 138 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1885249864.pdb -s /var/tmp/to_scwrl_1885249864.seq -o /var/tmp/from_scwrl_1885249864.pdb > /var/tmp/scwrl_1885249864.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1885249864.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 178 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_2047338512.pdb -s /var/tmp/to_scwrl_2047338512.seq -o /var/tmp/from_scwrl_2047338512.pdb > /var/tmp/scwrl_2047338512.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2047338512.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 174 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1517203532.pdb -s /var/tmp/to_scwrl_1517203532.seq -o /var/tmp/from_scwrl_1517203532.pdb > /var/tmp/scwrl_1517203532.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1517203532.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 170 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1384938882.pdb -s /var/tmp/to_scwrl_1384938882.seq -o /var/tmp/from_scwrl_1384938882.pdb > /var/tmp/scwrl_1384938882.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1384938882.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 157 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_197256289.pdb -s /var/tmp/to_scwrl_197256289.seq -o /var/tmp/from_scwrl_197256289.pdb > /var/tmp/scwrl_197256289.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_197256289.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 155 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1498186126.pdb -s /var/tmp/to_scwrl_1498186126.seq -o /var/tmp/from_scwrl_1498186126.pdb > /var/tmp/scwrl_1498186126.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1498186126.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 151 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1769707605.pdb -s /var/tmp/to_scwrl_1769707605.seq -o /var/tmp/from_scwrl_1769707605.pdb > /var/tmp/scwrl_1769707605.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1769707605.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 157 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1511148973.pdb -s /var/tmp/to_scwrl_1511148973.seq -o /var/tmp/from_scwrl_1511148973.pdb > /var/tmp/scwrl_1511148973.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1511148973.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 178 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1482151202.pdb -s /var/tmp/to_scwrl_1482151202.seq -o /var/tmp/from_scwrl_1482151202.pdb > /var/tmp/scwrl_1482151202.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1482151202.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 156 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_710757824.pdb -s /var/tmp/to_scwrl_710757824.seq -o /var/tmp/from_scwrl_710757824.pdb > /var/tmp/scwrl_710757824.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_710757824.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 132 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_230119953.pdb -s /var/tmp/to_scwrl_230119953.seq -o /var/tmp/from_scwrl_230119953.pdb > /var/tmp/scwrl_230119953.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_230119953.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 137 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_735120801.pdb -s /var/tmp/to_scwrl_735120801.seq -o /var/tmp/from_scwrl_735120801.pdb > /var/tmp/scwrl_735120801.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_735120801.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 135 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_957276270.pdb -s /var/tmp/to_scwrl_957276270.seq -o /var/tmp/from_scwrl_957276270.pdb > /var/tmp/scwrl_957276270.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_957276270.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 167 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_759721999.pdb -s /var/tmp/to_scwrl_759721999.seq -o /var/tmp/from_scwrl_759721999.pdb > /var/tmp/scwrl_759721999.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_759721999.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 103 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_66298038.pdb -s /var/tmp/to_scwrl_66298038.seq -o /var/tmp/from_scwrl_66298038.pdb > /var/tmp/scwrl_66298038.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_66298038.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 167 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1769205430.pdb -s /var/tmp/to_scwrl_1769205430.seq -o /var/tmp/from_scwrl_1769205430.pdb > /var/tmp/scwrl_1769205430.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1769205430.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 44 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1025212034.pdb -s /var/tmp/to_scwrl_1025212034.seq -o /var/tmp/from_scwrl_1025212034.pdb > /var/tmp/scwrl_1025212034.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1025212034.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 132 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_523309011.pdb -s /var/tmp/to_scwrl_523309011.seq -o /var/tmp/from_scwrl_523309011.pdb > /var/tmp/scwrl_523309011.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_523309011.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 33 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1660199280.pdb -s /var/tmp/to_scwrl_1660199280.seq -o /var/tmp/from_scwrl_1660199280.pdb > /var/tmp/scwrl_1660199280.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1660199280.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 WARNING: atoms too close: (T0299)K16.CA and (T0299)K16.CB only 0.000 apart, marking (T0299)K16.CB as missing WARNING: atoms too close: (T0299)K18.CA and (T0299)K18.CB only 0.000 apart, marking (T0299)K18.CB as missing WARNING: atoms too close: (T0299)N30.CA and (T0299)N30.CB only 0.000 apart, marking (T0299)N30.CB as missing WARNING: atoms too close: (T0299)K35.CA and (T0299)K35.CB only 0.000 apart, marking (T0299)K35.CB as missing WARNING: atoms too close: (T0299)I50.CA and (T0299)I50.CB only 0.000 apart, marking (T0299)I50.CB as missing WARNING: atoms too close: (T0299)Q72.CA and (T0299)Q72.CB only 0.000 apart, marking (T0299)Q72.CB as missing WARNING: atoms too close: (T0299)L79.CA and (T0299)L79.CB only 0.000 apart, marking (T0299)L79.CB as missing WARNING: atoms too close: (T0299)F82.CA and (T0299)F82.CB only 0.000 apart, marking (T0299)F82.CB as missing WARNING: atoms too close: (T0299)E85.CA and (T0299)E85.CB only 0.000 apart, marking (T0299)E85.CB as missing WARNING: atoms too close: (T0299)E87.CA and (T0299)E87.CB only 0.000 apart, marking (T0299)E87.CB as missing WARNING: atoms too close: (T0299)A91.CA and (T0299)A91.CB only 0.000 apart, marking (T0299)A91.CB as missing WARNING: atoms too close: (T0299)Y105.CA and (T0299)Y105.CB only 0.000 apart, marking (T0299)Y105.CB as missing WARNING: atoms too close: (T0299)E107.CA and (T0299)E107.CB only 0.000 apart, marking (T0299)E107.CB as missing WARNING: atoms too close: (T0299)E122.CA and (T0299)E122.CB only 0.000 apart, marking (T0299)E122.CB as missing WARNING: atoms too close: (T0299)F130.CA and (T0299)F130.CB only 0.000 apart, marking (T0299)F130.CB as missing WARNING: atoms too close: (T0299)K139.CA and (T0299)K139.CB only 0.000 apart, marking (T0299)K139.CB as missing WARNING: atoms too close: (T0299)E142.CA and (T0299)E142.CB only 0.000 apart, marking (T0299)E142.CB as missing WARNING: atoms too close: (T0299)Y150.CA and (T0299)Y150.CB only 0.000 apart, marking (T0299)Y150.CB as missing WARNING: atoms too close: (T0299)K173.CA and (T0299)K173.CB only 0.000 apart, marking (T0299)K173.CB as missing # WARNING: incomplete conformation T0299 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1505608825.pdb -s /var/tmp/to_scwrl_1505608825.seq -o /var/tmp/from_scwrl_1505608825.pdb > /var/tmp/scwrl_1505608825.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1505608825.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 WARNING: atoms too close: (T0299)K16.CA and (T0299)K16.CB only 0.000 apart, marking (T0299)K16.CB as missing WARNING: atoms too close: (T0299)M21.CA and (T0299)M21.CB only 0.000 apart, marking (T0299)M21.CB as missing WARNING: atoms too close: (T0299)L33.CA and (T0299)L33.CB only 0.000 apart, marking (T0299)L33.CB as missing WARNING: atoms too close: (T0299)S49.CA and (T0299)S49.CB only 0.000 apart, marking (T0299)S49.CB as missing WARNING: atoms too close: (T0299)I50.CA and (T0299)I50.CB only 0.000 apart, marking (T0299)I50.CB as missing WARNING: atoms too close: (T0299)V66.CA and (T0299)V66.CB only 0.000 apart, marking (T0299)V66.CB as missing WARNING: atoms too close: (T0299)P69.CA and (T0299)P69.CB only 0.000 apart, marking (T0299)P69.CB as missing WARNING: atoms too close: (T0299)L103.CA and (T0299)L103.CB only 0.000 apart, marking (T0299)L103.CB as missing WARNING: atoms too close: (T0299)V111.CA and (T0299)V111.CB only 0.000 apart, marking (T0299)V111.CB as missing WARNING: atoms too close: (T0299)E126.CA and (T0299)E126.CB only 0.000 apart, marking (T0299)E126.CB as missing WARNING: atoms too close: (T0299)Y129.CA and (T0299)Y129.CB only 0.000 apart, marking (T0299)Y129.CB as missing WARNING: atoms too close: (T0299)L133.CA and (T0299)L133.CB only 0.000 apart, marking (T0299)L133.CB as missing WARNING: atoms too close: (T0299)F136.CA and (T0299)F136.CB only 0.000 apart, marking (T0299)F136.CB as missing WARNING: atoms too close: (T0299)Y145.CA and (T0299)Y145.CB only 0.000 apart, marking (T0299)Y145.CB as missing WARNING: atoms too close: (T0299)L155.CA and (T0299)L155.CB only 0.000 apart, marking (T0299)L155.CB as missing WARNING: atoms too close: (T0299)A168.CA and (T0299)A168.CB only 0.000 apart, marking (T0299)A168.CB as missing # WARNING: incomplete conformation T0299 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_214497070.pdb -s /var/tmp/to_scwrl_214497070.seq -o /var/tmp/from_scwrl_214497070.pdb > /var/tmp/scwrl_214497070.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_214497070.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 WARNING: atoms too close: (T0299)V8.CA and (T0299)V8.CB only 0.000 apart, marking (T0299)V8.CB as missing WARNING: atoms too close: (T0299)I11.CA and (T0299)I11.CB only 0.000 apart, marking (T0299)I11.CB as missing WARNING: atoms too close: (T0299)R25.CA and (T0299)R25.CB only 0.000 apart, marking (T0299)R25.CB as missing WARNING: atoms too close: (T0299)N30.CA and (T0299)N30.CB only 0.000 apart, marking (T0299)N30.CB as missing WARNING: atoms too close: (T0299)K53.CA and (T0299)K53.CB only 0.000 apart, marking (T0299)K53.CB as missing WARNING: atoms too close: (T0299)E58.CA and (T0299)E58.CB only 0.000 apart, marking (T0299)E58.CB as missing WARNING: atoms too close: (T0299)K59.CA and (T0299)K59.CB only 0.000 apart, marking (T0299)K59.CB as missing WARNING: atoms too close: (T0299)F70.CA and (T0299)F70.CB only 0.000 apart, marking (T0299)F70.CB as missing WARNING: atoms too close: (T0299)F74.CA and (T0299)F74.CB only 0.000 apart, marking (T0299)F74.CB as missing WARNING: atoms too close: (T0299)F82.CA and (T0299)F82.CB only 0.000 apart, marking (T0299)F82.CB as missing WARNING: atoms too close: (T0299)E85.CA and (T0299)E85.CB only 0.000 apart, marking (T0299)E85.CB as missing WARNING: atoms too close: (T0299)N88.CA and (T0299)N88.CB only 0.000 apart, marking (T0299)N88.CB as missing WARNING: atoms too close: (T0299)W92.CA and (T0299)W92.CB only 0.000 apart, marking (T0299)W92.CB as missing WARNING: atoms too close: (T0299)A98.CA and (T0299)A98.CB only 0.000 apart, marking (T0299)A98.CB as missing WARNING: atoms too close: (T0299)K100.CA and (T0299)K100.CB only 0.000 apart, marking (T0299)K100.CB as missing WARNING: atoms too close: (T0299)E119.CA and (T0299)E119.CB only 0.000 apart, marking (T0299)E119.CB as missing WARNING: atoms too close: (T0299)L121.CA and (T0299)L121.CB only 0.000 apart, marking (T0299)L121.CB as missing WARNING: atoms too close: (T0299)E126.CA and (T0299)E126.CB only 0.000 apart, marking (T0299)E126.CB as missing WARNING: atoms too close: (T0299)F130.CA and (T0299)F130.CB only 0.000 apart, marking (T0299)F130.CB as missing WARNING: atoms too close: (T0299)K139.CA and (T0299)K139.CB only 0.000 apart, marking (T0299)K139.CB as missing WARNING: atoms too close: (T0299)Y145.CA and (T0299)Y145.CB only 0.000 apart, marking (T0299)Y145.CB as missing WARNING: atoms too close: (T0299)L155.CA and (T0299)L155.CB only 0.000 apart, marking (T0299)L155.CB as missing WARNING: atoms too close: (T0299)K180.CA and (T0299)K180.CB only 0.000 apart, marking (T0299)K180.CB as missing # WARNING: incomplete conformation T0299 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1419917430.pdb -s /var/tmp/to_scwrl_1419917430.seq -o /var/tmp/from_scwrl_1419917430.pdb > /var/tmp/scwrl_1419917430.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1419917430.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 WARNING: atoms too close: (T0299)Y4.CA and (T0299)Y4.CB only 0.000 apart, marking (T0299)Y4.CB as missing WARNING: atoms too close: (T0299)A5.CA and (T0299)A5.CB only 0.000 apart, marking (T0299)A5.CB as missing WARNING: atoms too close: (T0299)L6.CA and (T0299)L6.CB only 0.000 apart, marking (T0299)L6.CB as missing WARNING: atoms too close: (T0299)I11.CA and (T0299)I11.CB only 0.000 apart, marking (T0299)I11.CB as missing WARNING: atoms too close: (T0299)K16.CA and (T0299)K16.CB only 0.000 apart, marking (T0299)K16.CB as missing WARNING: atoms too close: (T0299)V19.CA and (T0299)V19.CB only 0.000 apart, marking (T0299)V19.CB as missing WARNING: atoms too close: (T0299)L33.CA and (T0299)L33.CB only 0.000 apart, marking (T0299)L33.CB as missing WARNING: atoms too close: (T0299)I45.CA and (T0299)I45.CB only 0.000 apart, marking (T0299)I45.CB as missing WARNING: atoms too close: (T0299)Y68.CA and (T0299)Y68.CB only 0.000 apart, marking (T0299)Y68.CB as missing WARNING: atoms too close: (T0299)P69.CA and (T0299)P69.CB only 0.000 apart, marking (T0299)P69.CB as missing WARNING: atoms too close: (T0299)F70.CA and (T0299)F70.CB only 0.000 apart, marking (T0299)F70.CB as missing WARNING: atoms too close: (T0299)Q72.CA and (T0299)Q72.CB only 0.000 apart, marking (T0299)Q72.CB as missing WARNING: atoms too close: (T0299)F82.CA and (T0299)F82.CB only 0.000 apart, marking (T0299)F82.CB as missing WARNING: atoms too close: (T0299)L89.CA and (T0299)L89.CB only 0.000 apart, marking (T0299)L89.CB as missing WARNING: atoms too close: (T0299)A91.CA and (T0299)A91.CB only 0.000 apart, marking (T0299)A91.CB as missing WARNING: atoms too close: (T0299)L128.CA and (T0299)L128.CB only 0.000 apart, marking (T0299)L128.CB as missing WARNING: atoms too close: (T0299)F130.CA and (T0299)F130.CB only 0.000 apart, marking (T0299)F130.CB as missing WARNING: atoms too close: (T0299)K132.CA and (T0299)K132.CB only 0.000 apart, marking (T0299)K132.CB as missing WARNING: atoms too close: (T0299)L133.CA and (T0299)L133.CB only 0.000 apart, marking (T0299)L133.CB as missing WARNING: atoms too close: (T0299)W137.CA and (T0299)W137.CB only 0.000 apart, marking (T0299)W137.CB as missing WARNING: atoms too close: (T0299)E143.CA and (T0299)E143.CB only 0.000 apart, marking (T0299)E143.CB as missing WARNING: atoms too close: (T0299)Y153.CA and (T0299)Y153.CB only 0.000 apart, marking (T0299)Y153.CB as missing WARNING: atoms too close: (T0299)K156.CA and (T0299)K156.CB only 0.000 apart, marking (T0299)K156.CB as missing # WARNING: incomplete conformation T0299 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1106806436.pdb -s /var/tmp/to_scwrl_1106806436.seq -o /var/tmp/from_scwrl_1106806436.pdb > /var/tmp/scwrl_1106806436.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1106806436.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 WARNING: atoms too close: (T0299)L28.CA and (T0299)L28.CB only 0.000 apart, marking (T0299)L28.CB as missing WARNING: atoms too close: (T0299)T29.CA and (T0299)T29.CB only 0.000 apart, marking (T0299)T29.CB as missing WARNING: atoms too close: (T0299)K35.CA and (T0299)K35.CB only 0.000 apart, marking (T0299)K35.CB as missing WARNING: atoms too close: (T0299)Y39.CA and (T0299)Y39.CB only 0.000 apart, marking (T0299)Y39.CB as missing WARNING: atoms too close: (T0299)S49.CA and (T0299)S49.CB only 0.000 apart, marking (T0299)S49.CB as missing WARNING: atoms too close: (T0299)D51.CA and (T0299)D51.CB only 0.000 apart, marking (T0299)D51.CB as missing WARNING: atoms too close: (T0299)F64.CA and (T0299)F64.CB only 0.000 apart, marking (T0299)F64.CB as missing WARNING: atoms too close: (T0299)V66.CA and (T0299)V66.CB only 0.000 apart, marking (T0299)V66.CB as missing WARNING: atoms too close: (T0299)Y68.CA and (T0299)Y68.CB only 0.000 apart, marking (T0299)Y68.CB as missing WARNING: atoms too close: (T0299)F74.CA and (T0299)F74.CB only 0.000 apart, marking (T0299)F74.CB as missing WARNING: atoms too close: (T0299)L76.CA and (T0299)L76.CB only 0.000 apart, marking (T0299)L76.CB as missing WARNING: atoms too close: (T0299)L79.CA and (T0299)L79.CB only 0.000 apart, marking (T0299)L79.CB as missing WARNING: atoms too close: (T0299)E80.CA and (T0299)E80.CB only 0.000 apart, marking (T0299)E80.CB as missing WARNING: atoms too close: (T0299)E85.CA and (T0299)E85.CB only 0.000 apart, marking (T0299)E85.CB as missing WARNING: atoms too close: (T0299)L86.CA and (T0299)L86.CB only 0.000 apart, marking (T0299)L86.CB as missing WARNING: atoms too close: (T0299)A91.CA and (T0299)A91.CB only 0.000 apart, marking (T0299)A91.CB as missing WARNING: atoms too close: (T0299)S94.CA and (T0299)S94.CB only 0.000 apart, marking (T0299)S94.CB as missing WARNING: atoms too close: (T0299)L103.CA and (T0299)L103.CB only 0.000 apart, marking (T0299)L103.CB as missing WARNING: atoms too close: (T0299)V118.CA and (T0299)V118.CB only 0.000 apart, marking (T0299)V118.CB as missing WARNING: atoms too close: (T0299)E126.CA and (T0299)E126.CB only 0.000 apart, marking (T0299)E126.CB as missing WARNING: atoms too close: (T0299)K139.CA and (T0299)K139.CB only 0.000 apart, marking (T0299)K139.CB as missing WARNING: atoms too close: (T0299)S144.CA and (T0299)S144.CB only 0.000 apart, marking (T0299)S144.CB as missing WARNING: atoms too close: (T0299)L155.CA and (T0299)L155.CB only 0.000 apart, marking (T0299)L155.CB as missing WARNING: atoms too close: (T0299)P158.CA and (T0299)P158.CB only 0.000 apart, marking (T0299)P158.CB as missing WARNING: atoms too close: (T0299)F171.CA and (T0299)F171.CB only 0.000 apart, marking (T0299)F171.CB as missing # WARNING: incomplete conformation T0299 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_736616699.pdb -s /var/tmp/to_scwrl_736616699.seq -o /var/tmp/from_scwrl_736616699.pdb > /var/tmp/scwrl_736616699.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_736616699.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 T0299 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_929021160.pdb -s /var/tmp/to_scwrl_929021160.seq -o /var/tmp/from_scwrl_929021160.pdb > /var/tmp/scwrl_929021160.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_929021160.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 T0299 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1231880032.pdb -s /var/tmp/to_scwrl_1231880032.seq -o /var/tmp/from_scwrl_1231880032.pdb > /var/tmp/scwrl_1231880032.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1231880032.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 T0299 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1496958923.pdb -s /var/tmp/to_scwrl_1496958923.seq -o /var/tmp/from_scwrl_1496958923.pdb > /var/tmp/scwrl_1496958923.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1496958923.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 T0299 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1105022983.pdb -s /var/tmp/to_scwrl_1105022983.seq -o /var/tmp/from_scwrl_1105022983.pdb > /var/tmp/scwrl_1105022983.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1105022983.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 # WARNING: incomplete conformation T0299 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_621406109.pdb -s /var/tmp/to_scwrl_621406109.seq -o /var/tmp/from_scwrl_621406109.pdb > /var/tmp/scwrl_621406109.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_621406109.pdb # conformation set from SCWRL output # naming current conformation SAM-T02_AL5-scwrl # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS1.pdb.gz looking for model 1 # Found a chain break before 165 # copying to AlignedFragments data structure # naming current conformation SAM_T06_server_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_716382543.pdb -s /var/tmp/to_scwrl_716382543.seq -o /var/tmp/from_scwrl_716382543.pdb > /var/tmp/scwrl_716382543.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_716382543.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 T0299 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_252645836.pdb -s /var/tmp/to_scwrl_252645836.seq -o /var/tmp/from_scwrl_252645836.pdb > /var/tmp/scwrl_252645836.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_252645836.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 T0299 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_359172326.pdb -s /var/tmp/to_scwrl_359172326.seq -o /var/tmp/from_scwrl_359172326.pdb > /var/tmp/scwrl_359172326.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_359172326.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 T0299 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_616237408.pdb -s /var/tmp/to_scwrl_616237408.seq -o /var/tmp/from_scwrl_616237408.pdb > /var/tmp/scwrl_616237408.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_616237408.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 T0299 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1769849369.pdb -s /var/tmp/to_scwrl_1769849369.seq -o /var/tmp/from_scwrl_1769849369.pdb > /var/tmp/scwrl_1769849369.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1769849369.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 161 # copying to AlignedFragments data structure # naming current conformation SP3_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1744111208.pdb -s /var/tmp/to_scwrl_1744111208.seq -o /var/tmp/from_scwrl_1744111208.pdb > /var/tmp/scwrl_1744111208.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1744111208.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 172 # copying to AlignedFragments data structure # naming current conformation SP3_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_813493698.pdb -s /var/tmp/to_scwrl_813493698.seq -o /var/tmp/from_scwrl_813493698.pdb > /var/tmp/scwrl_813493698.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_813493698.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 98 # copying to AlignedFragments data structure # naming current conformation SP3_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1120551848.pdb -s /var/tmp/to_scwrl_1120551848.seq -o /var/tmp/from_scwrl_1120551848.pdb > /var/tmp/scwrl_1120551848.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1120551848.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 157 # copying to AlignedFragments data structure # naming current conformation SP3_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1366335167.pdb -s /var/tmp/to_scwrl_1366335167.seq -o /var/tmp/from_scwrl_1366335167.pdb > /var/tmp/scwrl_1366335167.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1366335167.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 148 # copying to AlignedFragments data structure # naming current conformation SP3_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_177159024.pdb -s /var/tmp/to_scwrl_177159024.seq -o /var/tmp/from_scwrl_177159024.pdb > /var/tmp/scwrl_177159024.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_177159024.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 146 # copying to AlignedFragments data structure # naming current conformation SP4_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_455219404.pdb -s /var/tmp/to_scwrl_455219404.seq -o /var/tmp/from_scwrl_455219404.pdb > /var/tmp/scwrl_455219404.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_455219404.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 134 # copying to AlignedFragments data structure # naming current conformation SP4_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_2077092991.pdb -s /var/tmp/to_scwrl_2077092991.seq -o /var/tmp/from_scwrl_2077092991.pdb > /var/tmp/scwrl_2077092991.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2077092991.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 175 # copying to AlignedFragments data structure # naming current conformation SP4_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_407278977.pdb -s /var/tmp/to_scwrl_407278977.seq -o /var/tmp/from_scwrl_407278977.pdb > /var/tmp/scwrl_407278977.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_407278977.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 157 # copying to AlignedFragments data structure # naming current conformation SP4_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1190340205.pdb -s /var/tmp/to_scwrl_1190340205.seq -o /var/tmp/from_scwrl_1190340205.pdb > /var/tmp/scwrl_1190340205.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1190340205.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 90 # copying to AlignedFragments data structure # naming current conformation SP4_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_886885614.pdb -s /var/tmp/to_scwrl_886885614.seq -o /var/tmp/from_scwrl_886885614.pdb > /var/tmp/scwrl_886885614.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_886885614.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 175 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1167000975.pdb -s /var/tmp/to_scwrl_1167000975.seq -o /var/tmp/from_scwrl_1167000975.pdb > /var/tmp/scwrl_1167000975.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1167000975.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 155 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1256638243.pdb -s /var/tmp/to_scwrl_1256638243.seq -o /var/tmp/from_scwrl_1256638243.pdb > /var/tmp/scwrl_1256638243.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1256638243.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 105 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_508607397.pdb -s /var/tmp/to_scwrl_508607397.seq -o /var/tmp/from_scwrl_508607397.pdb > /var/tmp/scwrl_508607397.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_508607397.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 148 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_44729363.pdb -s /var/tmp/to_scwrl_44729363.seq -o /var/tmp/from_scwrl_44729363.pdb > /var/tmp/scwrl_44729363.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_44729363.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 103 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1779947254.pdb -s /var/tmp/to_scwrl_1779947254.seq -o /var/tmp/from_scwrl_1779947254.pdb > /var/tmp/scwrl_1779947254.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1779947254.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 T0299 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_21323031.pdb -s /var/tmp/to_scwrl_21323031.seq -o /var/tmp/from_scwrl_21323031.pdb > /var/tmp/scwrl_21323031.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_21323031.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 T0299 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1550338188.pdb -s /var/tmp/to_scwrl_1550338188.seq -o /var/tmp/from_scwrl_1550338188.pdb > /var/tmp/scwrl_1550338188.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1550338188.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 T0299 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1994444324.pdb -s /var/tmp/to_scwrl_1994444324.seq -o /var/tmp/from_scwrl_1994444324.pdb > /var/tmp/scwrl_1994444324.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1994444324.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 T0299 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1441240461.pdb -s /var/tmp/to_scwrl_1441240461.seq -o /var/tmp/from_scwrl_1441240461.pdb > /var/tmp/scwrl_1441240461.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1441240461.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 T0299 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_509660978.pdb -s /var/tmp/to_scwrl_509660978.seq -o /var/tmp/from_scwrl_509660978.pdb > /var/tmp/scwrl_509660978.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_509660978.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 T0299 can't currently be optimized by undertaker # naming current conformation UNI-EID_expm_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_583577376.pdb -s /var/tmp/to_scwrl_583577376.seq -o /var/tmp/from_scwrl_583577376.pdb > /var/tmp/scwrl_583577376.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_583577376.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 T0299 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_222777975.pdb -s /var/tmp/to_scwrl_222777975.seq -o /var/tmp/from_scwrl_222777975.pdb > /var/tmp/scwrl_222777975.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_222777975.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 T0299 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1741541010.pdb -s /var/tmp/to_scwrl_1741541010.seq -o /var/tmp/from_scwrl_1741541010.pdb > /var/tmp/scwrl_1741541010.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1741541010.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 T0299 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_2080536299.pdb -s /var/tmp/to_scwrl_2080536299.seq -o /var/tmp/from_scwrl_2080536299.pdb > /var/tmp/scwrl_2080536299.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2080536299.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 T0299 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1327800958.pdb -s /var/tmp/to_scwrl_1327800958.seq -o /var/tmp/from_scwrl_1327800958.pdb > /var/tmp/scwrl_1327800958.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1327800958.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 T0299 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_215463472.pdb -s /var/tmp/to_scwrl_215463472.seq -o /var/tmp/from_scwrl_215463472.pdb > /var/tmp/scwrl_215463472.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_215463472.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 166 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_649435195.pdb -s /var/tmp/to_scwrl_649435195.seq -o /var/tmp/from_scwrl_649435195.pdb > /var/tmp/scwrl_649435195.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_649435195.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 167 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1580446795.pdb -s /var/tmp/to_scwrl_1580446795.seq -o /var/tmp/from_scwrl_1580446795.pdb > /var/tmp/scwrl_1580446795.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1580446795.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 174 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_574635799.pdb -s /var/tmp/to_scwrl_574635799.seq -o /var/tmp/from_scwrl_574635799.pdb > /var/tmp/scwrl_574635799.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_574635799.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 167 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1265672603.pdb -s /var/tmp/to_scwrl_1265672603.seq -o /var/tmp/from_scwrl_1265672603.pdb > /var/tmp/scwrl_1265672603.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1265672603.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 177 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1202812517.pdb -s /var/tmp/to_scwrl_1202812517.seq -o /var/tmp/from_scwrl_1202812517.pdb > /var/tmp/scwrl_1202812517.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1202812517.pdb # conformation set from SCWRL output # naming current conformation Zhang-Server_TS5-scwrl # ReadConformPDB reading from PDB file servers/beautshot_TS1.pdb.gz looking for model 1 # Found a chain break before 174 # copying to AlignedFragments data structure # naming current conformation beautshot_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_171263360.pdb -s /var/tmp/to_scwrl_171263360.seq -o /var/tmp/from_scwrl_171263360.pdb > /var/tmp/scwrl_171263360.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_171263360.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 # Found a chain break before 174 # copying to AlignedFragments data structure # naming current conformation beautshotbase_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_2079166301.pdb -s /var/tmp/to_scwrl_2079166301.seq -o /var/tmp/from_scwrl_2079166301.pdb > /var/tmp/scwrl_2079166301.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2079166301.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 T0299 can't currently be optimized by undertaker # naming current conformation forecast-s_AL1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_175880719.pdb -s /var/tmp/to_scwrl_175880719.seq -o /var/tmp/from_scwrl_175880719.pdb > /var/tmp/scwrl_175880719.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_175880719.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 T0299 can't currently be optimized by undertaker # naming current conformation forecast-s_AL2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1537598527.pdb -s /var/tmp/to_scwrl_1537598527.seq -o /var/tmp/from_scwrl_1537598527.pdb > /var/tmp/scwrl_1537598527.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1537598527.pdb # conformation set from SCWRL output # naming current conformation forecast-s_AL2-scwrl # ReadConformPDB reading from PDB file servers/forecast-s_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0299 can't currently be optimized by undertaker # naming current conformation forecast-s_AL3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_108841678.pdb -s /var/tmp/to_scwrl_108841678.seq -o /var/tmp/from_scwrl_108841678.pdb > /var/tmp/scwrl_108841678.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_108841678.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 Skipped atom 5, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL4.pdb.gz # WARNING: incomplete conformation T0299 can't currently be optimized by undertaker # naming current conformation forecast-s_AL4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_631100123.pdb -s /var/tmp/to_scwrl_631100123.seq -o /var/tmp/from_scwrl_631100123.pdb > /var/tmp/scwrl_631100123.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_631100123.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 T0299 can't currently be optimized by undertaker # naming current conformation forecast-s_AL5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1467207872.pdb -s /var/tmp/to_scwrl_1467207872.seq -o /var/tmp/from_scwrl_1467207872.pdb > /var/tmp/scwrl_1467207872.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1467207872.pdb # conformation set from SCWRL output # naming current conformation forecast-s_AL5-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS1.pdb.gz looking for model 1 # Found a chain break before 173 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_516120655.pdb -s /var/tmp/to_scwrl_516120655.seq -o /var/tmp/from_scwrl_516120655.pdb > /var/tmp/scwrl_516120655.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_516120655.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 161 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1821440328.pdb -s /var/tmp/to_scwrl_1821440328.seq -o /var/tmp/from_scwrl_1821440328.pdb > /var/tmp/scwrl_1821440328.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1821440328.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 157 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_206609839.pdb -s /var/tmp/to_scwrl_206609839.seq -o /var/tmp/from_scwrl_206609839.pdb > /var/tmp/scwrl_206609839.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_206609839.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 177 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1683121630.pdb -s /var/tmp/to_scwrl_1683121630.seq -o /var/tmp/from_scwrl_1683121630.pdb > /var/tmp/scwrl_1683121630.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1683121630.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 174 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_930594926.pdb -s /var/tmp/to_scwrl_930594926.seq -o /var/tmp/from_scwrl_930594926.pdb > /var/tmp/scwrl_930594926.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_930594926.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 # Found a chain break before 178 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_715217237.pdb -s /var/tmp/to_scwrl_715217237.seq -o /var/tmp/from_scwrl_715217237.pdb > /var/tmp/scwrl_715217237.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_715217237.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 177 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1727850993.pdb -s /var/tmp/to_scwrl_1727850993.seq -o /var/tmp/from_scwrl_1727850993.pdb > /var/tmp/scwrl_1727850993.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1727850993.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: (T0299)G131.O and (T0299)K132.N only 0.000 apart, marking (T0299)K132.N as missing # WARNING: incomplete conformation T0299 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 162 ; scwrl3 -i /var/tmp/to_scwrl_563058533.pdb -s /var/tmp/to_scwrl_563058533.seq -o /var/tmp/from_scwrl_563058533.pdb > /var/tmp/scwrl_563058533.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_563058533.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 # Found a chain break before 177 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_736540268.pdb -s /var/tmp/to_scwrl_736540268.seq -o /var/tmp/from_scwrl_736540268.pdb > /var/tmp/scwrl_736540268.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_736540268.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 # Found a chain break before 179 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1130705534.pdb -s /var/tmp/to_scwrl_1130705534.seq -o /var/tmp/from_scwrl_1130705534.pdb > /var/tmp/scwrl_1130705534.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1130705534.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS5-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0299 can't currently be optimized by undertaker # naming current conformation keasar-server_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_410019211.pdb -s /var/tmp/to_scwrl_410019211.seq -o /var/tmp/from_scwrl_410019211.pdb > /var/tmp/scwrl_410019211.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_410019211.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 T0299 can't currently be optimized by undertaker # naming current conformation keasar-server_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_30297082.pdb -s /var/tmp/to_scwrl_30297082.seq -o /var/tmp/from_scwrl_30297082.pdb > /var/tmp/scwrl_30297082.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_30297082.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 T0299 can't currently be optimized by undertaker # naming current conformation keasar-server_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1640366513.pdb -s /var/tmp/to_scwrl_1640366513.seq -o /var/tmp/from_scwrl_1640366513.pdb > /var/tmp/scwrl_1640366513.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1640366513.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 T0299 can't currently be optimized by undertaker # naming current conformation keasar-server_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_993596587.pdb -s /var/tmp/to_scwrl_993596587.seq -o /var/tmp/from_scwrl_993596587.pdb > /var/tmp/scwrl_993596587.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_993596587.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 T0299 can't currently be optimized by undertaker # naming current conformation keasar-server_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_253075057.pdb -s /var/tmp/to_scwrl_253075057.seq -o /var/tmp/from_scwrl_253075057.pdb > /var/tmp/scwrl_253075057.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_253075057.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 T0299 can't currently be optimized by undertaker # naming current conformation mGen-3D_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1234423876.pdb -s /var/tmp/to_scwrl_1234423876.seq -o /var/tmp/from_scwrl_1234423876.pdb > /var/tmp/scwrl_1234423876.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1234423876.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 T0299 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation nFOLD_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_926649240.pdb -s /var/tmp/to_scwrl_926649240.seq -o /var/tmp/from_scwrl_926649240.pdb > /var/tmp/scwrl_926649240.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_926649240.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 T0299 can't currently be optimized by undertaker # naming current conformation nFOLD_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1580876016.pdb -s /var/tmp/to_scwrl_1580876016.seq -o /var/tmp/from_scwrl_1580876016.pdb > /var/tmp/scwrl_1580876016.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1580876016.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 T0299 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation nFOLD_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1449887349.pdb -s /var/tmp/to_scwrl_1449887349.seq -o /var/tmp/from_scwrl_1449887349.pdb > /var/tmp/scwrl_1449887349.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1449887349.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 T0299 can't currently be optimized by undertaker # naming current conformation nFOLD_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1576084434.pdb -s /var/tmp/to_scwrl_1576084434.seq -o /var/tmp/from_scwrl_1576084434.pdb > /var/tmp/scwrl_1576084434.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1576084434.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 T0299 can't currently be optimized by undertaker # naming current conformation nFOLD_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1013839165.pdb -s /var/tmp/to_scwrl_1013839165.seq -o /var/tmp/from_scwrl_1013839165.pdb > /var/tmp/scwrl_1013839165.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1013839165.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 T0299 can't currently be optimized by undertaker # naming current conformation panther2_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_2024523148.pdb -s /var/tmp/to_scwrl_2024523148.seq -o /var/tmp/from_scwrl_2024523148.pdb > /var/tmp/scwrl_2024523148.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2024523148.pdb # conformation set from SCWRL output # naming current conformation panther2_TS1-scwrl # ReadConformPDB reading from PDB file servers/shub_TS1.pdb.gz looking for model 1 # Found a chain break before 169 # copying to AlignedFragments data structure # naming current conformation shub_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_694273391.pdb -s /var/tmp/to_scwrl_694273391.seq -o /var/tmp/from_scwrl_694273391.pdb > /var/tmp/scwrl_694273391.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_694273391.pdb # conformation set from SCWRL output # naming current conformation shub_TS1-scwrl # command:CPU_time= 34.5727 sec, elapsed time= 405.922 sec) # command:# Prefix for output files set to decoys/ # command:# Will now start reporting costs to decoys/evaluate_1.rdb # command:# CostConform Warning: Couldn't open file decoys//projects/compbio/experiments/undertaker/spots/near-backbone-center.spot or decoys//projects/compbio/experiments/undertaker/spots/near-backbone-center.spot.gz for input Trying /projects/compbio/experiments/undertaker/spots/near-backbone-center.spot # Reading spots from /projects/compbio/experiments/undertaker/spots/near-backbone-center.spot shub_TS1-scwrl costs 0 real_cost = 216.262 shub_TS1 costs 0 real_cost = 225.644 panther2_TS1-scwrl costs 0 real_cost = 477.971 panther2_TS1 costs 0 real_cost = 486.558 nFOLD_TS5-scwrl costs 0 real_cost = 224.346 nFOLD_TS5 costs 0 real_cost = 304.857 nFOLD_TS4-scwrl costs 0 real_cost = 232.801 nFOLD_TS4 costs 0 real_cost = 349.069 nFOLD_TS3-scwrl costs 0 real_cost = 343.319 nFOLD_TS3 costs 0 real_cost = 343.325 nFOLD_TS2-scwrl costs 0 real_cost = 234.749 nFOLD_TS2 costs 0 real_cost = 337.451 nFOLD_TS1-scwrl costs 0 real_cost = 325.534 nFOLD_TS1 costs 0 real_cost = 325.537 mGen-3D_TS1-scwrl costs 0 real_cost = 242.306 mGen-3D_TS1 costs 0 real_cost = 336.796 keasar-server_TS5-scwrl costs 0 real_cost = 388.635 keasar-server_TS5 costs 0 real_cost = 394.597 keasar-server_TS4-scwrl costs 0 real_cost = 339.282 keasar-server_TS4 costs 0 real_cost = 329.438 keasar-server_TS3-scwrl costs 0 real_cost = 318.887 keasar-server_TS3 costs 0 real_cost = 318.2 keasar-server_TS2-scwrl costs 0 real_cost = 270.775 keasar-server_TS2 costs 0 real_cost = 276.736 keasar-server_TS1-scwrl costs 0 real_cost = 290.829 keasar-server_TS1 costs 0 real_cost = 297.044 karypis.srv.4_TS5-scwrl costs 0 real_cost = 233.437 karypis.srv.4_TS5 costs 0 real_cost = 233.437 karypis.srv.4_TS4-scwrl costs 0 real_cost = 211.844 karypis.srv.4_TS4 costs 0 real_cost = 211.844 karypis.srv.4_TS3-scwrl costs 0 real_cost = 209.309 karypis.srv.4_TS3 costs 0 real_cost = 207.972 karypis.srv.4_TS2-scwrl costs 0 real_cost = 299.458 karypis.srv.4_TS2 costs 0 real_cost = 299.458 karypis.srv.4_TS1-scwrl costs 0 real_cost = 316.112 karypis.srv.4_TS1 costs 0 real_cost = 316.459 karypis.srv.2_TS5-scwrl costs 0 real_cost = 174.763 karypis.srv.2_TS5 costs 0 real_cost = 174.763 karypis.srv.2_TS4-scwrl costs 0 real_cost = 185.677 karypis.srv.2_TS4 costs 0 real_cost = 185.677 karypis.srv.2_TS3-scwrl costs 0 real_cost = 211.845 karypis.srv.2_TS3 costs 0 real_cost = 211.845 karypis.srv.2_TS2-scwrl costs 0 real_cost = 169.775 karypis.srv.2_TS2 costs 0 real_cost = 169.787 karypis.srv.2_TS1-scwrl costs 0 real_cost = 183.274 karypis.srv.2_TS1 costs 0 real_cost = 183.274 forecast-s_AL5-scwrl costs 0 real_cost = 370.385 forecast-s_AL5 costs 0 real_cost = 452.764 forecast-s_AL4-scwrl costs 0 real_cost = 249.135 forecast-s_AL4 costs 0 real_cost = 355.469 forecast-s_AL3-scwrl costs 0 real_cost = 388.637 forecast-s_AL3 costs 0 real_cost = 436.148 forecast-s_AL2-scwrl costs 0 real_cost = 309.905 forecast-s_AL2 costs 0 real_cost = 401.845 forecast-s_AL1-scwrl costs 0 real_cost = 346.845 forecast-s_AL1 costs 0 real_cost = 440.63 beautshotbase_TS1-scwrl costs 0 real_cost = 210.467 beautshotbase_TS1 costs 0 real_cost = 214.784 beautshot_TS1-scwrl costs 0 real_cost = 213.602 beautshot_TS1 costs 0 real_cost = 223.483 Zhang-Server_TS5-scwrl costs 0 real_cost = 207.525 Zhang-Server_TS5 costs 0 real_cost = 203.574 Zhang-Server_TS4-scwrl costs 0 real_cost = 151.049 Zhang-Server_TS4 costs 0 real_cost = 176.176 Zhang-Server_TS3-scwrl costs 0 real_cost = 214.283 Zhang-Server_TS3 costs 0 real_cost = 217.405 Zhang-Server_TS2-scwrl costs 0 real_cost = 126.237 Zhang-Server_TS2 costs 0 real_cost = 128.905 Zhang-Server_TS1-scwrl costs 0 real_cost = 157.971 Zhang-Server_TS1 costs 0 real_cost = 168.062 UNI-EID_sfst_AL5-scwrl costs 0 real_cost = 302.854 UNI-EID_sfst_AL5 costs 0 real_cost = 336.894 UNI-EID_sfst_AL4-scwrl costs 0 real_cost = 303.159 UNI-EID_sfst_AL4 costs 0 real_cost = 337.396 UNI-EID_sfst_AL3-scwrl costs 0 real_cost = 388.019 UNI-EID_sfst_AL3 costs 0 real_cost = 410.478 UNI-EID_sfst_AL2-scwrl costs 0 real_cost = 459.208 UNI-EID_sfst_AL2 costs 0 real_cost = 493.645 UNI-EID_sfst_AL1-scwrl costs 0 real_cost = 350.383 UNI-EID_sfst_AL1 costs 0 real_cost = 399.066 UNI-EID_expm_TS1-scwrl costs 0 real_cost = 291.208 UNI-EID_expm_TS1 costs 0 real_cost = 355.544 UNI-EID_bnmx_TS5-scwrl costs 0 real_cost = 238.417 UNI-EID_bnmx_TS5 costs 0 real_cost = 304.332 UNI-EID_bnmx_TS4-scwrl costs 0 real_cost = 233.689 UNI-EID_bnmx_TS4 costs 0 real_cost = 297.906 UNI-EID_bnmx_TS3-scwrl costs 0 real_cost = 222.284 UNI-EID_bnmx_TS3 costs 0 real_cost = 303.584 UNI-EID_bnmx_TS2-scwrl costs 0 real_cost = 324.234 UNI-EID_bnmx_TS2 costs 0 real_cost = 418.773 UNI-EID_bnmx_TS1-scwrl costs 0 real_cost = 307.83 UNI-EID_bnmx_TS1 costs 0 real_cost = 385.142 SPARKS2_TS5-scwrl costs 0 real_cost = 264.889 SPARKS2_TS5 costs 0 real_cost = 267.915 SPARKS2_TS4-scwrl costs 0 real_cost = 172.652 SPARKS2_TS4 costs 0 real_cost = 174.902 SPARKS2_TS3-scwrl costs 0 real_cost = 130.185 SPARKS2_TS3 costs 0 real_cost = 142.531 SPARKS2_TS2-scwrl costs 0 real_cost = 222.665 SPARKS2_TS2 costs 0 real_cost = 225.416 SPARKS2_TS1-scwrl costs 0 real_cost = 223.974 SPARKS2_TS1 costs 0 real_cost = 222.721 SP4_TS5-scwrl costs 0 real_cost = 192.196 SP4_TS5 costs 0 real_cost = 197.756 SP4_TS4-scwrl costs 0 real_cost = 169.124 SP4_TS4 costs 0 real_cost = 173.299 SP4_TS3-scwrl costs 0 real_cost = 140.4 SP4_TS3 costs 0 real_cost = 159.649 SP4_TS2-scwrl costs 0 real_cost = 140.124 SP4_TS2 costs 0 real_cost = 149.655 SP4_TS1-scwrl costs 0 real_cost = 190.087 SP4_TS1 costs 0 real_cost = 199.73 SP3_TS5-scwrl costs 0 real_cost = 210.323 SP3_TS5 costs 0 real_cost = 215.991 SP3_TS4-scwrl costs 0 real_cost = 222.755 SP3_TS4 costs 0 real_cost = 230.639 SP3_TS3-scwrl costs 0 real_cost = 229.216 SP3_TS3 costs 0 real_cost = 234.787 SP3_TS2-scwrl costs 0 real_cost = 209.082 SP3_TS2 costs 0 real_cost = 218.437 SP3_TS1-scwrl costs 0 real_cost = 155.944 SP3_TS1 costs 0 real_cost = 167.418 SAM_T06_server_TS5-scwrl costs 0 real_cost = 458.72 SAM_T06_server_TS5 costs 0 real_cost = 390.519 SAM_T06_server_TS4-scwrl costs 0 real_cost = 382.47 SAM_T06_server_TS4 costs 0 real_cost = 354.356 SAM_T06_server_TS3-scwrl costs 0 real_cost = 262.998 SAM_T06_server_TS3 costs 0 real_cost = 239.861 SAM_T06_server_TS2-scwrl costs 0 real_cost = 280.416 SAM_T06_server_TS2 costs 0 real_cost = 225.603 SAM_T06_server_TS1-scwrl costs 0 real_cost = 212.91 SAM_T06_server_TS1 costs 0 real_cost = 214.604 SAM-T02_AL5-scwrl costs 0 real_cost = 453.975 SAM-T02_AL5 costs 0 real_cost = 481.279 SAM-T02_AL4-scwrl costs 0 real_cost = 447.26 SAM-T02_AL4 costs 0 real_cost = 476.888 SAM-T02_AL3-scwrl costs 0 real_cost = 344.418 SAM-T02_AL3 costs 0 real_cost = 423.655 SAM-T02_AL2-scwrl costs 0 real_cost = 238.747 SAM-T02_AL2 costs 0 real_cost = 362.287 SAM-T02_AL1-scwrl costs 0 real_cost = 285.323 SAM-T02_AL1 costs 0 real_cost = 332.588 ROKKY_TS5-scwrl costs 0 real_cost = 155.807 ROKKY_TS5 costs 0 real_cost = 279.64 ROKKY_TS4-scwrl costs 0 real_cost = 186.491 ROKKY_TS4 costs 0 real_cost = 305.486 ROKKY_TS3-scwrl costs 0 real_cost = 148.586 ROKKY_TS3 costs 0 real_cost = 268.047 ROKKY_TS2-scwrl costs 0 real_cost = 193.557 ROKKY_TS2 costs 0 real_cost = 306.997 ROKKY_TS1-scwrl costs 0 real_cost = 146.47 ROKKY_TS1 costs 0 real_cost = 263.204 ROBETTA_TS5-scwrl costs 0 real_cost = 171.017 ROBETTA_TS5 costs 0 real_cost = 173.538 ROBETTA_TS4-scwrl costs 0 real_cost = 203.317 ROBETTA_TS4 costs 0 real_cost = 202.874 ROBETTA_TS3-scwrl costs 0 real_cost = 166.137 ROBETTA_TS3 costs 0 real_cost = 172.956 ROBETTA_TS2-scwrl costs 0 real_cost = 210.387 ROBETTA_TS2 costs 0 real_cost = 212.779 ROBETTA_TS1-scwrl costs 0 real_cost = 98.111 ROBETTA_TS1 costs 0 real_cost = 104.886 RAPTOR_TS5-scwrl costs 0 real_cost = 203.995 RAPTOR_TS5 costs 0 real_cost = 209.276 RAPTOR_TS4-scwrl costs 0 real_cost = 208.391 RAPTOR_TS4 costs 0 real_cost = 212.596 RAPTOR_TS3-scwrl costs 0 real_cost = 166.695 RAPTOR_TS3 costs 0 real_cost = 180.144 RAPTOR_TS2-scwrl costs 0 real_cost = 168.548 RAPTOR_TS2 costs 0 real_cost = 182.465 RAPTOR_TS1-scwrl costs 0 real_cost = 164.471 RAPTOR_TS1 costs 0 real_cost = 171.568 RAPTORESS_TS5-scwrl costs 0 real_cost = 184.949 RAPTORESS_TS5 costs 0 real_cost = 189.279 RAPTORESS_TS4-scwrl costs 0 real_cost = 226.241 RAPTORESS_TS4 costs 0 real_cost = 230.31 RAPTORESS_TS3-scwrl costs 0 real_cost = 267.646 RAPTORESS_TS3 costs 0 real_cost = 265.378 RAPTORESS_TS2-scwrl costs 0 real_cost = 184.639 RAPTORESS_TS2 costs 0 real_cost = 188.669 RAPTORESS_TS1-scwrl costs 0 real_cost = 234.442 RAPTORESS_TS1 costs 0 real_cost = 241.398 RAPTOR-ACE_TS5-scwrl costs 0 real_cost = 202.582 RAPTOR-ACE_TS5 costs 0 real_cost = 206.585 RAPTOR-ACE_TS4-scwrl costs 0 real_cost = 207.805 RAPTOR-ACE_TS4 costs 0 real_cost = 213.533 RAPTOR-ACE_TS3-scwrl costs 0 real_cost = 139.331 RAPTOR-ACE_TS3 costs 0 real_cost = 136.008 RAPTOR-ACE_TS2-scwrl costs 0 real_cost = 233.106 RAPTOR-ACE_TS2 costs 0 real_cost = 237.733 RAPTOR-ACE_TS1-scwrl costs 0 real_cost = 164.304 RAPTOR-ACE_TS1 costs 0 real_cost = 171.241 Pmodeller6_TS5-scwrl costs 0 real_cost = 145.743 Pmodeller6_TS5 costs 0 real_cost = 146.4 Pmodeller6_TS4-scwrl costs 0 real_cost = 199.229 Pmodeller6_TS4 costs 0 real_cost = 199.441 Pmodeller6_TS3-scwrl costs 0 real_cost = 180.302 Pmodeller6_TS3 costs 0 real_cost = 187.074 Pmodeller6_TS2-scwrl costs 0 real_cost = 176.496 Pmodeller6_TS2 costs 0 real_cost = 181.206 Pmodeller6_TS1-scwrl costs 0 real_cost = 98.111 Pmodeller6_TS1 costs 0 real_cost = 104.886 Phyre-2_TS5-scwrl costs 0 real_cost = 157.461 Phyre-2_TS5 costs 0 real_cost = 156.981 Phyre-2_TS4-scwrl costs 0 real_cost = 127.976 Phyre-2_TS4 costs 0 real_cost = 126.573 Phyre-2_TS3-scwrl costs 0 real_cost = 152.951 Phyre-2_TS3 costs 0 real_cost = 151.26 Phyre-2_TS2-scwrl costs 0 real_cost = 153.119 Phyre-2_TS2 costs 0 real_cost = 151.757 Phyre-2_TS1-scwrl costs 0 real_cost = 146.423 Phyre-2_TS1 costs 0 real_cost = 144.469 Phyre-1_TS1-scwrl costs 0 real_cost = 307.336 Phyre-1_TS1 costs 0 real_cost = 304.684 Pcons6_TS5-scwrl costs 0 real_cost = 203.317 Pcons6_TS5 costs 0 real_cost = 202.874 Pcons6_TS4-scwrl costs 0 real_cost = 176.496 Pcons6_TS4 costs 0 real_cost = 181.206 Pcons6_TS3-scwrl costs 0 real_cost = 199.229 Pcons6_TS3 costs 0 real_cost = 199.441 Pcons6_TS2-scwrl costs 0 real_cost = 180.302 Pcons6_TS2 costs 0 real_cost = 187.074 Pcons6_TS1-scwrl costs 0 real_cost = 280.08 Pcons6_TS1 costs 0 real_cost = 277.276 PROTINFO_TS5-scwrl costs 0 real_cost = 337.697 PROTINFO_TS5 costs 0 real_cost = 340.55 PROTINFO_TS4-scwrl costs 0 real_cost = 185.374 PROTINFO_TS4 costs 0 real_cost = 198.238 PROTINFO_TS3-scwrl costs 0 real_cost = 412.882 PROTINFO_TS3 costs 0 real_cost = 408.988 PROTINFO_TS2-scwrl costs 0 real_cost = 219.671 PROTINFO_TS2 costs 0 real_cost = 233.172 PROTINFO_TS1-scwrl costs 0 real_cost = 396.574 PROTINFO_TS1 costs 0 real_cost = 396.121 PROTINFO-AB_TS5-scwrl costs 0 real_cost = 222.384 PROTINFO-AB_TS5 costs 0 real_cost = 222.74 PROTINFO-AB_TS4-scwrl costs 0 real_cost = 185.374 PROTINFO-AB_TS4 costs 0 real_cost = 198.238 PROTINFO-AB_TS3-scwrl costs 0 real_cost = 205.389 PROTINFO-AB_TS3 costs 0 real_cost = 216.51 PROTINFO-AB_TS2-scwrl costs 0 real_cost = 219.671 PROTINFO-AB_TS2 costs 0 real_cost = 233.172 PROTINFO-AB_TS1-scwrl costs 0 real_cost = 198.394 PROTINFO-AB_TS1 costs 0 real_cost = 207.305 NN_PUT_lab_TS1-scwrl costs 0 real_cost = 178.667 NN_PUT_lab_TS1 costs 0 real_cost = 186.471 MetaTasser_TS5-scwrl costs 0 real_cost = 106.878 MetaTasser_TS5 costs 0 real_cost = 116.549 MetaTasser_TS4-scwrl costs 0 real_cost = 80.5197 MetaTasser_TS4 costs 0 real_cost = 85.502 MetaTasser_TS3-scwrl costs 0 real_cost = 168.692 MetaTasser_TS3 costs 0 real_cost = 162.152 MetaTasser_TS2-scwrl costs 0 real_cost = 101.993 MetaTasser_TS2 costs 0 real_cost = 101.988 MetaTasser_TS1-scwrl costs 0 real_cost = 120.329 MetaTasser_TS1 costs 0 real_cost = 133.934 Ma-OPUS-server_TS5-scwrl costs 0 real_cost = 168.121 Ma-OPUS-server_TS5 costs 0 real_cost = 194.026 Ma-OPUS-server_TS4-scwrl costs 0 real_cost = 188.978 Ma-OPUS-server_TS4 costs 0 real_cost = 182.162 Ma-OPUS-server_TS3-scwrl costs 0 real_cost = 204.925 Ma-OPUS-server_TS3 costs 0 real_cost = 213.863 Ma-OPUS-server_TS2-scwrl costs 0 real_cost = 189.879 Ma-OPUS-server_TS2 costs 0 real_cost = 198.832 Ma-OPUS-server_TS1-scwrl costs 0 real_cost = 177.665 Ma-OPUS-server_TS1 costs 0 real_cost = 190.973 MIG_FROST_AL1-scwrl costs 0 real_cost = 462.94 MIG_FROST_AL1 costs 0 real_cost = 580.257 LOOPP_TS5-scwrl costs 0 real_cost = 200.707 LOOPP_TS5 costs 0 real_cost = 197.874 LOOPP_TS4-scwrl costs 0 real_cost = 194.067 LOOPP_TS4 costs 0 real_cost = 204.865 LOOPP_TS3-scwrl costs 0 real_cost = 215.96 LOOPP_TS3 costs 0 real_cost = 219.964 LOOPP_TS2-scwrl costs 0 real_cost = 241.341 LOOPP_TS2 costs 0 real_cost = 247.986 LOOPP_TS1-scwrl costs 0 real_cost = 178.667 LOOPP_TS1 costs 0 real_cost = 186.471 Huber-Torda-Server_TS5-scwrl costs 0 real_cost = 383.797 Huber-Torda-Server_TS5 costs 0 real_cost = 424.455 Huber-Torda-Server_TS4-scwrl costs 0 real_cost = 329.518 Huber-Torda-Server_TS4 costs 0 real_cost = 397.93 Huber-Torda-Server_TS3-scwrl costs 0 real_cost = 346.312 Huber-Torda-Server_TS3 costs 0 real_cost = 405.669 Huber-Torda-Server_TS2-scwrl costs 0 real_cost = 250.749 Huber-Torda-Server_TS2 costs 0 real_cost = 342.827 Huber-Torda-Server_TS1-scwrl costs 0 real_cost = 259.843 Huber-Torda-Server_TS1 costs 0 real_cost = 335.777 HHpred3_TS1-scwrl costs 0 real_cost = 212.231 HHpred3_TS1 costs 0 real_cost = 221.854 HHpred2_TS1-scwrl costs 0 real_cost = 338.559 HHpred2_TS1 costs 0 real_cost = 352.622 HHpred1_TS1-scwrl costs 0 real_cost = 309.258 HHpred1_TS1 costs 0 real_cost = 314.552 GeneSilicoMetaServer_TS5-scwrl costs 0 real_cost = 204.588 GeneSilicoMetaServer_TS5 costs 0 real_cost = 203.008 GeneSilicoMetaServer_TS4-scwrl costs 0 real_cost = 231.019 GeneSilicoMetaServer_TS4 costs 0 real_cost = 234.97 GeneSilicoMetaServer_TS3-scwrl costs 0 real_cost = 260.216 GeneSilicoMetaServer_TS3 costs 0 real_cost = 261.536 GeneSilicoMetaServer_TS2-scwrl costs 0 real_cost = 216.816 GeneSilicoMetaServer_TS2 costs 0 real_cost = 227.955 GeneSilicoMetaServer_TS1-scwrl costs 0 real_cost = 198.536 GeneSilicoMetaServer_TS1 costs 0 real_cost = 198.173 Frankenstein_TS3-scwrl costs 0 real_cost = 332.231 Frankenstein_TS3 costs 0 real_cost = 332.339 FUNCTION_TS5-scwrl costs 0 real_cost = 388.017 FUNCTION_TS5 costs 0 real_cost = 387.884 FUNCTION_TS4-scwrl costs 0 real_cost = 364.858 FUNCTION_TS4 costs 0 real_cost = 366.495 FUNCTION_TS3-scwrl costs 0 real_cost = 339.156 FUNCTION_TS3 costs 0 real_cost = 344.165 FUNCTION_TS2-scwrl costs 0 real_cost = 360.281 FUNCTION_TS2 costs 0 real_cost = 363.244 FUNCTION_TS1-scwrl costs 0 real_cost = 356.578 FUNCTION_TS1 costs 0 real_cost = 355.485 FUGUE_AL5-scwrl costs 0 real_cost = 262.182 FUGUE_AL5 costs 0 real_cost = 403.719 FUGUE_AL4-scwrl costs 0 real_cost = 347.512 FUGUE_AL4 costs 0 real_cost = 397.194 FUGUE_AL3-scwrl costs 0 real_cost = 281.03 FUGUE_AL3 costs 0 real_cost = 404.345 FUGUE_AL2-scwrl costs 0 real_cost = 470.547 FUGUE_AL2 costs 0 real_cost = 470.547 FUGUE_AL1-scwrl costs 0 real_cost = 277.196 FUGUE_AL1 costs 0 real_cost = 417.531 FUGMOD_TS5-scwrl costs 0 real_cost = 245.851 FUGMOD_TS5 costs 0 real_cost = 248.774 FUGMOD_TS4-scwrl costs 0 real_cost = 349.787 FUGMOD_TS4 costs 0 real_cost = 352.144 FUGMOD_TS3-scwrl costs 0 real_cost = 264.143 FUGMOD_TS3 costs 0 real_cost = 266.236 FUGMOD_TS2-scwrl costs 0 real_cost = 299.18 FUGMOD_TS2 costs 0 real_cost = 296.333 FUGMOD_TS1-scwrl costs 0 real_cost = 259.414 FUGMOD_TS1 costs 0 real_cost = 261.133 FPSOLVER-SERVER_TS5-scwrl costs 0 real_cost = 326.248 FPSOLVER-SERVER_TS5 costs 0 real_cost = 326.996 FPSOLVER-SERVER_TS4-scwrl costs 0 real_cost = 250.77 FPSOLVER-SERVER_TS4 costs 0 real_cost = 249.944 FPSOLVER-SERVER_TS3-scwrl costs 0 real_cost = 249.904 FPSOLVER-SERVER_TS3 costs 0 real_cost = 249.63 FPSOLVER-SERVER_TS2-scwrl costs 0 real_cost = 230.238 FPSOLVER-SERVER_TS2 costs 0 real_cost = 230.441 FPSOLVER-SERVER_TS1-scwrl costs 0 real_cost = 267.418 FPSOLVER-SERVER_TS1 costs 0 real_cost = 267.998 FORTE2_AL5-scwrl costs 0 real_cost = 234.89 FORTE2_AL5 costs 0 real_cost = 372.836 FORTE2_AL4-scwrl costs 0 real_cost = 274.25 FORTE2_AL4 costs 0 real_cost = 381.556 FORTE2_AL3-scwrl costs 0 real_cost = 362.186 FORTE2_AL3 costs 0 real_cost = 449.041 FORTE2_AL2-scwrl costs 0 real_cost = 308.883 FORTE2_AL2 costs 0 real_cost = 407.532 FORTE2_AL1-scwrl costs 0 real_cost = 337.805 FORTE2_AL1 costs 0 real_cost = 426.192 FORTE1_AL5-scwrl costs 0 real_cost = 362.186 FORTE1_AL5 costs 0 real_cost = 449.041 FORTE1_AL4-scwrl costs 0 real_cost = 184.686 FORTE1_AL4 costs 0 real_cost = 309.024 FORTE1_AL3-scwrl costs 0 real_cost = 308.883 FORTE1_AL3 costs 0 real_cost = 407.532 FORTE1_AL2-scwrl costs 0 real_cost = 337.805 FORTE1_AL2 costs 0 real_cost = 426.192 FORTE1_AL1-scwrl costs 0 real_cost = 301.464 FORTE1_AL1 costs 0 real_cost = 449.414 FOLDpro_TS5-scwrl costs 0 real_cost = 282.154 FOLDpro_TS5 costs 0 real_cost = 288.759 FOLDpro_TS4-scwrl costs 0 real_cost = 278.568 FOLDpro_TS4 costs 0 real_cost = 280.633 FOLDpro_TS3-scwrl costs 0 real_cost = 241.945 FOLDpro_TS3 costs 0 real_cost = 251.402 FOLDpro_TS2-scwrl costs 0 real_cost = 254.452 FOLDpro_TS2 costs 0 real_cost = 249.282 FOLDpro_TS1-scwrl costs 0 real_cost = 254.466 FOLDpro_TS1 costs 0 real_cost = 254.966 FAMS_TS5-scwrl costs 0 real_cost = 144.683 FAMS_TS5 costs 0 real_cost = 157.841 FAMS_TS4-scwrl costs 0 real_cost = 150.67 FAMS_TS4 costs 0 real_cost = 156.054 FAMS_TS3-scwrl costs 0 real_cost = 400.376 FAMS_TS3 costs 0 real_cost = 401.198 FAMS_TS2-scwrl costs 0 real_cost = 267.107 FAMS_TS2 costs 0 real_cost = 269.113 FAMS_TS1-scwrl costs 0 real_cost = 161.801 FAMS_TS1 costs 0 real_cost = 173.359 FAMSD_TS5-scwrl costs 0 real_cost = 238.791 FAMSD_TS5 costs 0 real_cost = 240.786 FAMSD_TS4-scwrl costs 0 real_cost = 180.773 FAMSD_TS4 costs 0 real_cost = 185.289 FAMSD_TS3-scwrl costs 0 real_cost = 267.107 FAMSD_TS3 costs 0 real_cost = 269.113 FAMSD_TS2-scwrl costs 0 real_cost = 187.049 FAMSD_TS2 costs 0 real_cost = 184.566 FAMSD_TS1-scwrl costs 0 real_cost = 219.793 FAMSD_TS1 costs 0 real_cost = 217.992 Distill_TS5-scwrl costs 0 real_cost = 444.436 Distill_TS4-scwrl costs 0 real_cost = 431.455 Distill_TS3-scwrl costs 0 real_cost = 446.711 Distill_TS2-scwrl costs 0 real_cost = 439.737 Distill_TS1-scwrl costs 0 real_cost = 443.619 CaspIta-FOX_TS5-scwrl costs 0 real_cost = 221.147 CaspIta-FOX_TS5 costs 0 real_cost = 218.473 CaspIta-FOX_TS4-scwrl costs 0 real_cost = 222.594 CaspIta-FOX_TS4 costs 0 real_cost = 219.421 CaspIta-FOX_TS3-scwrl costs 0 real_cost = 281.926 CaspIta-FOX_TS3 costs 0 real_cost = 279.699 CaspIta-FOX_TS2-scwrl costs 0 real_cost = 224.061 CaspIta-FOX_TS2 costs 0 real_cost = 225.662 CaspIta-FOX_TS1-scwrl costs 0 real_cost = 204.493 CaspIta-FOX_TS1 costs 0 real_cost = 205.421 CIRCLE_TS5-scwrl costs 0 real_cost = 178.592 CIRCLE_TS5 costs 0 real_cost = 180.527 CIRCLE_TS4-scwrl costs 0 real_cost = 161.801 CIRCLE_TS4 costs 0 real_cost = 173.359 CIRCLE_TS3-scwrl costs 0 real_cost = 144.683 CIRCLE_TS3 costs 0 real_cost = 157.841 CIRCLE_TS2-scwrl costs 0 real_cost = 139.466 CIRCLE_TS2 costs 0 real_cost = 125.656 CIRCLE_TS1-scwrl costs 0 real_cost = 150.67 CIRCLE_TS1 costs 0 real_cost = 156.054 Bilab-ENABLE_TS5-scwrl costs 0 real_cost = 272.037 Bilab-ENABLE_TS5 costs 0 real_cost = 271.983 Bilab-ENABLE_TS4-scwrl costs 0 real_cost = 278.747 Bilab-ENABLE_TS4 costs 0 real_cost = 278.692 Bilab-ENABLE_TS3-scwrl costs 0 real_cost = 269.412 Bilab-ENABLE_TS3 costs 0 real_cost = 269.357 Bilab-ENABLE_TS2-scwrl costs 0 real_cost = 283.452 Bilab-ENABLE_TS2 costs 0 real_cost = 283.4 Bilab-ENABLE_TS1-scwrl costs 0 real_cost = 280.238 Bilab-ENABLE_TS1 costs 0 real_cost = 280.189 BayesHH_TS1-scwrl costs 0 real_cost = 230.019 BayesHH_TS1 costs 0 real_cost = 246.373 ABIpro_TS5-scwrl costs 0 real_cost = 152.773 ABIpro_TS5 costs 0 real_cost = 153.018 ABIpro_TS4-scwrl costs 0 real_cost = 176.706 ABIpro_TS4 costs 0 real_cost = 176.706 ABIpro_TS3-scwrl costs 0 real_cost = 178.508 ABIpro_TS3 costs 0 real_cost = 180.121 ABIpro_TS2-scwrl costs 0 real_cost = 177.39 ABIpro_TS2 costs 0 real_cost = 177.436 ABIpro_TS1-scwrl costs 0 real_cost = 133.64 ABIpro_TS1 costs 0 real_cost = 133.64 3Dpro_TS5-scwrl costs 0 real_cost = 133.64 3Dpro_TS5 costs 0 real_cost = 133.64 3Dpro_TS4-scwrl costs 0 real_cost = 313.433 3Dpro_TS4 costs 0 real_cost = 315.922 3Dpro_TS3-scwrl costs 0 real_cost = 255.896 3Dpro_TS3 costs 0 real_cost = 267.6 3Dpro_TS2-scwrl costs 0 real_cost = 230.753 3Dpro_TS2 costs 0 real_cost = 234.434 3Dpro_TS1-scwrl costs 0 real_cost = 242.622 3Dpro_TS1 costs 0 real_cost = 241.49 3D-JIGSAW_TS5-scwrl costs 0 real_cost = 253.287 3D-JIGSAW_TS5 costs 0 real_cost = 254.631 3D-JIGSAW_TS4-scwrl costs 0 real_cost = 226.219 3D-JIGSAW_TS4 costs 0 real_cost = 233.752 3D-JIGSAW_TS3-scwrl costs 0 real_cost = 226.92 3D-JIGSAW_TS3 costs 0 real_cost = 231.023 3D-JIGSAW_TS2-scwrl costs 0 real_cost = 255.891 3D-JIGSAW_TS2 costs 0 real_cost = 237.69 3D-JIGSAW_TS1-scwrl costs 0 real_cost = 232.669 3D-JIGSAW_TS1 costs 0 real_cost = 233.023 3D-JIGSAW_RECOM_TS5-scwrl costs 0 real_cost = 263.225 3D-JIGSAW_RECOM_TS5 costs 0 real_cost = 264.67 3D-JIGSAW_RECOM_TS4-scwrl costs 0 real_cost = 253.282 3D-JIGSAW_RECOM_TS4 costs 0 real_cost = 254.652 3D-JIGSAW_RECOM_TS3-scwrl costs 0 real_cost = 235.478 3D-JIGSAW_RECOM_TS3 costs 0 real_cost = 233.825 3D-JIGSAW_RECOM_TS2-scwrl costs 0 real_cost = 227.838 3D-JIGSAW_RECOM_TS2 costs 0 real_cost = 227.118 3D-JIGSAW_RECOM_TS1-scwrl costs 0 real_cost = 215.455 3D-JIGSAW_RECOM_TS1 costs 0 real_cost = 222.283 3D-JIGSAW_POPULUS_TS5-scwrl costs 0 real_cost = 212.954 3D-JIGSAW_POPULUS_TS5 costs 0 real_cost = 345.401 3D-JIGSAW_POPULUS_TS4-scwrl costs 0 real_cost = 213.944 3D-JIGSAW_POPULUS_TS4 costs 0 real_cost = 214.003 3D-JIGSAW_POPULUS_TS3-scwrl costs 0 real_cost = 191.892 3D-JIGSAW_POPULUS_TS3 costs 0 real_cost = 191.892 3D-JIGSAW_POPULUS_TS2-scwrl costs 0 real_cost = 226.348 3D-JIGSAW_POPULUS_TS2 costs 0 real_cost = 224.844 3D-JIGSAW_POPULUS_TS1-scwrl costs 0 real_cost = 200.799 3D-JIGSAW_POPULUS_TS1 costs 0 real_cost = 200.295 T0299.try9-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 237.625 T0299.try9-opt2.pdb.gz costs 0 real_cost = 240.876 T0299.try9-opt2.gromacs0.pdb.gz costs 0 real_cost = 249.334 T0299.try9-opt1.pdb.gz costs 0 real_cost = 243.416 T0299.try9-opt1-scwrl.pdb.gz costs 0 real_cost = 244.753 T0299.try8-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 166.222 T0299.try8-opt2.pdb.gz costs 0 real_cost = 165.938 T0299.try8-opt2.gromacs0.pdb.gz costs 0 real_cost = 159.533 T0299.try8-opt1.pdb.gz costs 0 real_cost = 167.228 T0299.try8-opt1-scwrl.pdb.gz costs 0 real_cost = 166.676 T0299.try7-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 182.33 T0299.try7-opt2.pdb.gz costs 0 real_cost = 187.499 T0299.try7-opt2.gromacs0.pdb.gz costs 0 real_cost = 182.357 T0299.try7-opt1.pdb.gz costs 0 real_cost = 182.595 T0299.try7-opt1-scwrl.pdb.gz costs 0 real_cost = 178.592 T0299.try6-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 254.3 T0299.try6-opt2.pdb.gz costs 0 real_cost = 255.739 T0299.try6-opt2.gromacs0.pdb.gz costs 0 real_cost = 250.085 T0299.try6-opt1.pdb.gz costs 0 real_cost = 251.802 T0299.try6-opt1-scwrl.pdb.gz costs 0 real_cost = 249.937 T0299.try5-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 198.302 T0299.try5-opt2.pdb.gz costs 0 real_cost = 197.26 T0299.try5-opt2.gromacs0.pdb.gz costs 0 real_cost = 196.64 T0299.try5-opt1.pdb.gz costs 0 real_cost = 201.659 T0299.try5-opt1-scwrl.pdb.gz costs 0 real_cost = 201.256 T0299.try4-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 250.915 T0299.try4-opt2.pdb.gz costs 0 real_cost = 253.042 T0299.try4-opt2.gromacs0.pdb.gz costs 0 real_cost = 253.422 T0299.try4-opt1.pdb.gz costs 0 real_cost = 252.876 T0299.try4-opt1-scwrl.pdb.gz costs 0 real_cost = 253.181 T0299.try3-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 259.32 T0299.try3-opt2.pdb.gz costs 0 real_cost = 259.218 T0299.try3-opt2.gromacs0.pdb.gz costs 0 real_cost = 260.009 T0299.try3-opt1.pdb.gz costs 0 real_cost = 257.746 T0299.try3-opt1-scwrl.pdb.gz costs 0 real_cost = 258.578 T0299.try24-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 182.607 T0299.try24-opt2.pdb.gz costs 0 real_cost = 186.461 T0299.try24-opt2.gromacs0.pdb.gz costs 0 real_cost = 181.954 T0299.try24-opt1.pdb.gz costs 0 real_cost = 187.108 T0299.try24-opt1-scwrl.pdb.gz costs 0 real_cost = 181.179 T0299.try23-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 155.58 T0299.try23-opt2.pdb.gz costs 0 real_cost = 156.862 T0299.try23-opt2.gromacs0.pdb.gz costs 0 real_cost = 155.876 T0299.try23-opt1.pdb.gz costs 0 real_cost = 154.393 T0299.try23-opt1-scwrl.pdb.gz costs 0 real_cost = 156.66 T0299.try22-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 222.199 T0299.try22-opt2.pdb.gz costs 0 real_cost = 221.695 T0299.try22-opt2.gromacs0.pdb.gz costs 0 real_cost = 221.799 T0299.try22-opt1.pdb.gz costs 0 real_cost = 226.998 T0299.try22-opt1-scwrl.pdb.gz costs 0 real_cost = 223.741 T0299.try21-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 226.488 T0299.try21-opt2.pdb.gz costs 0 real_cost = 228.667 T0299.try21-opt2.gromacs0.pdb.gz costs 0 real_cost = 231.773 T0299.try21-opt1.pdb.gz costs 0 real_cost = 226.081 T0299.try21-opt1-scwrl.pdb.gz costs 0 real_cost = 225.054 T0299.try20-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 224.935 T0299.try20-opt2.pdb.gz costs 0 real_cost = 225.749 T0299.try20-opt2.gromacs0.pdb.gz costs 0 real_cost = 224.703 T0299.try20-opt1.pdb.gz costs 0 real_cost = 228.678 T0299.try20-opt1-scwrl.pdb.gz costs 0 real_cost = 226.249 T0299.try2-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 171.808 T0299.try2-opt2.pdb.gz costs 0 real_cost = 173.596 T0299.try2-opt2.gromacs0.pdb.gz costs 0 real_cost = 169.198 T0299.try2-opt1.pdb.gz costs 0 real_cost = 173.034 T0299.try2-opt1-scwrl.pdb.gz costs 0 real_cost = 171.517 T0299.try19-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 225.976 T0299.try19-opt2.pdb.gz costs 0 real_cost = 227.493 T0299.try19-opt2.gromacs0.pdb.gz costs 0 real_cost = 230.233 T0299.try19-opt1.pdb.gz costs 0 real_cost = 225.484 T0299.try19-opt1-scwrl.pdb.gz costs 0 real_cost = 224.375 T0299.try18-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 206.427 T0299.try18-opt2.pdb.gz costs 0 real_cost = 209.129 T0299.try18-opt2.gromacs0.pdb.gz costs 0 real_cost = 200.406 T0299.try18-opt1.pdb.gz costs 0 real_cost = 209.663 T0299.try18-opt1-scwrl.pdb.gz costs 0 real_cost = 210.286 T0299.try17-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 211.794 T0299.try17-opt2.pdb.gz costs 0 real_cost = 211.445 T0299.try17-opt2.gromacs0.pdb.gz costs 0 real_cost = 205.056 T0299.try17-opt1.pdb.gz costs 0 real_cost = 216.864 T0299.try17-opt1-scwrl.pdb.gz costs 0 real_cost = 217.12 T0299.try16-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 232.32 T0299.try16-opt2.pdb.gz costs 0 real_cost = 233.807 T0299.try16-opt2.gromacs0.pdb.gz costs 0 real_cost = 232.196 T0299.try16-opt1.pdb.gz costs 0 real_cost = 243.384 T0299.try16-opt1-scwrl.pdb.gz costs 0 real_cost = 238.023 T0299.try15-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 167.162 T0299.try15-opt2.pdb.gz costs 0 real_cost = 167.755 T0299.try15-opt2.gromacs0.pdb.gz costs 0 real_cost = 162.57 T0299.try15-opt1.pdb.gz costs 0 real_cost = 171.673 T0299.try15-opt1-scwrl.pdb.gz costs 0 real_cost = 169.378 T0299.try14-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 154.142 T0299.try14-opt2.pdb.gz costs 0 real_cost = 156.387 T0299.try14-opt2.gromacs0.pdb.gz costs 0 real_cost = 152.112 T0299.try14-opt1.pdb.gz costs 0 real_cost = 158.243 T0299.try14-opt1-scwrl.pdb.gz costs 0 real_cost = 158.17 T0299.try13-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 201.964 T0299.try13-opt2.pdb.gz costs 0 real_cost = 202.19 T0299.try13-opt2.gromacs0.pdb.gz costs 0 real_cost = 205.72 T0299.try13-opt1.pdb.gz costs 0 real_cost = 203.261 T0299.try13-opt1-scwrl.pdb.gz costs 0 real_cost = 205.84 T0299.try12-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 169.453 T0299.try12-opt2.pdb.gz costs 0 real_cost = 168.975 T0299.try12-opt2.gromacs0.pdb.gz costs 0 real_cost = 168.199 T0299.try12-opt1.pdb.gz costs 0 real_cost = 172.02 T0299.try12-opt1-scwrl.pdb.gz costs 0 real_cost = 170.904 T0299.try11-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 194.913 T0299.try11-opt2.pdb.gz costs 0 real_cost = 196.297 T0299.try11-opt2.gromacs0.pdb.gz costs 0 real_cost = 196.808 T0299.try11-opt1.pdb.gz costs 0 real_cost = 196.745 T0299.try11-opt1-scwrl.pdb.gz costs 0 real_cost = 196.688 T0299.try10-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 194.756 T0299.try10-opt2.pdb.gz costs 0 real_cost = 196.163 T0299.try10-opt2.gromacs0.pdb.gz costs 0 real_cost = 198.304 T0299.try10-opt1.pdb.gz costs 0 real_cost = 196.853 T0299.try10-opt1-scwrl.pdb.gz costs 0 real_cost = 196.931 T0299.try1-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 180.527 T0299.try1-opt2.pdb.gz costs 0 real_cost = 178.517 T0299.try1-opt2.gromacs0.pdb.gz costs 0 real_cost = 185.362 T0299.try1-opt1.pdb.gz costs 0 real_cost = 176.01 T0299.try1-opt1-scwrl.pdb.gz costs 0 real_cost = 175.829 ../model5.ts-submitted costs 0 real_cost = 252.341 ../model4.ts-submitted costs 0 real_cost = 228.661 ../model3.ts-submitted costs 0 real_cost = 156.796 ../model2.ts-submitted costs 0 real_cost = 221.719 ../model1.ts-submitted costs 0 real_cost = 186.435 align5 costs 0 real_cost = 324.389 align4 costs 0 real_cost = 343.357 align3 costs 0 real_cost = 250.394 align2 costs 0 real_cost = 331.519 align1 costs 0 real_cost = 269.198 T0299.try1-opt2.pdb costs 0 real_cost = 178.517 model5-scwrl costs 0 real_cost = 249.649 model5.ts-submitted costs 0 real_cost = 252.341 model4-scwrl costs 0 real_cost = 227.223 model4.ts-submitted costs 0 real_cost = 228.661 model3-scwrl costs 0 real_cost = 160.827 model3.ts-submitted costs 0 real_cost = 156.796 model2-scwrl costs 0 real_cost = 218.148 model2.ts-submitted costs 0 real_cost = 221.719 model1-scwrl costs 0 real_cost = 183.097 model1.ts-submitted costs 0 real_cost = 186.435 T0299_1.real.pdb costs 0 real_cost = -742.8 # command:CPU_time= 136.279 sec, elapsed time= 510.017 sec) # command:rm -f sort.tmp /projects/compbio/bin/sorttbl real_cost < decoys/evaluate_1.rdb > sort.tmp mv -f sort.tmp decoys/evaluate_1.rdb mv -f decoys/evaluate_1.pretty decoys/evaluate_1.pretty.old mv: cannot stat `decoys/evaluate_1.pretty': No such file or directory make: [decoys/evaluate_1.pretty] Error 1 (ignored) /projects/compbio/experiments/protein-predict/casp7/scripts/prettyscore -terse -targpfx -decpoint < decoys/evaluate_1.rdb > decoys/evaluate_1.pretty make: *** No rule to make target `decoys/evaluate._2.rdb'. rm -f decoys/evaluate_2.rdb sed -e s/XXX0000/T0299/ -e s/START_COL/1/ \ -e s/REAL_PDB/2hiyA/ \ -e s/_domain/_2/ \ -e s/read-pdb/read-pdb+servers/ \ -e 's/ReadConformPDBids/# ReadConformPDBids/' \ -e 's/# ReadConformPDB /ReadConformPDB /' \ -e 's/include COSTFCN.costfcn//' \ -e s/.COSTFCN// \ < /projects/compbio/experiments/protein-predict/casp7/starter-directory/evaluate.under \ | nice -2 /projects/compbio/programs/undertaker/undertaker # command:# Seed set to 1174589172 # 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= 4.5983 sec, elapsed time= 4.66251 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= 4.66529 sec, elapsed time= 4.74157 sec) # command:# Prefix for input files set to # command:# Making conformation for sequence T0299 numbered 1 through 180 Created new target T0299 from T0299.a2m # command:# command:# No conformations to remove in PopConform # command:# cleared Id set # command:# command:# ReadConformPDB reading from PDB file T0299_2.real.pdb looking for model 1 Skipped atom 1033, because occupancy 5.0000000e-01 <= existing 0.500 in T0299_2.real.pdb Skipped atom 1035, because occupancy 0.500 <= existing 0.500 in T0299_2.real.pdb Skipped atom 1037, because occupancy 0.500 <= existing 0.500 in T0299_2.real.pdb Skipped atom 1039, because occupancy 0.500 <= existing 0.500 in T0299_2.real.pdb Skipped atom 1041, because occupancy 0.500 <= existing 0.500 in T0299_2.real.pdb Skipped atom 1043, because occupancy 0.500 <= existing 0.500 in T0299_2.real.pdb Skipped atom 1045, because occupancy 0.500 <= existing 0.500 in T0299_2.real.pdb # WARNING: incomplete conformation T0299 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= 6.52801 sec, elapsed time= 6.61841 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 171 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -26.1236 # GDT_score(maxd=8,maxw=2.9)= -24.9106 # GDT_score(maxd=8,maxw=3.2)= -23.8732 # GDT_score(maxd=8,maxw=3.5)= -22.9826 # GDT_score(maxd=10,maxw=3.8)= -25.0186 # GDT_score(maxd=10,maxw=4)= -24.4418 # GDT_score(maxd=10,maxw=4.2)= -23.9099 # GDT_score(maxd=12,maxw=4.3)= -26.2371 # GDT_score(maxd=12,maxw=4.5)= -25.6516 # GDT_score(maxd=12,maxw=4.7)= -25.058 # GDT_score(maxd=14,maxw=5.2)= -25.969 # GDT_score(maxd=14,maxw=5.5)= -25.1041 # command:# Prefix for output files set to # command:superimposing iter= 0 total_weight= 1113.000 rmsd (weighted)= 14.511 (unweighted)= 37.088 superimposing iter= 1 total_weight= 1960.744 rmsd (weighted)= 8.828 (unweighted)= 37.225 superimposing iter= 2 total_weight= 912.014 rmsd (weighted)= 7.970 (unweighted)= 37.583 superimposing iter= 3 total_weight= 820.732 rmsd (weighted)= 7.571 (unweighted)= 37.892 superimposing iter= 4 total_weight= 841.365 rmsd (weighted)= 7.094 (unweighted)= 38.136 superimposing iter= 5 total_weight= 864.304 rmsd (weighted)= 6.559 (unweighted)= 38.303 # command:# Prefix for output files set to decoys/ # command:# request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1868915452.pdb -s /var/tmp/to_scwrl_1868915452.seq -o /var/tmp/from_scwrl_1868915452.pdb > /var/tmp/scwrl_1868915452.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1868915452.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 163 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -22.7528 # GDT_score(maxd=8,maxw=2.9)= -22.5675 # GDT_score(maxd=8,maxw=3.2)= -21.3998 # GDT_score(maxd=8,maxw=3.5)= -20.4323 # GDT_score(maxd=10,maxw=3.8)= -22.3213 # GDT_score(maxd=10,maxw=4)= -21.7108 # GDT_score(maxd=10,maxw=4.2)= -21.1508 # GDT_score(maxd=12,maxw=4.3)= -23.2344 # GDT_score(maxd=12,maxw=4.5)= -22.6349 # GDT_score(maxd=12,maxw=4.7)= -22.0542 # GDT_score(maxd=14,maxw=5.2)= -22.9675 # GDT_score(maxd=14,maxw=5.5)= -22.145 # command:# request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_857259991.pdb -s /var/tmp/to_scwrl_857259991.seq -o /var/tmp/from_scwrl_857259991.pdb > /var/tmp/scwrl_857259991.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_857259991.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 163 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -20.5056 # GDT_score(maxd=8,maxw=2.9)= -17.4997 # GDT_score(maxd=8,maxw=3.2)= -17.0178 # GDT_score(maxd=8,maxw=3.5)= -16.6185 # GDT_score(maxd=10,maxw=3.8)= -19.365 # GDT_score(maxd=10,maxw=4)= -19.0148 # GDT_score(maxd=10,maxw=4.2)= -18.6007 # GDT_score(maxd=12,maxw=4.3)= -21.4586 # GDT_score(maxd=12,maxw=4.5)= -20.9544 # GDT_score(maxd=12,maxw=4.7)= -20.475 # GDT_score(maxd=14,maxw=5.2)= -21.9589 # GDT_score(maxd=14,maxw=5.5)= -21.2197 # command:# request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_889460596.pdb -s /var/tmp/to_scwrl_889460596.seq -o /var/tmp/from_scwrl_889460596.pdb > /var/tmp/scwrl_889460596.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_889460596.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 162 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -18.5393 # GDT_score(maxd=8,maxw=2.9)= -16.3538 # GDT_score(maxd=8,maxw=3.2)= -15.7243 # GDT_score(maxd=8,maxw=3.5)= -15.147 # GDT_score(maxd=10,maxw=3.8)= -17.4932 # GDT_score(maxd=10,maxw=4)= -17.068 # GDT_score(maxd=10,maxw=4.2)= -16.6833 # GDT_score(maxd=12,maxw=4.3)= -19.4186 # GDT_score(maxd=12,maxw=4.5)= -18.9551 # GDT_score(maxd=12,maxw=4.7)= -18.531 # GDT_score(maxd=14,maxw=5.2)= -20.0627 # GDT_score(maxd=14,maxw=5.5)= -19.455 # command:# request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1264195696.pdb -s /var/tmp/to_scwrl_1264195696.seq -o /var/tmp/from_scwrl_1264195696.pdb > /var/tmp/scwrl_1264195696.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1264195696.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 138 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -20.2247 # GDT_score(maxd=8,maxw=2.9)= -18.17 # GDT_score(maxd=8,maxw=3.2)= -17.419 # GDT_score(maxd=8,maxw=3.5)= -16.7118 # GDT_score(maxd=10,maxw=3.8)= -19.2912 # GDT_score(maxd=10,maxw=4)= -18.7761 # GDT_score(maxd=10,maxw=4.2)= -18.31 # GDT_score(maxd=12,maxw=4.3)= -21.1922 # GDT_score(maxd=12,maxw=4.5)= -20.6498 # GDT_score(maxd=12,maxw=4.7)= -20.1355 # GDT_score(maxd=14,maxw=5.2)= -21.8623 # GDT_score(maxd=14,maxw=5.5)= -21.0423 # command:# request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1563417372.pdb -s /var/tmp/to_scwrl_1563417372.seq -o /var/tmp/from_scwrl_1563417372.pdb > /var/tmp/scwrl_1563417372.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1563417372.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 T0299.try1-opt2.pdb looking for model 1 # Found a chain break before 166 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -20.5056 # GDT_score(maxd=8,maxw=2.9)= -17.8899 # GDT_score(maxd=8,maxw=3.2)= -16.9501 # GDT_score(maxd=8,maxw=3.5)= -16.045 # GDT_score(maxd=10,maxw=3.8)= -18.8898 # GDT_score(maxd=10,maxw=4)= -18.2262 # GDT_score(maxd=10,maxw=4.2)= -17.6258 # GDT_score(maxd=12,maxw=4.3)= -20.4711 # GDT_score(maxd=12,maxw=4.5)= -19.8109 # GDT_score(maxd=12,maxw=4.7)= -19.207 # GDT_score(maxd=14,maxw=5.2)= -20.7344 # GDT_score(maxd=14,maxw=5.5)= -19.9099 # command:# Prefix for output files set to # command:superimposing iter= 0 total_weight= 1113.000 rmsd (weighted)= 13.384 (unweighted)= 40.918 superimposing iter= 1 total_weight= 1614.616 rmsd (weighted)= 8.856 (unweighted)= 42.066 superimposing iter= 2 total_weight= 1077.176 rmsd (weighted)= 7.292 (unweighted)= 42.678 superimposing iter= 3 total_weight= 904.735 rmsd (weighted)= 6.611 (unweighted)= 42.954 superimposing iter= 4 total_weight= 800.596 rmsd (weighted)= 6.383 (unweighted)= 43.089 superimposing iter= 5 total_weight= 770.616 rmsd (weighted)= 6.287 (unweighted)= 43.151 # command:# Prefix for output files set to decoys/ # command:# Prefix for input files set to # command:# ReadConformPDB reading from PDB file T0299.undertaker-align.pdb looking for model 1 WARNING: atoms too close: (T0299)N88.C and (T0299)L97.C only 0.000 apart, marking (T0299)L97.C as missing WARNING: atoms too close: (T0299)L89.N and (T0299)A98.N only 0.000 apart, marking (T0299)L89.N as missing WARNING: atoms too close: (T0299)L89.CA and (T0299)A98.CA only 0.000 apart, marking (T0299)L89.CA as missing WARNING: atoms too close: (T0299)A149.C and (T0299)Y153.C only 0.000 apart, marking (T0299)Y153.C as missing WARNING: atoms too close: (T0299)Y150.N and (T0299)L154.N only 0.000 apart, marking (T0299)Y150.N as missing WARNING: atoms too close: (T0299)Y150.CA and (T0299)L154.CA only 0.000 apart, marking (T0299)Y150.CA as missing # WARNING: incomplete conformation T0299 can't currently be optimized by undertaker # command:# naming current conformation align1 # command:# fraction of real conformation used = 0.853933 # GDT_score = -15.7303 # GDT_score(maxd=8,maxw=2.9)= -14.5264 # GDT_score(maxd=8,maxw=3.2)= -14.2179 # GDT_score(maxd=8,maxw=3.5)= -13.9623 # GDT_score(maxd=10,maxw=3.8)= -15.3982 # GDT_score(maxd=10,maxw=4)= -15.19 # GDT_score(maxd=10,maxw=4.2)= -15.0018 # GDT_score(maxd=12,maxw=4.3)= -16.4183 # GDT_score(maxd=12,maxw=4.5)= -16.188 # GDT_score(maxd=12,maxw=4.7)= -15.9773 # GDT_score(maxd=14,maxw=5.2)= -16.8129 # GDT_score(maxd=14,maxw=5.5)= -16.4474 # command:# ReadConformPDB reading from PDB file T0299.undertaker-align.pdb looking for model 2 WARNING: atoms too close: (T0299)E61.C and (T0299)T62.C only 0.000 apart, marking (T0299)T62.C as missing WARNING: atoms too close: (T0299)T62.N and (T0299)F63.N only 0.000 apart, marking (T0299)T62.N as missing WARNING: atoms too close: (T0299)T62.CA and (T0299)F63.CA only 0.000 apart, marking (T0299)T62.CA as missing WARNING: atoms too close: (T0299)E80.C and (T0299)A84.C only 0.000 apart, marking (T0299)A84.C as missing WARNING: atoms too close: (T0299)D81.N and (T0299)E85.N only 0.000 apart, marking (T0299)D81.N as missing WARNING: atoms too close: (T0299)D81.CA and (T0299)E85.CA only 0.000 apart, marking (T0299)D81.CA as missing WARNING: atoms too close: (T0299)F159.C and (T0299)H162.C only 0.000 apart, marking (T0299)H162.C as missing WARNING: atoms too close: (T0299)Y160.N and (T0299)I163.N only 0.000 apart, marking (T0299)Y160.N as missing WARNING: atoms too close: (T0299)Y160.CA and (T0299)I163.CA only 0.000 apart, marking (T0299)Y160.CA as missing # WARNING: incomplete conformation T0299 can't currently be optimized by undertaker # command:# naming current conformation align2 # command:# fraction of real conformation used = 0.876404 # GDT_score = -19.9438 # GDT_score(maxd=8,maxw=2.9)= -18.6171 # GDT_score(maxd=8,maxw=3.2)= -18.1358 # GDT_score(maxd=8,maxw=3.5)= -17.7117 # GDT_score(maxd=10,maxw=3.8)= -19.1927 # GDT_score(maxd=10,maxw=4)= -18.8511 # GDT_score(maxd=10,maxw=4.2)= -18.524 # GDT_score(maxd=12,maxw=4.3)= -20.2319 # GDT_score(maxd=12,maxw=4.5)= -19.856 # GDT_score(maxd=12,maxw=4.7)= -19.4892 # GDT_score(maxd=14,maxw=5.2)= -20.3608 # GDT_score(maxd=14,maxw=5.5)= -19.8018 # command:# ReadConformPDB reading from PDB file T0299.undertaker-align.pdb looking for model 3 WARNING: atoms too close: (T0299)L33.C and (T0299)V36.C only 0.000 apart, marking (T0299)V36.C as missing WARNING: atoms too close: (T0299)E34.N and (T0299)E37.N only 0.000 apart, marking (T0299)E34.N as missing WARNING: atoms too close: (T0299)E34.CA and (T0299)E37.CA only 0.000 apart, marking (T0299)E34.CA as missing WARNING: atoms too close: (T0299)N44.C and (T0299)T48.C only 0.000 apart, marking (T0299)T48.C as missing WARNING: atoms too close: (T0299)I45.N and (T0299)S49.N only 0.000 apart, marking (T0299)I45.N as missing WARNING: atoms too close: (T0299)I45.CA and (T0299)S49.CA only 0.000 apart, marking (T0299)I45.CA as missing WARNING: atoms too close: (T0299)P69.C and (T0299)F70.C only 0.000 apart, marking (T0299)F70.C as missing WARNING: atoms too close: (T0299)F70.N and (T0299)I71.N only 0.000 apart, marking (T0299)F70.N as missing WARNING: atoms too close: (T0299)F70.CA and (T0299)I71.CA only 0.000 apart, marking (T0299)F70.CA as missing WARNING: atoms too close: (T0299)Q113.C and (T0299)V114.C only 0.000 apart, marking (T0299)V114.C as missing WARNING: atoms too close: (T0299)V114.N and (T0299)I115.N only 0.000 apart, marking (T0299)V114.N as missing WARNING: atoms too close: (T0299)V114.CA and (T0299)I115.CA only 0.000 apart, marking (T0299)V114.CA as missing # WARNING: incomplete conformation T0299 can't currently be optimized by undertaker # command:# naming current conformation align3 # command:# ReadConformPDB reading from PDB file T0299.undertaker-align.pdb looking for model 4 WARNING: atoms too close: (T0299)R95.C and (T0299)F102.C only 0.000 apart, marking (T0299)F102.C as missing WARNING: atoms too close: (T0299)D96.N and (T0299)L103.N only 0.000 apart, marking (T0299)D96.N as missing WARNING: atoms too close: (T0299)D96.CA and (T0299)L103.CA only 0.000 apart, marking (T0299)D96.CA as missing # WARNING: incomplete conformation T0299 can't currently be optimized by undertaker # command:# naming current conformation align4 # command:# ReadConformPDB reading from PDB file T0299.undertaker-align.pdb looking for model 5 WARNING: atoms too close: (T0299)N17.C and (T0299)I40.C only 0.000 apart, marking (T0299)I40.C as missing WARNING: atoms too close: (T0299)K18.N and (T0299)N41.N only 0.000 apart, marking (T0299)K18.N as missing WARNING: atoms too close: (T0299)K18.CA and (T0299)N41.CA only 0.000 apart, marking (T0299)K18.CA as missing WARNING: atoms too close: (T0299)Y68.C and (T0299)D81.C only 0.000 apart, marking (T0299)D81.C as missing WARNING: atoms too close: (T0299)P69.N and (T0299)F82.N only 0.000 apart, marking (T0299)P69.N as missing WARNING: atoms too close: (T0299)P69.CA and (T0299)F82.CA only 0.000 apart, marking (T0299)P69.CA as missing # WARNING: incomplete conformation T0299 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 171 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model2.ts-submitted looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model3.ts-submitted looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model4.ts-submitted looking for model 1 # Found a chain break before 162 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model5.ts-submitted looking for model 1 # Found a chain break before 138 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try1-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 162 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try1-opt1.pdb.gz looking for model 1 # Found a chain break before 162 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try1-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try1-opt2.pdb.gz looking for model 1 # Found a chain break before 166 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try1-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 166 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try10-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 162 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try10-opt1.pdb.gz looking for model 1 # Found a chain break before 162 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try10-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 160 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try10-opt2.pdb.gz looking for model 1 # Found a chain break before 156 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try10-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 156 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try11-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 174 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try11-opt1.pdb.gz looking for model 1 # Found a chain break before 174 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try11-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try11-opt2.pdb.gz looking for model 1 # Found a chain break before 174 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try11-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 174 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try12-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try12-opt1.pdb.gz looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try12-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try12-opt2.pdb.gz looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try12-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try13-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 174 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try13-opt1.pdb.gz looking for model 1 # Found a chain break before 174 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try13-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 155 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try13-opt2.pdb.gz looking for model 1 # Found a chain break before 174 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try13-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 174 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try14-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try14-opt1.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try14-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 164 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try14-opt2.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try14-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try15-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try15-opt1.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try15-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try15-opt2.pdb.gz looking for model 1 # Found a chain break before 161 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try15-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 161 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try16-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try16-opt1.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try16-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try16-opt2.pdb.gz looking for model 1 # Found a chain break before 178 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try16-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 178 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try17-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 167 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try17-opt1.pdb.gz looking for model 1 # Found a chain break before 167 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try17-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try17-opt2.pdb.gz looking for model 1 # Found a chain break before 167 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try17-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 167 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try18-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 159 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try18-opt1.pdb.gz looking for model 1 # Found a chain break before 159 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try18-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 167 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try18-opt2.pdb.gz looking for model 1 # Found a chain break before 169 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try18-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 169 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try19-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 162 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try19-opt1.pdb.gz looking for model 1 # Found a chain break before 162 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try19-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try19-opt2.pdb.gz looking for model 1 # Found a chain break before 162 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try19-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 162 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try2-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 170 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try2-opt1.pdb.gz looking for model 1 # Found a chain break before 170 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try2-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try2-opt2.pdb.gz looking for model 1 # Found a chain break before 170 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try2-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 170 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try20-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try20-opt1.pdb.gz looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try20-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 125 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try20-opt2.pdb.gz looking for model 1 # Found a chain break before 166 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try20-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 166 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try21-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 162 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try21-opt1.pdb.gz looking for model 1 # Found a chain break before 162 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try21-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try21-opt2.pdb.gz looking for model 1 # Found a chain break before 162 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try21-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 162 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try22-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try22-opt1.pdb.gz looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try22-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 125 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try22-opt2.pdb.gz looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try22-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try23-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try23-opt1.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try23-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 164 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try23-opt2.pdb.gz looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try23-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try24-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 171 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try24-opt1.pdb.gz looking for model 1 # Found a chain break before 171 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try24-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 171 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try24-opt2.pdb.gz looking for model 1 # Found a chain break before 171 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try24-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 171 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try3-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 152 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try3-opt1.pdb.gz looking for model 1 # Found a chain break before 152 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try3-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try3-opt2.pdb.gz looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try3-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try4-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 159 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try4-opt1.pdb.gz looking for model 1 # Found a chain break before 159 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try4-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 160 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try4-opt2.pdb.gz looking for model 1 # Found a chain break before 138 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try4-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 138 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try5-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 156 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try5-opt1.pdb.gz looking for model 1 # Found a chain break before 156 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try5-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 156 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try5-opt2.pdb.gz looking for model 1 # Found a chain break before 166 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try5-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 166 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try6-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 138 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try6-opt1.pdb.gz looking for model 1 # Found a chain break before 138 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try6-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 160 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try6-opt2.pdb.gz looking for model 1 # Found a chain break before 138 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try6-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 138 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try7-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 171 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try7-opt1.pdb.gz looking for model 1 # Found a chain break before 171 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try7-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try7-opt2.pdb.gz looking for model 1 # Found a chain break before 171 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try7-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 171 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try8-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 135 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try8-opt1.pdb.gz looking for model 1 # Found a chain break before 135 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try8-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 165 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try8-opt2.pdb.gz looking for model 1 # Found a chain break before 172 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try8-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 172 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try9-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 160 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try9-opt1.pdb.gz looking for model 1 # Found a chain break before 160 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try9-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try9-opt2.pdb.gz looking for model 1 # Found a chain break before 160 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try9-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 160 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0299 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_2105089761.pdb -s /var/tmp/to_scwrl_2105089761.seq -o /var/tmp/from_scwrl_2105089761.pdb > /var/tmp/scwrl_2105089761.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2105089761.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 T0299 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_2100177398.pdb -s /var/tmp/to_scwrl_2100177398.seq -o /var/tmp/from_scwrl_2100177398.pdb > /var/tmp/scwrl_2100177398.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2100177398.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 # Found a chain break before 170 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1101734792.pdb -s /var/tmp/to_scwrl_1101734792.seq -o /var/tmp/from_scwrl_1101734792.pdb > /var/tmp/scwrl_1101734792.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1101734792.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 T0299 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1330290485.pdb -s /var/tmp/to_scwrl_1330290485.seq -o /var/tmp/from_scwrl_1330290485.pdb > /var/tmp/scwrl_1330290485.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1330290485.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 T0299 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_229951209.pdb -s /var/tmp/to_scwrl_229951209.seq -o /var/tmp/from_scwrl_229951209.pdb > /var/tmp/scwrl_229951209.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_229951209.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 # Found a chain break before 170 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_RECOM_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_520987031.pdb -s /var/tmp/to_scwrl_520987031.seq -o /var/tmp/from_scwrl_520987031.pdb > /var/tmp/scwrl_520987031.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_520987031.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 T0299 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_452994835.pdb -s /var/tmp/to_scwrl_452994835.seq -o /var/tmp/from_scwrl_452994835.pdb > /var/tmp/scwrl_452994835.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_452994835.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 T0299 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_281015550.pdb -s /var/tmp/to_scwrl_281015550.seq -o /var/tmp/from_scwrl_281015550.pdb > /var/tmp/scwrl_281015550.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_281015550.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 T0299 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_837623838.pdb -s /var/tmp/to_scwrl_837623838.seq -o /var/tmp/from_scwrl_837623838.pdb > /var/tmp/scwrl_837623838.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_837623838.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 T0299 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_305070000.pdb -s /var/tmp/to_scwrl_305070000.seq -o /var/tmp/from_scwrl_305070000.pdb > /var/tmp/scwrl_305070000.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_305070000.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 T0299 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_274849460.pdb -s /var/tmp/to_scwrl_274849460.seq -o /var/tmp/from_scwrl_274849460.pdb > /var/tmp/scwrl_274849460.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_274849460.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 T0299 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_406225424.pdb -s /var/tmp/to_scwrl_406225424.seq -o /var/tmp/from_scwrl_406225424.pdb > /var/tmp/scwrl_406225424.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_406225424.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 T0299 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1748136557.pdb -s /var/tmp/to_scwrl_1748136557.seq -o /var/tmp/from_scwrl_1748136557.pdb > /var/tmp/scwrl_1748136557.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1748136557.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 T0299 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_984298947.pdb -s /var/tmp/to_scwrl_984298947.seq -o /var/tmp/from_scwrl_984298947.pdb > /var/tmp/scwrl_984298947.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_984298947.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 T0299 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1422377382.pdb -s /var/tmp/to_scwrl_1422377382.seq -o /var/tmp/from_scwrl_1422377382.pdb > /var/tmp/scwrl_1422377382.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1422377382.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 172 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_78934096.pdb -s /var/tmp/to_scwrl_78934096.seq -o /var/tmp/from_scwrl_78934096.pdb > /var/tmp/scwrl_78934096.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_78934096.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 175 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1501239512.pdb -s /var/tmp/to_scwrl_1501239512.seq -o /var/tmp/from_scwrl_1501239512.pdb > /var/tmp/scwrl_1501239512.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1501239512.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 165 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_997295457.pdb -s /var/tmp/to_scwrl_997295457.seq -o /var/tmp/from_scwrl_997295457.pdb > /var/tmp/scwrl_997295457.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_997295457.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 135 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_2093874875.pdb -s /var/tmp/to_scwrl_2093874875.seq -o /var/tmp/from_scwrl_2093874875.pdb > /var/tmp/scwrl_2093874875.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2093874875.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 149 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_792415282.pdb -s /var/tmp/to_scwrl_792415282.seq -o /var/tmp/from_scwrl_792415282.pdb > /var/tmp/scwrl_792415282.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_792415282.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 149 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_916291540.pdb -s /var/tmp/to_scwrl_916291540.seq -o /var/tmp/from_scwrl_916291540.pdb > /var/tmp/scwrl_916291540.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_916291540.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 141 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_18402822.pdb -s /var/tmp/to_scwrl_18402822.seq -o /var/tmp/from_scwrl_18402822.pdb > /var/tmp/scwrl_18402822.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_18402822.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 166 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_661274098.pdb -s /var/tmp/to_scwrl_661274098.seq -o /var/tmp/from_scwrl_661274098.pdb > /var/tmp/scwrl_661274098.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_661274098.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 145 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_957643124.pdb -s /var/tmp/to_scwrl_957643124.seq -o /var/tmp/from_scwrl_957643124.pdb > /var/tmp/scwrl_957643124.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_957643124.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 165 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1819065600.pdb -s /var/tmp/to_scwrl_1819065600.seq -o /var/tmp/from_scwrl_1819065600.pdb > /var/tmp/scwrl_1819065600.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1819065600.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 152 # copying to AlignedFragments data structure # naming current conformation BayesHH_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1349519678.pdb -s /var/tmp/to_scwrl_1349519678.seq -o /var/tmp/from_scwrl_1349519678.pdb > /var/tmp/scwrl_1349519678.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1349519678.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 176 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_679074929.pdb -s /var/tmp/to_scwrl_679074929.seq -o /var/tmp/from_scwrl_679074929.pdb > /var/tmp/scwrl_679074929.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_679074929.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 176 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_528841944.pdb -s /var/tmp/to_scwrl_528841944.seq -o /var/tmp/from_scwrl_528841944.pdb > /var/tmp/scwrl_528841944.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_528841944.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 176 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_91496628.pdb -s /var/tmp/to_scwrl_91496628.seq -o /var/tmp/from_scwrl_91496628.pdb > /var/tmp/scwrl_91496628.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_91496628.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 176 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1943270626.pdb -s /var/tmp/to_scwrl_1943270626.seq -o /var/tmp/from_scwrl_1943270626.pdb > /var/tmp/scwrl_1943270626.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1943270626.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS4-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS5.pdb.gz looking for model 1 # Found a chain break before 176 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_2092259316.pdb -s /var/tmp/to_scwrl_2092259316.seq -o /var/tmp/from_scwrl_2092259316.pdb > /var/tmp/scwrl_2092259316.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2092259316.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 176 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_49102742.pdb -s /var/tmp/to_scwrl_49102742.seq -o /var/tmp/from_scwrl_49102742.pdb > /var/tmp/scwrl_49102742.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_49102742.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS1-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS2.pdb.gz looking for model 1 # Found a chain break before 173 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1895964377.pdb -s /var/tmp/to_scwrl_1895964377.seq -o /var/tmp/from_scwrl_1895964377.pdb > /var/tmp/scwrl_1895964377.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1895964377.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS2-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS3.pdb.gz looking for model 1 # Found a chain break before 179 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1046510463.pdb -s /var/tmp/to_scwrl_1046510463.seq -o /var/tmp/from_scwrl_1046510463.pdb > /var/tmp/scwrl_1046510463.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1046510463.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS3-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS4.pdb.gz looking for model 1 # Found a chain break before 175 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1379393228.pdb -s /var/tmp/to_scwrl_1379393228.seq -o /var/tmp/from_scwrl_1379393228.pdb > /var/tmp/scwrl_1379393228.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1379393228.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS4-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS5.pdb.gz looking for model 1 # Found a chain break before 179 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_2125915587.pdb -s /var/tmp/to_scwrl_2125915587.seq -o /var/tmp/from_scwrl_2125915587.pdb > /var/tmp/scwrl_2125915587.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2125915587.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS5-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS1.pdb.gz looking for model 1 # Found a chain break before 166 # copying to AlignedFragments data structure # naming current conformation CaspIta-FOX_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1567497493.pdb -s /var/tmp/to_scwrl_1567497493.seq -o /var/tmp/from_scwrl_1567497493.pdb > /var/tmp/scwrl_1567497493.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1567497493.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 T0299 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1832388063.pdb -s /var/tmp/to_scwrl_1832388063.seq -o /var/tmp/from_scwrl_1832388063.pdb > /var/tmp/scwrl_1832388063.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1832388063.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 T0299 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_259447490.pdb -s /var/tmp/to_scwrl_259447490.seq -o /var/tmp/from_scwrl_259447490.pdb > /var/tmp/scwrl_259447490.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_259447490.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 T0299 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_257637684.pdb -s /var/tmp/to_scwrl_257637684.seq -o /var/tmp/from_scwrl_257637684.pdb > /var/tmp/scwrl_257637684.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_257637684.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 T0299 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_2137458063.pdb -s /var/tmp/to_scwrl_2137458063.seq -o /var/tmp/from_scwrl_2137458063.pdb > /var/tmp/scwrl_2137458063.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2137458063.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 T0299 can't currently be optimized by undertaker # naming current conformation Distill_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_534296950.pdb -s /var/tmp/to_scwrl_534296950.seq -o /var/tmp/from_scwrl_534296950.pdb > /var/tmp/scwrl_534296950.log Error: Couldn't open file /var/tmp/from_scwrl_534296950.pdb or /var/tmp/from_scwrl_534296950.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_534296950_b.pdb or decoys//var/tmp/from_scwrl_534296950_b.pdb.gz for input Trying /var/tmp/from_scwrl_534296950_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_534296950_b.pdb or /var/tmp/from_scwrl_534296950_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_534296950_a.pdb or decoys//var/tmp/from_scwrl_534296950_a.pdb.gz for input Trying /var/tmp/from_scwrl_534296950_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_534296950_a.pdb or /var/tmp/from_scwrl_534296950_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_534296950.pdb or /var/tmp/from_scwrl_534296950_b.pdb or /var/tmp/from_scwrl_534296950_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 T0299 can't currently be optimized by undertaker # naming current conformation Distill_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_663863109.pdb -s /var/tmp/to_scwrl_663863109.seq -o /var/tmp/from_scwrl_663863109.pdb > /var/tmp/scwrl_663863109.log Error: Couldn't open file /var/tmp/from_scwrl_663863109.pdb or /var/tmp/from_scwrl_663863109.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_663863109_b.pdb or decoys//var/tmp/from_scwrl_663863109_b.pdb.gz for input Trying /var/tmp/from_scwrl_663863109_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_663863109_b.pdb or /var/tmp/from_scwrl_663863109_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_663863109_a.pdb or decoys//var/tmp/from_scwrl_663863109_a.pdb.gz for input Trying /var/tmp/from_scwrl_663863109_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_663863109_a.pdb or /var/tmp/from_scwrl_663863109_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_663863109.pdb or /var/tmp/from_scwrl_663863109_b.pdb or /var/tmp/from_scwrl_663863109_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 T0299 can't currently be optimized by undertaker # naming current conformation Distill_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1738110973.pdb -s /var/tmp/to_scwrl_1738110973.seq -o /var/tmp/from_scwrl_1738110973.pdb > /var/tmp/scwrl_1738110973.log Error: Couldn't open file /var/tmp/from_scwrl_1738110973.pdb or /var/tmp/from_scwrl_1738110973.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1738110973_b.pdb or decoys//var/tmp/from_scwrl_1738110973_b.pdb.gz for input Trying /var/tmp/from_scwrl_1738110973_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1738110973_b.pdb or /var/tmp/from_scwrl_1738110973_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1738110973_a.pdb or decoys//var/tmp/from_scwrl_1738110973_a.pdb.gz for input Trying /var/tmp/from_scwrl_1738110973_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1738110973_a.pdb or /var/tmp/from_scwrl_1738110973_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1738110973.pdb or /var/tmp/from_scwrl_1738110973_b.pdb or /var/tmp/from_scwrl_1738110973_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 T0299 can't currently be optimized by undertaker # naming current conformation Distill_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1518595896.pdb -s /var/tmp/to_scwrl_1518595896.seq -o /var/tmp/from_scwrl_1518595896.pdb > /var/tmp/scwrl_1518595896.log Error: Couldn't open file /var/tmp/from_scwrl_1518595896.pdb or /var/tmp/from_scwrl_1518595896.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1518595896_b.pdb or decoys//var/tmp/from_scwrl_1518595896_b.pdb.gz for input Trying /var/tmp/from_scwrl_1518595896_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1518595896_b.pdb or /var/tmp/from_scwrl_1518595896_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1518595896_a.pdb or decoys//var/tmp/from_scwrl_1518595896_a.pdb.gz for input Trying /var/tmp/from_scwrl_1518595896_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1518595896_a.pdb or /var/tmp/from_scwrl_1518595896_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1518595896.pdb or /var/tmp/from_scwrl_1518595896_b.pdb or /var/tmp/from_scwrl_1518595896_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 T0299 can't currently be optimized by undertaker # naming current conformation Distill_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_2086240491.pdb -s /var/tmp/to_scwrl_2086240491.seq -o /var/tmp/from_scwrl_2086240491.pdb > /var/tmp/scwrl_2086240491.log Error: Couldn't open file /var/tmp/from_scwrl_2086240491.pdb or /var/tmp/from_scwrl_2086240491.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2086240491_b.pdb or decoys//var/tmp/from_scwrl_2086240491_b.pdb.gz for input Trying /var/tmp/from_scwrl_2086240491_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2086240491_b.pdb or /var/tmp/from_scwrl_2086240491_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2086240491_a.pdb or decoys//var/tmp/from_scwrl_2086240491_a.pdb.gz for input Trying /var/tmp/from_scwrl_2086240491_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2086240491_a.pdb or /var/tmp/from_scwrl_2086240491_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2086240491.pdb or /var/tmp/from_scwrl_2086240491_b.pdb or /var/tmp/from_scwrl_2086240491_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 T0299 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FAMSD_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1817045069.pdb -s /var/tmp/to_scwrl_1817045069.seq -o /var/tmp/from_scwrl_1817045069.pdb > /var/tmp/scwrl_1817045069.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1817045069.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 T0299 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FAMSD_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_872351763.pdb -s /var/tmp/to_scwrl_872351763.seq -o /var/tmp/from_scwrl_872351763.pdb > /var/tmp/scwrl_872351763.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_872351763.pdb # conformation set from SCWRL output # naming current conformation FAMSD_TS2-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS3.pdb.gz looking for model 1 # Found a chain break before 176 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_936052301.pdb -s /var/tmp/to_scwrl_936052301.seq -o /var/tmp/from_scwrl_936052301.pdb > /var/tmp/scwrl_936052301.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_936052301.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 T0299 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FAMSD_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1763436298.pdb -s /var/tmp/to_scwrl_1763436298.seq -o /var/tmp/from_scwrl_1763436298.pdb > /var/tmp/scwrl_1763436298.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1763436298.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 T0299 can't currently be optimized by undertaker # naming current conformation FAMSD_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1664767044.pdb -s /var/tmp/to_scwrl_1664767044.seq -o /var/tmp/from_scwrl_1664767044.pdb > /var/tmp/scwrl_1664767044.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1664767044.pdb # conformation set from SCWRL output # naming current conformation FAMSD_TS5-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS1.pdb.gz looking for model 1 # Found a chain break before 175 # copying to AlignedFragments data structure # naming current conformation FAMS_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1852343840.pdb -s /var/tmp/to_scwrl_1852343840.seq -o /var/tmp/from_scwrl_1852343840.pdb > /var/tmp/scwrl_1852343840.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1852343840.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS1-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS2.pdb.gz looking for model 1 # Found a chain break before 176 # copying to AlignedFragments data structure # naming current conformation FAMS_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1781839120.pdb -s /var/tmp/to_scwrl_1781839120.seq -o /var/tmp/from_scwrl_1781839120.pdb > /var/tmp/scwrl_1781839120.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1781839120.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 T0299 can't currently be optimized by undertaker # naming current conformation FAMS_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_178557496.pdb -s /var/tmp/to_scwrl_178557496.seq -o /var/tmp/from_scwrl_178557496.pdb > /var/tmp/scwrl_178557496.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_178557496.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS3-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS4.pdb.gz looking for model 1 # Found a chain break before 176 # copying to AlignedFragments data structure # naming current conformation FAMS_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_662503317.pdb -s /var/tmp/to_scwrl_662503317.seq -o /var/tmp/from_scwrl_662503317.pdb > /var/tmp/scwrl_662503317.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_662503317.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS4-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS5.pdb.gz looking for model 1 # Found a chain break before 179 # copying to AlignedFragments data structure # naming current conformation FAMS_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1453421073.pdb -s /var/tmp/to_scwrl_1453421073.seq -o /var/tmp/from_scwrl_1453421073.pdb > /var/tmp/scwrl_1453421073.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1453421073.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 173 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1528077174.pdb -s /var/tmp/to_scwrl_1528077174.seq -o /var/tmp/from_scwrl_1528077174.pdb > /var/tmp/scwrl_1528077174.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1528077174.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 173 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1341578246.pdb -s /var/tmp/to_scwrl_1341578246.seq -o /var/tmp/from_scwrl_1341578246.pdb > /var/tmp/scwrl_1341578246.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1341578246.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 176 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1982263017.pdb -s /var/tmp/to_scwrl_1982263017.seq -o /var/tmp/from_scwrl_1982263017.pdb > /var/tmp/scwrl_1982263017.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1982263017.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 162 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1619573802.pdb -s /var/tmp/to_scwrl_1619573802.seq -o /var/tmp/from_scwrl_1619573802.pdb > /var/tmp/scwrl_1619573802.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1619573802.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 168 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1137365225.pdb -s /var/tmp/to_scwrl_1137365225.seq -o /var/tmp/from_scwrl_1137365225.pdb > /var/tmp/scwrl_1137365225.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1137365225.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 T0299 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1927038687.pdb -s /var/tmp/to_scwrl_1927038687.seq -o /var/tmp/from_scwrl_1927038687.pdb > /var/tmp/scwrl_1927038687.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1927038687.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 T0299 can't currently be optimized by undertaker # naming current conformation FORTE1_AL2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1668676545.pdb -s /var/tmp/to_scwrl_1668676545.seq -o /var/tmp/from_scwrl_1668676545.pdb > /var/tmp/scwrl_1668676545.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1668676545.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 T0299 can't currently be optimized by undertaker # naming current conformation FORTE1_AL3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_885845956.pdb -s /var/tmp/to_scwrl_885845956.seq -o /var/tmp/from_scwrl_885845956.pdb > /var/tmp/scwrl_885845956.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_885845956.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 # WARNING: incomplete conformation T0299 can't currently be optimized by undertaker # naming current conformation FORTE1_AL4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_826065503.pdb -s /var/tmp/to_scwrl_826065503.seq -o /var/tmp/from_scwrl_826065503.pdb > /var/tmp/scwrl_826065503.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_826065503.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 Skipped atom 55, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 60, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz # WARNING: incomplete conformation T0299 can't currently be optimized by undertaker # naming current conformation FORTE1_AL5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_900586127.pdb -s /var/tmp/to_scwrl_900586127.seq -o /var/tmp/from_scwrl_900586127.pdb > /var/tmp/scwrl_900586127.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_900586127.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 T0299 can't currently be optimized by undertaker # naming current conformation FORTE2_AL1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_864277896.pdb -s /var/tmp/to_scwrl_864277896.seq -o /var/tmp/from_scwrl_864277896.pdb > /var/tmp/scwrl_864277896.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_864277896.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 T0299 can't currently be optimized by undertaker # naming current conformation FORTE2_AL2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_246079349.pdb -s /var/tmp/to_scwrl_246079349.seq -o /var/tmp/from_scwrl_246079349.pdb > /var/tmp/scwrl_246079349.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_246079349.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 Skipped atom 55, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL3.pdb.gz Skipped atom 60, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL3.pdb.gz # WARNING: incomplete conformation T0299 can't currently be optimized by undertaker # naming current conformation FORTE2_AL3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_585490543.pdb -s /var/tmp/to_scwrl_585490543.seq -o /var/tmp/from_scwrl_585490543.pdb > /var/tmp/scwrl_585490543.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_585490543.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 # WARNING: incomplete conformation T0299 can't currently be optimized by undertaker # naming current conformation FORTE2_AL4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1123725385.pdb -s /var/tmp/to_scwrl_1123725385.seq -o /var/tmp/from_scwrl_1123725385.pdb > /var/tmp/scwrl_1123725385.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1123725385.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 T0299 can't currently be optimized by undertaker # naming current conformation FORTE2_AL5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_503717033.pdb -s /var/tmp/to_scwrl_503717033.seq -o /var/tmp/from_scwrl_503717033.pdb > /var/tmp/scwrl_503717033.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_503717033.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 174 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_575464959.pdb -s /var/tmp/to_scwrl_575464959.seq -o /var/tmp/from_scwrl_575464959.pdb > /var/tmp/scwrl_575464959.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_575464959.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 166 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1658022336.pdb -s /var/tmp/to_scwrl_1658022336.seq -o /var/tmp/from_scwrl_1658022336.pdb > /var/tmp/scwrl_1658022336.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1658022336.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 127 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1167580141.pdb -s /var/tmp/to_scwrl_1167580141.seq -o /var/tmp/from_scwrl_1167580141.pdb > /var/tmp/scwrl_1167580141.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1167580141.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 163 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_166092286.pdb -s /var/tmp/to_scwrl_166092286.seq -o /var/tmp/from_scwrl_166092286.pdb > /var/tmp/scwrl_166092286.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_166092286.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 167 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1029134586.pdb -s /var/tmp/to_scwrl_1029134586.seq -o /var/tmp/from_scwrl_1029134586.pdb > /var/tmp/scwrl_1029134586.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1029134586.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 T0299 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1106336985.pdb -s /var/tmp/to_scwrl_1106336985.seq -o /var/tmp/from_scwrl_1106336985.pdb > /var/tmp/scwrl_1106336985.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1106336985.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 176 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1983137355.pdb -s /var/tmp/to_scwrl_1983137355.seq -o /var/tmp/from_scwrl_1983137355.pdb > /var/tmp/scwrl_1983137355.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1983137355.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 165 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1901486348.pdb -s /var/tmp/to_scwrl_1901486348.seq -o /var/tmp/from_scwrl_1901486348.pdb > /var/tmp/scwrl_1901486348.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1901486348.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 T0299 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_2042389286.pdb -s /var/tmp/to_scwrl_2042389286.seq -o /var/tmp/from_scwrl_2042389286.pdb > /var/tmp/scwrl_2042389286.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2042389286.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 174 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1599090006.pdb -s /var/tmp/to_scwrl_1599090006.seq -o /var/tmp/from_scwrl_1599090006.pdb > /var/tmp/scwrl_1599090006.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1599090006.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 T0299 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1418769746.pdb -s /var/tmp/to_scwrl_1418769746.seq -o /var/tmp/from_scwrl_1418769746.pdb > /var/tmp/scwrl_1418769746.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1418769746.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 T0299 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1747249480.pdb -s /var/tmp/to_scwrl_1747249480.seq -o /var/tmp/from_scwrl_1747249480.pdb > /var/tmp/scwrl_1747249480.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1747249480.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 T0299 can't currently be optimized by undertaker # naming current conformation FUGUE_AL3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1233445480.pdb -s /var/tmp/to_scwrl_1233445480.seq -o /var/tmp/from_scwrl_1233445480.pdb > /var/tmp/scwrl_1233445480.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1233445480.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 T0299 can't currently be optimized by undertaker # naming current conformation FUGUE_AL4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1597327242.pdb -s /var/tmp/to_scwrl_1597327242.seq -o /var/tmp/from_scwrl_1597327242.pdb > /var/tmp/scwrl_1597327242.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1597327242.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 T0299 can't currently be optimized by undertaker # naming current conformation FUGUE_AL5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_262269150.pdb -s /var/tmp/to_scwrl_262269150.seq -o /var/tmp/from_scwrl_262269150.pdb > /var/tmp/scwrl_262269150.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_262269150.pdb # conformation set from SCWRL output # naming current conformation FUGUE_AL5-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS1.pdb.gz looking for model 1 # Found a chain break before 175 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_539382907.pdb -s /var/tmp/to_scwrl_539382907.seq -o /var/tmp/from_scwrl_539382907.pdb > /var/tmp/scwrl_539382907.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_539382907.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 176 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_977920770.pdb -s /var/tmp/to_scwrl_977920770.seq -o /var/tmp/from_scwrl_977920770.pdb > /var/tmp/scwrl_977920770.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_977920770.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS2-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS3.pdb.gz looking for model 1 # Found a chain break before 177 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1603847396.pdb -s /var/tmp/to_scwrl_1603847396.seq -o /var/tmp/from_scwrl_1603847396.pdb > /var/tmp/scwrl_1603847396.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1603847396.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS3-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS4.pdb.gz looking for model 1 # Found a chain break before 177 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_374162278.pdb -s /var/tmp/to_scwrl_374162278.seq -o /var/tmp/from_scwrl_374162278.pdb > /var/tmp/scwrl_374162278.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_374162278.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 177 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_450010926.pdb -s /var/tmp/to_scwrl_450010926.seq -o /var/tmp/from_scwrl_450010926.pdb > /var/tmp/scwrl_450010926.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_450010926.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS5-scwrl # ReadConformPDB reading from PDB file servers/Frankenstein_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0299 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_593728975.pdb -s /var/tmp/to_scwrl_593728975.seq -o /var/tmp/from_scwrl_593728975.pdb > /var/tmp/scwrl_593728975.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_593728975.pdb # conformation set from SCWRL output # naming current conformation Frankenstein_TS3-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS1.pdb.gz looking for model 1 # Found a chain break before 175 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_153717318.pdb -s /var/tmp/to_scwrl_153717318.seq -o /var/tmp/from_scwrl_153717318.pdb > /var/tmp/scwrl_153717318.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_153717318.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS1-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS2.pdb.gz looking for model 1 # Found a chain break before 93 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_2118687471.pdb -s /var/tmp/to_scwrl_2118687471.seq -o /var/tmp/from_scwrl_2118687471.pdb > /var/tmp/scwrl_2118687471.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2118687471.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS2-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS3.pdb.gz looking for model 1 # Found a chain break before 165 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1479574931.pdb -s /var/tmp/to_scwrl_1479574931.seq -o /var/tmp/from_scwrl_1479574931.pdb > /var/tmp/scwrl_1479574931.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1479574931.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS3-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS4.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_979782821.pdb -s /var/tmp/to_scwrl_979782821.seq -o /var/tmp/from_scwrl_979782821.pdb > /var/tmp/scwrl_979782821.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_979782821.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS4-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS5.pdb.gz looking for model 1 # Found a chain break before 175 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_871789951.pdb -s /var/tmp/to_scwrl_871789951.seq -o /var/tmp/from_scwrl_871789951.pdb > /var/tmp/scwrl_871789951.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_871789951.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS5-scwrl # ReadConformPDB reading from PDB file servers/HHpred1_TS1.pdb.gz looking for model 1 # Found a chain break before 44 # copying to AlignedFragments data structure # naming current conformation HHpred1_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_196369180.pdb -s /var/tmp/to_scwrl_196369180.seq -o /var/tmp/from_scwrl_196369180.pdb > /var/tmp/scwrl_196369180.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_196369180.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 74 # copying to AlignedFragments data structure # naming current conformation HHpred2_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1225862169.pdb -s /var/tmp/to_scwrl_1225862169.seq -o /var/tmp/from_scwrl_1225862169.pdb > /var/tmp/scwrl_1225862169.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1225862169.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 89 # copying to AlignedFragments data structure # naming current conformation HHpred3_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1457280493.pdb -s /var/tmp/to_scwrl_1457280493.seq -o /var/tmp/from_scwrl_1457280493.pdb > /var/tmp/scwrl_1457280493.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1457280493.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 T0299 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1320094566.pdb -s /var/tmp/to_scwrl_1320094566.seq -o /var/tmp/from_scwrl_1320094566.pdb > /var/tmp/scwrl_1320094566.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1320094566.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 T0299 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1729579202.pdb -s /var/tmp/to_scwrl_1729579202.seq -o /var/tmp/from_scwrl_1729579202.pdb > /var/tmp/scwrl_1729579202.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1729579202.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 T0299 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_2032745452.pdb -s /var/tmp/to_scwrl_2032745452.seq -o /var/tmp/from_scwrl_2032745452.pdb > /var/tmp/scwrl_2032745452.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2032745452.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 T0299 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_830633256.pdb -s /var/tmp/to_scwrl_830633256.seq -o /var/tmp/from_scwrl_830633256.pdb > /var/tmp/scwrl_830633256.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_830633256.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 T0299 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_749675698.pdb -s /var/tmp/to_scwrl_749675698.seq -o /var/tmp/from_scwrl_749675698.pdb > /var/tmp/scwrl_749675698.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_749675698.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 T0299 can't currently be optimized by undertaker # naming current conformation LOOPP_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_51354091.pdb -s /var/tmp/to_scwrl_51354091.seq -o /var/tmp/from_scwrl_51354091.pdb > /var/tmp/scwrl_51354091.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_51354091.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 T0299 can't currently be optimized by undertaker # naming current conformation LOOPP_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1859767841.pdb -s /var/tmp/to_scwrl_1859767841.seq -o /var/tmp/from_scwrl_1859767841.pdb > /var/tmp/scwrl_1859767841.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1859767841.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 T0299 can't currently be optimized by undertaker # naming current conformation LOOPP_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1856012683.pdb -s /var/tmp/to_scwrl_1856012683.seq -o /var/tmp/from_scwrl_1856012683.pdb > /var/tmp/scwrl_1856012683.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1856012683.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 T0299 can't currently be optimized by undertaker # naming current conformation LOOPP_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_2034491447.pdb -s /var/tmp/to_scwrl_2034491447.seq -o /var/tmp/from_scwrl_2034491447.pdb > /var/tmp/scwrl_2034491447.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2034491447.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 T0299 can't currently be optimized by undertaker # naming current conformation LOOPP_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1613770543.pdb -s /var/tmp/to_scwrl_1613770543.seq -o /var/tmp/from_scwrl_1613770543.pdb > /var/tmp/scwrl_1613770543.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1613770543.pdb # conformation set from SCWRL output # naming current conformation LOOPP_TS5-scwrl # ReadConformPDB reading from PDB file servers/MIG_FROST_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0299 can't currently be optimized by undertaker # naming current conformation MIG_FROST_AL1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1750918323.pdb -s /var/tmp/to_scwrl_1750918323.seq -o /var/tmp/from_scwrl_1750918323.pdb > /var/tmp/scwrl_1750918323.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1750918323.pdb # conformation set from SCWRL output # naming current conformation MIG_FROST_AL1-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS1.pdb.gz looking for model 1 # Found a chain break before 141 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1486097806.pdb -s /var/tmp/to_scwrl_1486097806.seq -o /var/tmp/from_scwrl_1486097806.pdb > /var/tmp/scwrl_1486097806.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1486097806.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 174 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_885056643.pdb -s /var/tmp/to_scwrl_885056643.seq -o /var/tmp/from_scwrl_885056643.pdb > /var/tmp/scwrl_885056643.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_885056643.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 169 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1350684156.pdb -s /var/tmp/to_scwrl_1350684156.seq -o /var/tmp/from_scwrl_1350684156.pdb > /var/tmp/scwrl_1350684156.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1350684156.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 178 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_572059640.pdb -s /var/tmp/to_scwrl_572059640.seq -o /var/tmp/from_scwrl_572059640.pdb > /var/tmp/scwrl_572059640.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_572059640.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 147 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_334900238.pdb -s /var/tmp/to_scwrl_334900238.seq -o /var/tmp/from_scwrl_334900238.pdb > /var/tmp/scwrl_334900238.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_334900238.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 167 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1612953306.pdb -s /var/tmp/to_scwrl_1612953306.seq -o /var/tmp/from_scwrl_1612953306.pdb > /var/tmp/scwrl_1612953306.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1612953306.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 166 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1111442547.pdb -s /var/tmp/to_scwrl_1111442547.seq -o /var/tmp/from_scwrl_1111442547.pdb > /var/tmp/scwrl_1111442547.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1111442547.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 167 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1312821007.pdb -s /var/tmp/to_scwrl_1312821007.seq -o /var/tmp/from_scwrl_1312821007.pdb > /var/tmp/scwrl_1312821007.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1312821007.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 179 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1069317057.pdb -s /var/tmp/to_scwrl_1069317057.seq -o /var/tmp/from_scwrl_1069317057.pdb > /var/tmp/scwrl_1069317057.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1069317057.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 166 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1485604825.pdb -s /var/tmp/to_scwrl_1485604825.seq -o /var/tmp/from_scwrl_1485604825.pdb > /var/tmp/scwrl_1485604825.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1485604825.pdb # conformation set from SCWRL output # naming current conformation MetaTasser_TS5-scwrl # ReadConformPDB reading from PDB file servers/NN_PUT_lab_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0299 can't currently be optimized by undertaker # naming current conformation NN_PUT_lab_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1762831933.pdb -s /var/tmp/to_scwrl_1762831933.seq -o /var/tmp/from_scwrl_1762831933.pdb > /var/tmp/scwrl_1762831933.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1762831933.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 162 ; scwrl3 -i /var/tmp/to_scwrl_1663046031.pdb -s /var/tmp/to_scwrl_1663046031.seq -o /var/tmp/from_scwrl_1663046031.pdb > /var/tmp/scwrl_1663046031.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1663046031.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 162 ; scwrl3 -i /var/tmp/to_scwrl_1639322143.pdb -s /var/tmp/to_scwrl_1639322143.seq -o /var/tmp/from_scwrl_1639322143.pdb > /var/tmp/scwrl_1639322143.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1639322143.pdb # conformation set from SCWRL output # naming current conformation PROTINFO-AB_TS2-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS3.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1734035757.pdb -s /var/tmp/to_scwrl_1734035757.seq -o /var/tmp/from_scwrl_1734035757.pdb > /var/tmp/scwrl_1734035757.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1734035757.pdb # conformation set from SCWRL output # naming current conformation PROTINFO-AB_TS3-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS4.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_995137316.pdb -s /var/tmp/to_scwrl_995137316.seq -o /var/tmp/from_scwrl_995137316.pdb > /var/tmp/scwrl_995137316.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_995137316.pdb # conformation set from SCWRL output # naming current conformation PROTINFO-AB_TS4-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS5.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_471621317.pdb -s /var/tmp/to_scwrl_471621317.seq -o /var/tmp/from_scwrl_471621317.pdb > /var/tmp/scwrl_471621317.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_471621317.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 T0299 can't currently be optimized by undertaker # naming current conformation PROTINFO_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_458342061.pdb -s /var/tmp/to_scwrl_458342061.seq -o /var/tmp/from_scwrl_458342061.pdb > /var/tmp/scwrl_458342061.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_458342061.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 # naming current conformation PROTINFO_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1191506496.pdb -s /var/tmp/to_scwrl_1191506496.seq -o /var/tmp/from_scwrl_1191506496.pdb > /var/tmp/scwrl_1191506496.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1191506496.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 T0299 can't currently be optimized by undertaker # naming current conformation PROTINFO_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1697483486.pdb -s /var/tmp/to_scwrl_1697483486.seq -o /var/tmp/from_scwrl_1697483486.pdb > /var/tmp/scwrl_1697483486.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1697483486.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS3-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS4.pdb.gz looking for model 1 # naming current conformation PROTINFO_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1915622554.pdb -s /var/tmp/to_scwrl_1915622554.seq -o /var/tmp/from_scwrl_1915622554.pdb > /var/tmp/scwrl_1915622554.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1915622554.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 T0299 can't currently be optimized by undertaker # naming current conformation PROTINFO_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_364117416.pdb -s /var/tmp/to_scwrl_364117416.seq -o /var/tmp/from_scwrl_364117416.pdb > /var/tmp/scwrl_364117416.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_364117416.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 T0299 can't currently be optimized by undertaker # naming current conformation Pcons6_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1279579041.pdb -s /var/tmp/to_scwrl_1279579041.seq -o /var/tmp/from_scwrl_1279579041.pdb > /var/tmp/scwrl_1279579041.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1279579041.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 # Found a chain break before 179 # copying to AlignedFragments data structure # naming current conformation Pcons6_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1800884360.pdb -s /var/tmp/to_scwrl_1800884360.seq -o /var/tmp/from_scwrl_1800884360.pdb > /var/tmp/scwrl_1800884360.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1800884360.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 # Found a chain break before 133 # copying to AlignedFragments data structure # naming current conformation Pcons6_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1194750671.pdb -s /var/tmp/to_scwrl_1194750671.seq -o /var/tmp/from_scwrl_1194750671.pdb > /var/tmp/scwrl_1194750671.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1194750671.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 # Found a chain break before 170 # copying to AlignedFragments data structure # naming current conformation Pcons6_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_2029254739.pdb -s /var/tmp/to_scwrl_2029254739.seq -o /var/tmp/from_scwrl_2029254739.pdb > /var/tmp/scwrl_2029254739.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2029254739.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 # Found a chain break before 132 # copying to AlignedFragments data structure # naming current conformation Pcons6_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1852238451.pdb -s /var/tmp/to_scwrl_1852238451.seq -o /var/tmp/from_scwrl_1852238451.pdb > /var/tmp/scwrl_1852238451.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1852238451.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 T0299 can't currently be optimized by undertaker # naming current conformation Phyre-1_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_907034866.pdb -s /var/tmp/to_scwrl_907034866.seq -o /var/tmp/from_scwrl_907034866.pdb > /var/tmp/scwrl_907034866.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_907034866.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 # WARNING: incomplete conformation T0299 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1737783776.pdb -s /var/tmp/to_scwrl_1737783776.seq -o /var/tmp/from_scwrl_1737783776.pdb > /var/tmp/scwrl_1737783776.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1737783776.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 # WARNING: incomplete conformation T0299 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1739246251.pdb -s /var/tmp/to_scwrl_1739246251.seq -o /var/tmp/from_scwrl_1739246251.pdb > /var/tmp/scwrl_1739246251.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1739246251.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 # WARNING: incomplete conformation T0299 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_373321762.pdb -s /var/tmp/to_scwrl_373321762.seq -o /var/tmp/from_scwrl_373321762.pdb > /var/tmp/scwrl_373321762.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_373321762.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 # WARNING: incomplete conformation T0299 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1341218452.pdb -s /var/tmp/to_scwrl_1341218452.seq -o /var/tmp/from_scwrl_1341218452.pdb > /var/tmp/scwrl_1341218452.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1341218452.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS4-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0299 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1077860411.pdb -s /var/tmp/to_scwrl_1077860411.seq -o /var/tmp/from_scwrl_1077860411.pdb > /var/tmp/scwrl_1077860411.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1077860411.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS5-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS1.pdb.gz looking for model 1 # Found a chain break before 103 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1258378404.pdb -s /var/tmp/to_scwrl_1258378404.seq -o /var/tmp/from_scwrl_1258378404.pdb > /var/tmp/scwrl_1258378404.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1258378404.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 # Found a chain break before 170 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_544418962.pdb -s /var/tmp/to_scwrl_544418962.seq -o /var/tmp/from_scwrl_544418962.pdb > /var/tmp/scwrl_544418962.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_544418962.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 # Found a chain break before 179 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1649920051.pdb -s /var/tmp/to_scwrl_1649920051.seq -o /var/tmp/from_scwrl_1649920051.pdb > /var/tmp/scwrl_1649920051.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1649920051.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 # Found a chain break before 133 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1593278642.pdb -s /var/tmp/to_scwrl_1593278642.seq -o /var/tmp/from_scwrl_1593278642.pdb > /var/tmp/scwrl_1593278642.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1593278642.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS4-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS5.pdb.gz looking for model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_9888621.pdb -s /var/tmp/to_scwrl_9888621.seq -o /var/tmp/from_scwrl_9888621.pdb > /var/tmp/scwrl_9888621.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_9888621.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 150 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_613878952.pdb -s /var/tmp/to_scwrl_613878952.seq -o /var/tmp/from_scwrl_613878952.pdb > /var/tmp/scwrl_613878952.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_613878952.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 138 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_758616004.pdb -s /var/tmp/to_scwrl_758616004.seq -o /var/tmp/from_scwrl_758616004.pdb > /var/tmp/scwrl_758616004.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_758616004.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 178 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1079205677.pdb -s /var/tmp/to_scwrl_1079205677.seq -o /var/tmp/from_scwrl_1079205677.pdb > /var/tmp/scwrl_1079205677.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1079205677.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 174 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_2099483777.pdb -s /var/tmp/to_scwrl_2099483777.seq -o /var/tmp/from_scwrl_2099483777.pdb > /var/tmp/scwrl_2099483777.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2099483777.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 170 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_373964290.pdb -s /var/tmp/to_scwrl_373964290.seq -o /var/tmp/from_scwrl_373964290.pdb > /var/tmp/scwrl_373964290.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_373964290.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 157 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_594768063.pdb -s /var/tmp/to_scwrl_594768063.seq -o /var/tmp/from_scwrl_594768063.pdb > /var/tmp/scwrl_594768063.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_594768063.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 155 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1591322273.pdb -s /var/tmp/to_scwrl_1591322273.seq -o /var/tmp/from_scwrl_1591322273.pdb > /var/tmp/scwrl_1591322273.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1591322273.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 151 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_2108000048.pdb -s /var/tmp/to_scwrl_2108000048.seq -o /var/tmp/from_scwrl_2108000048.pdb > /var/tmp/scwrl_2108000048.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2108000048.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 157 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1589905378.pdb -s /var/tmp/to_scwrl_1589905378.seq -o /var/tmp/from_scwrl_1589905378.pdb > /var/tmp/scwrl_1589905378.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1589905378.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 178 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_2062943590.pdb -s /var/tmp/to_scwrl_2062943590.seq -o /var/tmp/from_scwrl_2062943590.pdb > /var/tmp/scwrl_2062943590.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2062943590.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 156 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_418858462.pdb -s /var/tmp/to_scwrl_418858462.seq -o /var/tmp/from_scwrl_418858462.pdb > /var/tmp/scwrl_418858462.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_418858462.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 132 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_633928228.pdb -s /var/tmp/to_scwrl_633928228.seq -o /var/tmp/from_scwrl_633928228.pdb > /var/tmp/scwrl_633928228.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_633928228.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 137 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1612943429.pdb -s /var/tmp/to_scwrl_1612943429.seq -o /var/tmp/from_scwrl_1612943429.pdb > /var/tmp/scwrl_1612943429.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1612943429.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 135 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_186997370.pdb -s /var/tmp/to_scwrl_186997370.seq -o /var/tmp/from_scwrl_186997370.pdb > /var/tmp/scwrl_186997370.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_186997370.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 167 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_998045644.pdb -s /var/tmp/to_scwrl_998045644.seq -o /var/tmp/from_scwrl_998045644.pdb > /var/tmp/scwrl_998045644.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_998045644.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 103 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_745038825.pdb -s /var/tmp/to_scwrl_745038825.seq -o /var/tmp/from_scwrl_745038825.pdb > /var/tmp/scwrl_745038825.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_745038825.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 167 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1987881730.pdb -s /var/tmp/to_scwrl_1987881730.seq -o /var/tmp/from_scwrl_1987881730.pdb > /var/tmp/scwrl_1987881730.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1987881730.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 44 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_45312668.pdb -s /var/tmp/to_scwrl_45312668.seq -o /var/tmp/from_scwrl_45312668.pdb > /var/tmp/scwrl_45312668.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_45312668.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 132 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_626809917.pdb -s /var/tmp/to_scwrl_626809917.seq -o /var/tmp/from_scwrl_626809917.pdb > /var/tmp/scwrl_626809917.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_626809917.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 33 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1692636534.pdb -s /var/tmp/to_scwrl_1692636534.seq -o /var/tmp/from_scwrl_1692636534.pdb > /var/tmp/scwrl_1692636534.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1692636534.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 WARNING: atoms too close: (T0299)K16.CA and (T0299)K16.CB only 0.000 apart, marking (T0299)K16.CB as missing WARNING: atoms too close: (T0299)K18.CA and (T0299)K18.CB only 0.000 apart, marking (T0299)K18.CB as missing WARNING: atoms too close: (T0299)N30.CA and (T0299)N30.CB only 0.000 apart, marking (T0299)N30.CB as missing WARNING: atoms too close: (T0299)K35.CA and (T0299)K35.CB only 0.000 apart, marking (T0299)K35.CB as missing WARNING: atoms too close: (T0299)I50.CA and (T0299)I50.CB only 0.000 apart, marking (T0299)I50.CB as missing WARNING: atoms too close: (T0299)Q72.CA and (T0299)Q72.CB only 0.000 apart, marking (T0299)Q72.CB as missing WARNING: atoms too close: (T0299)L79.CA and (T0299)L79.CB only 0.000 apart, marking (T0299)L79.CB as missing WARNING: atoms too close: (T0299)F82.CA and (T0299)F82.CB only 0.000 apart, marking (T0299)F82.CB as missing WARNING: atoms too close: (T0299)E85.CA and (T0299)E85.CB only 0.000 apart, marking (T0299)E85.CB as missing WARNING: atoms too close: (T0299)E87.CA and (T0299)E87.CB only 0.000 apart, marking (T0299)E87.CB as missing WARNING: atoms too close: (T0299)A91.CA and (T0299)A91.CB only 0.000 apart, marking (T0299)A91.CB as missing WARNING: atoms too close: (T0299)Y105.CA and (T0299)Y105.CB only 0.000 apart, marking (T0299)Y105.CB as missing WARNING: atoms too close: (T0299)E107.CA and (T0299)E107.CB only 0.000 apart, marking (T0299)E107.CB as missing WARNING: atoms too close: (T0299)E122.CA and (T0299)E122.CB only 0.000 apart, marking (T0299)E122.CB as missing WARNING: atoms too close: (T0299)F130.CA and (T0299)F130.CB only 0.000 apart, marking (T0299)F130.CB as missing WARNING: atoms too close: (T0299)K139.CA and (T0299)K139.CB only 0.000 apart, marking (T0299)K139.CB as missing WARNING: atoms too close: (T0299)E142.CA and (T0299)E142.CB only 0.000 apart, marking (T0299)E142.CB as missing WARNING: atoms too close: (T0299)Y150.CA and (T0299)Y150.CB only 0.000 apart, marking (T0299)Y150.CB as missing WARNING: atoms too close: (T0299)K173.CA and (T0299)K173.CB only 0.000 apart, marking (T0299)K173.CB as missing # WARNING: incomplete conformation T0299 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_952347535.pdb -s /var/tmp/to_scwrl_952347535.seq -o /var/tmp/from_scwrl_952347535.pdb > /var/tmp/scwrl_952347535.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_952347535.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 WARNING: atoms too close: (T0299)K16.CA and (T0299)K16.CB only 0.000 apart, marking (T0299)K16.CB as missing WARNING: atoms too close: (T0299)M21.CA and (T0299)M21.CB only 0.000 apart, marking (T0299)M21.CB as missing WARNING: atoms too close: (T0299)L33.CA and (T0299)L33.CB only 0.000 apart, marking (T0299)L33.CB as missing WARNING: atoms too close: (T0299)S49.CA and (T0299)S49.CB only 0.000 apart, marking (T0299)S49.CB as missing WARNING: atoms too close: (T0299)I50.CA and (T0299)I50.CB only 0.000 apart, marking (T0299)I50.CB as missing WARNING: atoms too close: (T0299)V66.CA and (T0299)V66.CB only 0.000 apart, marking (T0299)V66.CB as missing WARNING: atoms too close: (T0299)P69.CA and (T0299)P69.CB only 0.000 apart, marking (T0299)P69.CB as missing WARNING: atoms too close: (T0299)L103.CA and (T0299)L103.CB only 0.000 apart, marking (T0299)L103.CB as missing WARNING: atoms too close: (T0299)V111.CA and (T0299)V111.CB only 0.000 apart, marking (T0299)V111.CB as missing WARNING: atoms too close: (T0299)E126.CA and (T0299)E126.CB only 0.000 apart, marking (T0299)E126.CB as missing WARNING: atoms too close: (T0299)Y129.CA and (T0299)Y129.CB only 0.000 apart, marking (T0299)Y129.CB as missing WARNING: atoms too close: (T0299)L133.CA and (T0299)L133.CB only 0.000 apart, marking (T0299)L133.CB as missing WARNING: atoms too close: (T0299)F136.CA and (T0299)F136.CB only 0.000 apart, marking (T0299)F136.CB as missing WARNING: atoms too close: (T0299)Y145.CA and (T0299)Y145.CB only 0.000 apart, marking (T0299)Y145.CB as missing WARNING: atoms too close: (T0299)L155.CA and (T0299)L155.CB only 0.000 apart, marking (T0299)L155.CB as missing WARNING: atoms too close: (T0299)A168.CA and (T0299)A168.CB only 0.000 apart, marking (T0299)A168.CB as missing # WARNING: incomplete conformation T0299 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_217110046.pdb -s /var/tmp/to_scwrl_217110046.seq -o /var/tmp/from_scwrl_217110046.pdb > /var/tmp/scwrl_217110046.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_217110046.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 WARNING: atoms too close: (T0299)V8.CA and (T0299)V8.CB only 0.000 apart, marking (T0299)V8.CB as missing WARNING: atoms too close: (T0299)I11.CA and (T0299)I11.CB only 0.000 apart, marking (T0299)I11.CB as missing WARNING: atoms too close: (T0299)R25.CA and (T0299)R25.CB only 0.000 apart, marking (T0299)R25.CB as missing WARNING: atoms too close: (T0299)N30.CA and (T0299)N30.CB only 0.000 apart, marking (T0299)N30.CB as missing WARNING: atoms too close: (T0299)K53.CA and (T0299)K53.CB only 0.000 apart, marking (T0299)K53.CB as missing WARNING: atoms too close: (T0299)E58.CA and (T0299)E58.CB only 0.000 apart, marking (T0299)E58.CB as missing WARNING: atoms too close: (T0299)K59.CA and (T0299)K59.CB only 0.000 apart, marking (T0299)K59.CB as missing WARNING: atoms too close: (T0299)F70.CA and (T0299)F70.CB only 0.000 apart, marking (T0299)F70.CB as missing WARNING: atoms too close: (T0299)F74.CA and (T0299)F74.CB only 0.000 apart, marking (T0299)F74.CB as missing WARNING: atoms too close: (T0299)F82.CA and (T0299)F82.CB only 0.000 apart, marking (T0299)F82.CB as missing WARNING: atoms too close: (T0299)E85.CA and (T0299)E85.CB only 0.000 apart, marking (T0299)E85.CB as missing WARNING: atoms too close: (T0299)N88.CA and (T0299)N88.CB only 0.000 apart, marking (T0299)N88.CB as missing WARNING: atoms too close: (T0299)W92.CA and (T0299)W92.CB only 0.000 apart, marking (T0299)W92.CB as missing WARNING: atoms too close: (T0299)A98.CA and (T0299)A98.CB only 0.000 apart, marking (T0299)A98.CB as missing WARNING: atoms too close: (T0299)K100.CA and (T0299)K100.CB only 0.000 apart, marking (T0299)K100.CB as missing WARNING: atoms too close: (T0299)E119.CA and (T0299)E119.CB only 0.000 apart, marking (T0299)E119.CB as missing WARNING: atoms too close: (T0299)L121.CA and (T0299)L121.CB only 0.000 apart, marking (T0299)L121.CB as missing WARNING: atoms too close: (T0299)E126.CA and (T0299)E126.CB only 0.000 apart, marking (T0299)E126.CB as missing WARNING: atoms too close: (T0299)F130.CA and (T0299)F130.CB only 0.000 apart, marking (T0299)F130.CB as missing WARNING: atoms too close: (T0299)K139.CA and (T0299)K139.CB only 0.000 apart, marking (T0299)K139.CB as missing WARNING: atoms too close: (T0299)Y145.CA and (T0299)Y145.CB only 0.000 apart, marking (T0299)Y145.CB as missing WARNING: atoms too close: (T0299)L155.CA and (T0299)L155.CB only 0.000 apart, marking (T0299)L155.CB as missing WARNING: atoms too close: (T0299)K180.CA and (T0299)K180.CB only 0.000 apart, marking (T0299)K180.CB as missing # WARNING: incomplete conformation T0299 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1284399139.pdb -s /var/tmp/to_scwrl_1284399139.seq -o /var/tmp/from_scwrl_1284399139.pdb > /var/tmp/scwrl_1284399139.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1284399139.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 WARNING: atoms too close: (T0299)Y4.CA and (T0299)Y4.CB only 0.000 apart, marking (T0299)Y4.CB as missing WARNING: atoms too close: (T0299)A5.CA and (T0299)A5.CB only 0.000 apart, marking (T0299)A5.CB as missing WARNING: atoms too close: (T0299)L6.CA and (T0299)L6.CB only 0.000 apart, marking (T0299)L6.CB as missing WARNING: atoms too close: (T0299)I11.CA and (T0299)I11.CB only 0.000 apart, marking (T0299)I11.CB as missing WARNING: atoms too close: (T0299)K16.CA and (T0299)K16.CB only 0.000 apart, marking (T0299)K16.CB as missing WARNING: atoms too close: (T0299)V19.CA and (T0299)V19.CB only 0.000 apart, marking (T0299)V19.CB as missing WARNING: atoms too close: (T0299)L33.CA and (T0299)L33.CB only 0.000 apart, marking (T0299)L33.CB as missing WARNING: atoms too close: (T0299)I45.CA and (T0299)I45.CB only 0.000 apart, marking (T0299)I45.CB as missing WARNING: atoms too close: (T0299)Y68.CA and (T0299)Y68.CB only 0.000 apart, marking (T0299)Y68.CB as missing WARNING: atoms too close: (T0299)P69.CA and (T0299)P69.CB only 0.000 apart, marking (T0299)P69.CB as missing WARNING: atoms too close: (T0299)F70.CA and (T0299)F70.CB only 0.000 apart, marking (T0299)F70.CB as missing WARNING: atoms too close: (T0299)Q72.CA and (T0299)Q72.CB only 0.000 apart, marking (T0299)Q72.CB as missing WARNING: atoms too close: (T0299)F82.CA and (T0299)F82.CB only 0.000 apart, marking (T0299)F82.CB as missing WARNING: atoms too close: (T0299)L89.CA and (T0299)L89.CB only 0.000 apart, marking (T0299)L89.CB as missing WARNING: atoms too close: (T0299)A91.CA and (T0299)A91.CB only 0.000 apart, marking (T0299)A91.CB as missing WARNING: atoms too close: (T0299)L128.CA and (T0299)L128.CB only 0.000 apart, marking (T0299)L128.CB as missing WARNING: atoms too close: (T0299)F130.CA and (T0299)F130.CB only 0.000 apart, marking (T0299)F130.CB as missing WARNING: atoms too close: (T0299)K132.CA and (T0299)K132.CB only 0.000 apart, marking (T0299)K132.CB as missing WARNING: atoms too close: (T0299)L133.CA and (T0299)L133.CB only 0.000 apart, marking (T0299)L133.CB as missing WARNING: atoms too close: (T0299)W137.CA and (T0299)W137.CB only 0.000 apart, marking (T0299)W137.CB as missing WARNING: atoms too close: (T0299)E143.CA and (T0299)E143.CB only 0.000 apart, marking (T0299)E143.CB as missing WARNING: atoms too close: (T0299)Y153.CA and (T0299)Y153.CB only 0.000 apart, marking (T0299)Y153.CB as missing WARNING: atoms too close: (T0299)K156.CA and (T0299)K156.CB only 0.000 apart, marking (T0299)K156.CB as missing # WARNING: incomplete conformation T0299 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1325669296.pdb -s /var/tmp/to_scwrl_1325669296.seq -o /var/tmp/from_scwrl_1325669296.pdb > /var/tmp/scwrl_1325669296.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1325669296.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 WARNING: atoms too close: (T0299)L28.CA and (T0299)L28.CB only 0.000 apart, marking (T0299)L28.CB as missing WARNING: atoms too close: (T0299)T29.CA and (T0299)T29.CB only 0.000 apart, marking (T0299)T29.CB as missing WARNING: atoms too close: (T0299)K35.CA and (T0299)K35.CB only 0.000 apart, marking (T0299)K35.CB as missing WARNING: atoms too close: (T0299)Y39.CA and (T0299)Y39.CB only 0.000 apart, marking (T0299)Y39.CB as missing WARNING: atoms too close: (T0299)S49.CA and (T0299)S49.CB only 0.000 apart, marking (T0299)S49.CB as missing WARNING: atoms too close: (T0299)D51.CA and (T0299)D51.CB only 0.000 apart, marking (T0299)D51.CB as missing WARNING: atoms too close: (T0299)F64.CA and (T0299)F64.CB only 0.000 apart, marking (T0299)F64.CB as missing WARNING: atoms too close: (T0299)V66.CA and (T0299)V66.CB only 0.000 apart, marking (T0299)V66.CB as missing WARNING: atoms too close: (T0299)Y68.CA and (T0299)Y68.CB only 0.000 apart, marking (T0299)Y68.CB as missing WARNING: atoms too close: (T0299)F74.CA and (T0299)F74.CB only 0.000 apart, marking (T0299)F74.CB as missing WARNING: atoms too close: (T0299)L76.CA and (T0299)L76.CB only 0.000 apart, marking (T0299)L76.CB as missing WARNING: atoms too close: (T0299)L79.CA and (T0299)L79.CB only 0.000 apart, marking (T0299)L79.CB as missing WARNING: atoms too close: (T0299)E80.CA and (T0299)E80.CB only 0.000 apart, marking (T0299)E80.CB as missing WARNING: atoms too close: (T0299)E85.CA and (T0299)E85.CB only 0.000 apart, marking (T0299)E85.CB as missing WARNING: atoms too close: (T0299)L86.CA and (T0299)L86.CB only 0.000 apart, marking (T0299)L86.CB as missing WARNING: atoms too close: (T0299)A91.CA and (T0299)A91.CB only 0.000 apart, marking (T0299)A91.CB as missing WARNING: atoms too close: (T0299)S94.CA and (T0299)S94.CB only 0.000 apart, marking (T0299)S94.CB as missing WARNING: atoms too close: (T0299)L103.CA and (T0299)L103.CB only 0.000 apart, marking (T0299)L103.CB as missing WARNING: atoms too close: (T0299)V118.CA and (T0299)V118.CB only 0.000 apart, marking (T0299)V118.CB as missing WARNING: atoms too close: (T0299)E126.CA and (T0299)E126.CB only 0.000 apart, marking (T0299)E126.CB as missing WARNING: atoms too close: (T0299)K139.CA and (T0299)K139.CB only 0.000 apart, marking (T0299)K139.CB as missing WARNING: atoms too close: (T0299)S144.CA and (T0299)S144.CB only 0.000 apart, marking (T0299)S144.CB as missing WARNING: atoms too close: (T0299)L155.CA and (T0299)L155.CB only 0.000 apart, marking (T0299)L155.CB as missing WARNING: atoms too close: (T0299)P158.CA and (T0299)P158.CB only 0.000 apart, marking (T0299)P158.CB as missing WARNING: atoms too close: (T0299)F171.CA and (T0299)F171.CB only 0.000 apart, marking (T0299)F171.CB as missing # WARNING: incomplete conformation T0299 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1558328498.pdb -s /var/tmp/to_scwrl_1558328498.seq -o /var/tmp/from_scwrl_1558328498.pdb > /var/tmp/scwrl_1558328498.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1558328498.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 T0299 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_214775904.pdb -s /var/tmp/to_scwrl_214775904.seq -o /var/tmp/from_scwrl_214775904.pdb > /var/tmp/scwrl_214775904.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_214775904.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 T0299 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_436564055.pdb -s /var/tmp/to_scwrl_436564055.seq -o /var/tmp/from_scwrl_436564055.pdb > /var/tmp/scwrl_436564055.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_436564055.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 T0299 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_2102747460.pdb -s /var/tmp/to_scwrl_2102747460.seq -o /var/tmp/from_scwrl_2102747460.pdb > /var/tmp/scwrl_2102747460.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2102747460.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 T0299 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1864695955.pdb -s /var/tmp/to_scwrl_1864695955.seq -o /var/tmp/from_scwrl_1864695955.pdb > /var/tmp/scwrl_1864695955.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1864695955.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 # WARNING: incomplete conformation T0299 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_2029842697.pdb -s /var/tmp/to_scwrl_2029842697.seq -o /var/tmp/from_scwrl_2029842697.pdb > /var/tmp/scwrl_2029842697.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2029842697.pdb # conformation set from SCWRL output # naming current conformation SAM-T02_AL5-scwrl # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS1.pdb.gz looking for model 1 # Found a chain break before 165 # copying to AlignedFragments data structure # naming current conformation SAM_T06_server_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_2112636082.pdb -s /var/tmp/to_scwrl_2112636082.seq -o /var/tmp/from_scwrl_2112636082.pdb > /var/tmp/scwrl_2112636082.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2112636082.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 T0299 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_331091261.pdb -s /var/tmp/to_scwrl_331091261.seq -o /var/tmp/from_scwrl_331091261.pdb > /var/tmp/scwrl_331091261.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_331091261.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 T0299 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_640975054.pdb -s /var/tmp/to_scwrl_640975054.seq -o /var/tmp/from_scwrl_640975054.pdb > /var/tmp/scwrl_640975054.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_640975054.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 T0299 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1044358113.pdb -s /var/tmp/to_scwrl_1044358113.seq -o /var/tmp/from_scwrl_1044358113.pdb > /var/tmp/scwrl_1044358113.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1044358113.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 T0299 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_283091391.pdb -s /var/tmp/to_scwrl_283091391.seq -o /var/tmp/from_scwrl_283091391.pdb > /var/tmp/scwrl_283091391.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_283091391.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 161 # copying to AlignedFragments data structure # naming current conformation SP3_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1014939345.pdb -s /var/tmp/to_scwrl_1014939345.seq -o /var/tmp/from_scwrl_1014939345.pdb > /var/tmp/scwrl_1014939345.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1014939345.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 172 # copying to AlignedFragments data structure # naming current conformation SP3_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1639126175.pdb -s /var/tmp/to_scwrl_1639126175.seq -o /var/tmp/from_scwrl_1639126175.pdb > /var/tmp/scwrl_1639126175.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1639126175.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 98 # copying to AlignedFragments data structure # naming current conformation SP3_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1874413665.pdb -s /var/tmp/to_scwrl_1874413665.seq -o /var/tmp/from_scwrl_1874413665.pdb > /var/tmp/scwrl_1874413665.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1874413665.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 157 # copying to AlignedFragments data structure # naming current conformation SP3_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_975455746.pdb -s /var/tmp/to_scwrl_975455746.seq -o /var/tmp/from_scwrl_975455746.pdb > /var/tmp/scwrl_975455746.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_975455746.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 148 # copying to AlignedFragments data structure # naming current conformation SP3_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1081547907.pdb -s /var/tmp/to_scwrl_1081547907.seq -o /var/tmp/from_scwrl_1081547907.pdb > /var/tmp/scwrl_1081547907.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1081547907.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 146 # copying to AlignedFragments data structure # naming current conformation SP4_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1789873608.pdb -s /var/tmp/to_scwrl_1789873608.seq -o /var/tmp/from_scwrl_1789873608.pdb > /var/tmp/scwrl_1789873608.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1789873608.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 134 # copying to AlignedFragments data structure # naming current conformation SP4_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1394314207.pdb -s /var/tmp/to_scwrl_1394314207.seq -o /var/tmp/from_scwrl_1394314207.pdb > /var/tmp/scwrl_1394314207.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1394314207.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 175 # copying to AlignedFragments data structure # naming current conformation SP4_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1715476135.pdb -s /var/tmp/to_scwrl_1715476135.seq -o /var/tmp/from_scwrl_1715476135.pdb > /var/tmp/scwrl_1715476135.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1715476135.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 157 # copying to AlignedFragments data structure # naming current conformation SP4_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1255333391.pdb -s /var/tmp/to_scwrl_1255333391.seq -o /var/tmp/from_scwrl_1255333391.pdb > /var/tmp/scwrl_1255333391.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1255333391.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 90 # copying to AlignedFragments data structure # naming current conformation SP4_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1581311577.pdb -s /var/tmp/to_scwrl_1581311577.seq -o /var/tmp/from_scwrl_1581311577.pdb > /var/tmp/scwrl_1581311577.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1581311577.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 175 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_566038133.pdb -s /var/tmp/to_scwrl_566038133.seq -o /var/tmp/from_scwrl_566038133.pdb > /var/tmp/scwrl_566038133.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_566038133.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 155 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_2000372216.pdb -s /var/tmp/to_scwrl_2000372216.seq -o /var/tmp/from_scwrl_2000372216.pdb > /var/tmp/scwrl_2000372216.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2000372216.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 105 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1421709660.pdb -s /var/tmp/to_scwrl_1421709660.seq -o /var/tmp/from_scwrl_1421709660.pdb > /var/tmp/scwrl_1421709660.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1421709660.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 148 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_611350801.pdb -s /var/tmp/to_scwrl_611350801.seq -o /var/tmp/from_scwrl_611350801.pdb > /var/tmp/scwrl_611350801.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_611350801.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 103 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_479698486.pdb -s /var/tmp/to_scwrl_479698486.seq -o /var/tmp/from_scwrl_479698486.pdb > /var/tmp/scwrl_479698486.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_479698486.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 T0299 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_966862549.pdb -s /var/tmp/to_scwrl_966862549.seq -o /var/tmp/from_scwrl_966862549.pdb > /var/tmp/scwrl_966862549.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_966862549.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 T0299 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1563698335.pdb -s /var/tmp/to_scwrl_1563698335.seq -o /var/tmp/from_scwrl_1563698335.pdb > /var/tmp/scwrl_1563698335.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1563698335.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 T0299 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_696808533.pdb -s /var/tmp/to_scwrl_696808533.seq -o /var/tmp/from_scwrl_696808533.pdb > /var/tmp/scwrl_696808533.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_696808533.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 T0299 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_103778041.pdb -s /var/tmp/to_scwrl_103778041.seq -o /var/tmp/from_scwrl_103778041.pdb > /var/tmp/scwrl_103778041.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_103778041.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 T0299 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_741883986.pdb -s /var/tmp/to_scwrl_741883986.seq -o /var/tmp/from_scwrl_741883986.pdb > /var/tmp/scwrl_741883986.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_741883986.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 T0299 can't currently be optimized by undertaker # naming current conformation UNI-EID_expm_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_107653384.pdb -s /var/tmp/to_scwrl_107653384.seq -o /var/tmp/from_scwrl_107653384.pdb > /var/tmp/scwrl_107653384.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_107653384.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 T0299 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_318553945.pdb -s /var/tmp/to_scwrl_318553945.seq -o /var/tmp/from_scwrl_318553945.pdb > /var/tmp/scwrl_318553945.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_318553945.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 T0299 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1178448040.pdb -s /var/tmp/to_scwrl_1178448040.seq -o /var/tmp/from_scwrl_1178448040.pdb > /var/tmp/scwrl_1178448040.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1178448040.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 T0299 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_62917198.pdb -s /var/tmp/to_scwrl_62917198.seq -o /var/tmp/from_scwrl_62917198.pdb > /var/tmp/scwrl_62917198.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_62917198.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 T0299 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_35766253.pdb -s /var/tmp/to_scwrl_35766253.seq -o /var/tmp/from_scwrl_35766253.pdb > /var/tmp/scwrl_35766253.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_35766253.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 T0299 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1060807091.pdb -s /var/tmp/to_scwrl_1060807091.seq -o /var/tmp/from_scwrl_1060807091.pdb > /var/tmp/scwrl_1060807091.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1060807091.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 166 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_28069633.pdb -s /var/tmp/to_scwrl_28069633.seq -o /var/tmp/from_scwrl_28069633.pdb > /var/tmp/scwrl_28069633.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_28069633.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 167 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_366857514.pdb -s /var/tmp/to_scwrl_366857514.seq -o /var/tmp/from_scwrl_366857514.pdb > /var/tmp/scwrl_366857514.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_366857514.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 174 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1701782145.pdb -s /var/tmp/to_scwrl_1701782145.seq -o /var/tmp/from_scwrl_1701782145.pdb > /var/tmp/scwrl_1701782145.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1701782145.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 167 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1072427746.pdb -s /var/tmp/to_scwrl_1072427746.seq -o /var/tmp/from_scwrl_1072427746.pdb > /var/tmp/scwrl_1072427746.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1072427746.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 177 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_649948906.pdb -s /var/tmp/to_scwrl_649948906.seq -o /var/tmp/from_scwrl_649948906.pdb > /var/tmp/scwrl_649948906.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_649948906.pdb # conformation set from SCWRL output # naming current conformation Zhang-Server_TS5-scwrl # ReadConformPDB reading from PDB file servers/beautshot_TS1.pdb.gz looking for model 1 # Found a chain break before 174 # copying to AlignedFragments data structure # naming current conformation beautshot_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_569237843.pdb -s /var/tmp/to_scwrl_569237843.seq -o /var/tmp/from_scwrl_569237843.pdb > /var/tmp/scwrl_569237843.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_569237843.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 # Found a chain break before 174 # copying to AlignedFragments data structure # naming current conformation beautshotbase_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_564070275.pdb -s /var/tmp/to_scwrl_564070275.seq -o /var/tmp/from_scwrl_564070275.pdb > /var/tmp/scwrl_564070275.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_564070275.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 T0299 can't currently be optimized by undertaker # naming current conformation forecast-s_AL1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_376878924.pdb -s /var/tmp/to_scwrl_376878924.seq -o /var/tmp/from_scwrl_376878924.pdb > /var/tmp/scwrl_376878924.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_376878924.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 T0299 can't currently be optimized by undertaker # naming current conformation forecast-s_AL2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1544693588.pdb -s /var/tmp/to_scwrl_1544693588.seq -o /var/tmp/from_scwrl_1544693588.pdb > /var/tmp/scwrl_1544693588.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1544693588.pdb # conformation set from SCWRL output # naming current conformation forecast-s_AL2-scwrl # ReadConformPDB reading from PDB file servers/forecast-s_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0299 can't currently be optimized by undertaker # naming current conformation forecast-s_AL3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1645618182.pdb -s /var/tmp/to_scwrl_1645618182.seq -o /var/tmp/from_scwrl_1645618182.pdb > /var/tmp/scwrl_1645618182.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1645618182.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 Skipped atom 5, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL4.pdb.gz # WARNING: incomplete conformation T0299 can't currently be optimized by undertaker # naming current conformation forecast-s_AL4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_19268885.pdb -s /var/tmp/to_scwrl_19268885.seq -o /var/tmp/from_scwrl_19268885.pdb > /var/tmp/scwrl_19268885.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_19268885.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 T0299 can't currently be optimized by undertaker # naming current conformation forecast-s_AL5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_791524149.pdb -s /var/tmp/to_scwrl_791524149.seq -o /var/tmp/from_scwrl_791524149.pdb > /var/tmp/scwrl_791524149.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_791524149.pdb # conformation set from SCWRL output # naming current conformation forecast-s_AL5-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS1.pdb.gz looking for model 1 # Found a chain break before 173 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1213610670.pdb -s /var/tmp/to_scwrl_1213610670.seq -o /var/tmp/from_scwrl_1213610670.pdb > /var/tmp/scwrl_1213610670.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1213610670.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 161 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1274602276.pdb -s /var/tmp/to_scwrl_1274602276.seq -o /var/tmp/from_scwrl_1274602276.pdb > /var/tmp/scwrl_1274602276.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1274602276.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 157 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_225352080.pdb -s /var/tmp/to_scwrl_225352080.seq -o /var/tmp/from_scwrl_225352080.pdb > /var/tmp/scwrl_225352080.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_225352080.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 177 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1779648803.pdb -s /var/tmp/to_scwrl_1779648803.seq -o /var/tmp/from_scwrl_1779648803.pdb > /var/tmp/scwrl_1779648803.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1779648803.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 174 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1127490845.pdb -s /var/tmp/to_scwrl_1127490845.seq -o /var/tmp/from_scwrl_1127490845.pdb > /var/tmp/scwrl_1127490845.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1127490845.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 # Found a chain break before 178 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1647061740.pdb -s /var/tmp/to_scwrl_1647061740.seq -o /var/tmp/from_scwrl_1647061740.pdb > /var/tmp/scwrl_1647061740.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1647061740.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 177 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_243515958.pdb -s /var/tmp/to_scwrl_243515958.seq -o /var/tmp/from_scwrl_243515958.pdb > /var/tmp/scwrl_243515958.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_243515958.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: (T0299)G131.O and (T0299)K132.N only 0.000 apart, marking (T0299)K132.N as missing # WARNING: incomplete conformation T0299 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 162 ; scwrl3 -i /var/tmp/to_scwrl_1607189332.pdb -s /var/tmp/to_scwrl_1607189332.seq -o /var/tmp/from_scwrl_1607189332.pdb > /var/tmp/scwrl_1607189332.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1607189332.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 # Found a chain break before 177 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_466440642.pdb -s /var/tmp/to_scwrl_466440642.seq -o /var/tmp/from_scwrl_466440642.pdb > /var/tmp/scwrl_466440642.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_466440642.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 # Found a chain break before 179 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1807214293.pdb -s /var/tmp/to_scwrl_1807214293.seq -o /var/tmp/from_scwrl_1807214293.pdb > /var/tmp/scwrl_1807214293.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1807214293.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS5-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0299 can't currently be optimized by undertaker # naming current conformation keasar-server_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_156514218.pdb -s /var/tmp/to_scwrl_156514218.seq -o /var/tmp/from_scwrl_156514218.pdb > /var/tmp/scwrl_156514218.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_156514218.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 T0299 can't currently be optimized by undertaker # naming current conformation keasar-server_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_570218683.pdb -s /var/tmp/to_scwrl_570218683.seq -o /var/tmp/from_scwrl_570218683.pdb > /var/tmp/scwrl_570218683.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_570218683.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 T0299 can't currently be optimized by undertaker # naming current conformation keasar-server_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_401614632.pdb -s /var/tmp/to_scwrl_401614632.seq -o /var/tmp/from_scwrl_401614632.pdb > /var/tmp/scwrl_401614632.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_401614632.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 T0299 can't currently be optimized by undertaker # naming current conformation keasar-server_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_264167602.pdb -s /var/tmp/to_scwrl_264167602.seq -o /var/tmp/from_scwrl_264167602.pdb > /var/tmp/scwrl_264167602.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_264167602.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 T0299 can't currently be optimized by undertaker # naming current conformation keasar-server_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_888772628.pdb -s /var/tmp/to_scwrl_888772628.seq -o /var/tmp/from_scwrl_888772628.pdb > /var/tmp/scwrl_888772628.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_888772628.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 T0299 can't currently be optimized by undertaker # naming current conformation mGen-3D_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1580062672.pdb -s /var/tmp/to_scwrl_1580062672.seq -o /var/tmp/from_scwrl_1580062672.pdb > /var/tmp/scwrl_1580062672.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1580062672.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 T0299 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation nFOLD_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_327084800.pdb -s /var/tmp/to_scwrl_327084800.seq -o /var/tmp/from_scwrl_327084800.pdb > /var/tmp/scwrl_327084800.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_327084800.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 T0299 can't currently be optimized by undertaker # naming current conformation nFOLD_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_924538882.pdb -s /var/tmp/to_scwrl_924538882.seq -o /var/tmp/from_scwrl_924538882.pdb > /var/tmp/scwrl_924538882.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_924538882.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 T0299 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation nFOLD_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_493386117.pdb -s /var/tmp/to_scwrl_493386117.seq -o /var/tmp/from_scwrl_493386117.pdb > /var/tmp/scwrl_493386117.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_493386117.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 T0299 can't currently be optimized by undertaker # naming current conformation nFOLD_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_355154433.pdb -s /var/tmp/to_scwrl_355154433.seq -o /var/tmp/from_scwrl_355154433.pdb > /var/tmp/scwrl_355154433.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_355154433.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 T0299 can't currently be optimized by undertaker # naming current conformation nFOLD_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1291396395.pdb -s /var/tmp/to_scwrl_1291396395.seq -o /var/tmp/from_scwrl_1291396395.pdb > /var/tmp/scwrl_1291396395.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1291396395.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 T0299 can't currently be optimized by undertaker # naming current conformation panther2_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_47684615.pdb -s /var/tmp/to_scwrl_47684615.seq -o /var/tmp/from_scwrl_47684615.pdb > /var/tmp/scwrl_47684615.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_47684615.pdb # conformation set from SCWRL output # naming current conformation panther2_TS1-scwrl # ReadConformPDB reading from PDB file servers/shub_TS1.pdb.gz looking for model 1 # Found a chain break before 169 # copying to AlignedFragments data structure # naming current conformation shub_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1427582179.pdb -s /var/tmp/to_scwrl_1427582179.seq -o /var/tmp/from_scwrl_1427582179.pdb > /var/tmp/scwrl_1427582179.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1427582179.pdb # conformation set from SCWRL output # naming current conformation shub_TS1-scwrl # command:CPU_time= 34.6487 sec, elapsed time= 406.062 sec) # command:# Prefix for output files set to decoys/ # command:# Will now start reporting costs to decoys/evaluate_2.rdb # command:# CostConform Warning: Couldn't open file decoys//projects/compbio/experiments/undertaker/spots/near-backbone-center.spot or decoys//projects/compbio/experiments/undertaker/spots/near-backbone-center.spot.gz for input Trying /projects/compbio/experiments/undertaker/spots/near-backbone-center.spot # Reading spots from /projects/compbio/experiments/undertaker/spots/near-backbone-center.spot shub_TS1-scwrl costs 0 real_cost = 294.538 shub_TS1 costs 0 real_cost = 296.565 panther2_TS1-scwrl costs 0 real_cost = 926.866 panther2_TS1 costs 0 real_cost = 924.866 nFOLD_TS5-scwrl costs 0 real_cost = 244.875 nFOLD_TS5 costs 0 real_cost = 332.053 nFOLD_TS4-scwrl costs 0 real_cost = 259.214 nFOLD_TS4 costs 0 real_cost = 363.636 nFOLD_TS3-scwrl costs 0 real_cost = 396.003 nFOLD_TS3 costs 0 real_cost = 396.003 nFOLD_TS2-scwrl costs 0 real_cost = 246.9 nFOLD_TS2 costs 0 real_cost = 352.611 nFOLD_TS1-scwrl costs 0 real_cost = 375.888 nFOLD_TS1 costs 0 real_cost = 375.891 mGen-3D_TS1-scwrl costs 0 real_cost = 291.105 mGen-3D_TS1 costs 0 real_cost = 391.276 keasar-server_TS5-scwrl costs 0 real_cost = 425.861 keasar-server_TS5 costs 0 real_cost = 428.588 keasar-server_TS4-scwrl costs 0 real_cost = 403.551 keasar-server_TS4 costs 0 real_cost = 403.448 keasar-server_TS3-scwrl costs 0 real_cost = 316.756 keasar-server_TS3 costs 0 real_cost = 316.438 keasar-server_TS2-scwrl costs 0 real_cost = 330.553 keasar-server_TS2 costs 0 real_cost = 326.357 keasar-server_TS1-scwrl costs 0 real_cost = 344.432 keasar-server_TS1 costs 0 real_cost = 345.985 karypis.srv.4_TS5-scwrl costs 0 real_cost = 294.871 karypis.srv.4_TS5 costs 0 real_cost = 297.241 karypis.srv.4_TS4-scwrl costs 0 real_cost = 288.756 karypis.srv.4_TS4 costs 0 real_cost = 288.753 karypis.srv.4_TS3-scwrl costs 0 real_cost = 289.591 karypis.srv.4_TS3 costs 0 real_cost = 291.356 karypis.srv.4_TS2-scwrl costs 0 real_cost = 271.978 karypis.srv.4_TS2 costs 0 real_cost = 271.978 karypis.srv.4_TS1-scwrl costs 0 real_cost = 298.075 karypis.srv.4_TS1 costs 0 real_cost = 298.075 karypis.srv.2_TS5-scwrl costs 0 real_cost = 246.392 karypis.srv.2_TS5 costs 0 real_cost = 246.392 karypis.srv.2_TS4-scwrl costs 0 real_cost = 236.647 karypis.srv.2_TS4 costs 0 real_cost = 236.647 karypis.srv.2_TS3-scwrl costs 0 real_cost = 256.718 karypis.srv.2_TS3 costs 0 real_cost = 256.709 karypis.srv.2_TS2-scwrl costs 0 real_cost = 243.267 karypis.srv.2_TS2 costs 0 real_cost = 243.267 karypis.srv.2_TS1-scwrl costs 0 real_cost = 244.996 karypis.srv.2_TS1 costs 0 real_cost = 244.996 forecast-s_AL5-scwrl costs 0 real_cost = 340.153 forecast-s_AL5 costs 0 real_cost = 407.62 forecast-s_AL4-scwrl costs 0 real_cost = 319.232 forecast-s_AL4 costs 0 real_cost = 417.551 forecast-s_AL3-scwrl costs 0 real_cost = 420.917 forecast-s_AL3 costs 0 real_cost = 486.792 forecast-s_AL2-scwrl costs 0 real_cost = 301.345 forecast-s_AL2 costs 0 real_cost = 404.56 forecast-s_AL1-scwrl costs 0 real_cost = 385.401 forecast-s_AL1 costs 0 real_cost = 491.299 beautshotbase_TS1-scwrl costs 0 real_cost = 253.357 beautshotbase_TS1 costs 0 real_cost = 245.594 beautshot_TS1-scwrl costs 0 real_cost = 273.791 beautshot_TS1 costs 0 real_cost = 275.201 Zhang-Server_TS5-scwrl costs 0 real_cost = 209.026 Zhang-Server_TS5 costs 0 real_cost = 218.62 Zhang-Server_TS4-scwrl costs 0 real_cost = 208.21 Zhang-Server_TS4 costs 0 real_cost = 227.655 Zhang-Server_TS3-scwrl costs 0 real_cost = 248.176 Zhang-Server_TS3 costs 0 real_cost = 251.604 Zhang-Server_TS2-scwrl costs 0 real_cost = 255.416 Zhang-Server_TS2 costs 0 real_cost = 259.978 Zhang-Server_TS1-scwrl costs 0 real_cost = 199.448 Zhang-Server_TS1 costs 0 real_cost = 200.885 UNI-EID_sfst_AL5-scwrl costs 0 real_cost = 359.106 UNI-EID_sfst_AL5 costs 0 real_cost = 443.338 UNI-EID_sfst_AL4-scwrl costs 0 real_cost = 396.243 UNI-EID_sfst_AL4 costs 0 real_cost = 462.921 UNI-EID_sfst_AL3-scwrl costs 0 real_cost = 904.266 UNI-EID_sfst_AL3 costs 0 real_cost = 938.266 UNI-EID_sfst_AL2-scwrl costs 0 real_cost = 305.029 UNI-EID_sfst_AL2 costs 0 real_cost = 374.256 UNI-EID_sfst_AL1-scwrl costs 0 real_cost = 369.715 UNI-EID_sfst_AL1 costs 0 real_cost = 448.477 UNI-EID_expm_TS1-scwrl costs 0 real_cost = 385.755 UNI-EID_expm_TS1 costs 0 real_cost = 458.075 UNI-EID_bnmx_TS5-scwrl costs 0 real_cost = 402.561 UNI-EID_bnmx_TS5 costs 0 real_cost = 484.861 UNI-EID_bnmx_TS4-scwrl costs 0 real_cost = 420.468 UNI-EID_bnmx_TS4 costs 0 real_cost = 492.051 UNI-EID_bnmx_TS3-scwrl costs 0 real_cost = 432.704 UNI-EID_bnmx_TS3 costs 0 real_cost = 493.646 UNI-EID_bnmx_TS2-scwrl costs 0 real_cost = 378.802 UNI-EID_bnmx_TS2 costs 0 real_cost = 479.931 UNI-EID_bnmx_TS1-scwrl costs 0 real_cost = 360.386 UNI-EID_bnmx_TS1 costs 0 real_cost = 452.703 SPARKS2_TS5-scwrl costs 0 real_cost = 260.413 SPARKS2_TS5 costs 0 real_cost = 261.057 SPARKS2_TS4-scwrl costs 0 real_cost = 227.204 SPARKS2_TS4 costs 0 real_cost = 232.529 SPARKS2_TS3-scwrl costs 0 real_cost = 257.069 SPARKS2_TS3 costs 0 real_cost = 264.95 SPARKS2_TS2-scwrl costs 0 real_cost = 276.535 SPARKS2_TS2 costs 0 real_cost = 278.463 SPARKS2_TS1-scwrl costs 0 real_cost = 267.623 SPARKS2_TS1 costs 0 real_cost = 272.966 SP4_TS5-scwrl costs 0 real_cost = 252.901 SP4_TS5 costs 0 real_cost = 254.117 SP4_TS4-scwrl costs 0 real_cost = 286.715 SP4_TS4 costs 0 real_cost = 286.517 SP4_TS3-scwrl costs 0 real_cost = 264.103 SP4_TS3 costs 0 real_cost = 268.456 SP4_TS2-scwrl costs 0 real_cost = 226.243 SP4_TS2 costs 0 real_cost = 223.253 SP4_TS1-scwrl costs 0 real_cost = 271.192 SP4_TS1 costs 0 real_cost = 274.267 SP3_TS5-scwrl costs 0 real_cost = 244.859 SP3_TS5 costs 0 real_cost = 243.941 SP3_TS4-scwrl costs 0 real_cost = 220.963 SP3_TS4 costs 0 real_cost = 224.295 SP3_TS3-scwrl costs 0 real_cost = 253.807 SP3_TS3 costs 0 real_cost = 250.923 SP3_TS2-scwrl costs 0 real_cost = 275.232 SP3_TS2 costs 0 real_cost = 279.114 SP3_TS1-scwrl costs 0 real_cost = 238.176 SP3_TS1 costs 0 real_cost = 246.981 SAM_T06_server_TS5-scwrl costs 0 real_cost = 410.804 SAM_T06_server_TS5 costs 0 real_cost = 379.31 SAM_T06_server_TS4-scwrl costs 0 real_cost = 380.122 SAM_T06_server_TS4 costs 0 real_cost = 354.342 SAM_T06_server_TS3-scwrl costs 0 real_cost = 410.022 SAM_T06_server_TS3 costs 0 real_cost = 382.626 SAM_T06_server_TS2-scwrl costs 0 real_cost = 353.501 SAM_T06_server_TS2 costs 0 real_cost = 311.966 SAM_T06_server_TS1-scwrl costs 0 real_cost = 277.573 SAM_T06_server_TS1 costs 0 real_cost = 274.837 SAM-T02_AL5-scwrl costs 0 real_cost = 390.818 SAM-T02_AL5 costs 0 real_cost = 453.278 SAM-T02_AL4-scwrl costs 0 real_cost = 427.163 SAM-T02_AL4 costs 0 real_cost = 475.643 SAM-T02_AL3-scwrl costs 0 real_cost = 429.158 SAM-T02_AL3 costs 0 real_cost = 515.722 SAM-T02_AL2-scwrl costs 0 real_cost = 379.533 SAM-T02_AL2 costs 0 real_cost = 496.417 SAM-T02_AL1-scwrl costs 0 real_cost = 404.934 SAM-T02_AL1 costs 0 real_cost = 465.418 ROKKY_TS5-scwrl costs 0 real_cost = 186.374 ROKKY_TS5 costs 0 real_cost = 296.923 ROKKY_TS4-scwrl costs 0 real_cost = 208.92 ROKKY_TS4 costs 0 real_cost = 316.881 ROKKY_TS3-scwrl costs 0 real_cost = 228.043 ROKKY_TS3 costs 0 real_cost = 336.149 ROKKY_TS2-scwrl costs 0 real_cost = 204.323 ROKKY_TS2 costs 0 real_cost = 318.095 ROKKY_TS1-scwrl costs 0 real_cost = 189.002 ROKKY_TS1 costs 0 real_cost = 305.219 ROBETTA_TS5-scwrl costs 0 real_cost = 165.861 ROBETTA_TS5 costs 0 real_cost = 171.455 ROBETTA_TS4-scwrl costs 0 real_cost = 246.37 ROBETTA_TS4 costs 0 real_cost = 247.319 ROBETTA_TS3-scwrl costs 0 real_cost = 160.801 ROBETTA_TS3 costs 0 real_cost = 160.743 ROBETTA_TS2-scwrl costs 0 real_cost = 232.476 ROBETTA_TS2 costs 0 real_cost = 236.082 ROBETTA_TS1-scwrl costs 0 real_cost = 162.937 ROBETTA_TS1 costs 0 real_cost = 164.57 RAPTOR_TS5-scwrl costs 0 real_cost = 239.663 RAPTOR_TS5 costs 0 real_cost = 245.935 RAPTOR_TS4-scwrl costs 0 real_cost = 252.489 RAPTOR_TS4 costs 0 real_cost = 254.852 RAPTOR_TS3-scwrl costs 0 real_cost = 239.821 RAPTOR_TS3 costs 0 real_cost = 241.665 RAPTOR_TS2-scwrl costs 0 real_cost = 248.478 RAPTOR_TS2 costs 0 real_cost = 253.268 RAPTOR_TS1-scwrl costs 0 real_cost = 228.952 RAPTOR_TS1 costs 0 real_cost = 233.057 RAPTORESS_TS5-scwrl costs 0 real_cost = 272.483 RAPTORESS_TS5 costs 0 real_cost = 278.642 RAPTORESS_TS4-scwrl costs 0 real_cost = 257.319 RAPTORESS_TS4 costs 0 real_cost = 260.923 RAPTORESS_TS3-scwrl costs 0 real_cost = 235.554 RAPTORESS_TS3 costs 0 real_cost = 240.629 RAPTORESS_TS2-scwrl costs 0 real_cost = 235.359 RAPTORESS_TS2 costs 0 real_cost = 243.612 RAPTORESS_TS1-scwrl costs 0 real_cost = 282.684 RAPTORESS_TS1 costs 0 real_cost = 288.32 RAPTOR-ACE_TS5-scwrl costs 0 real_cost = 284.002 RAPTOR-ACE_TS5 costs 0 real_cost = 277.805 RAPTOR-ACE_TS4-scwrl costs 0 real_cost = 259.659 RAPTOR-ACE_TS4 costs 0 real_cost = 257.334 RAPTOR-ACE_TS3-scwrl costs 0 real_cost = 275.187 RAPTOR-ACE_TS3 costs 0 real_cost = 271.223 RAPTOR-ACE_TS2-scwrl costs 0 real_cost = 276.727 RAPTOR-ACE_TS2 costs 0 real_cost = 278.187 RAPTOR-ACE_TS1-scwrl costs 0 real_cost = 290.922 RAPTOR-ACE_TS1 costs 0 real_cost = 288.255 Pmodeller6_TS5-scwrl costs 0 real_cost = 234.869 Pmodeller6_TS5 costs 0 real_cost = 236.237 Pmodeller6_TS4-scwrl costs 0 real_cost = 244.221 Pmodeller6_TS4 costs 0 real_cost = 244.216 Pmodeller6_TS3-scwrl costs 0 real_cost = 224.036 Pmodeller6_TS3 costs 0 real_cost = 227.248 Pmodeller6_TS2-scwrl costs 0 real_cost = 223.337 Pmodeller6_TS2 costs 0 real_cost = 224.911 Pmodeller6_TS1-scwrl costs 0 real_cost = 162.937 Pmodeller6_TS1 costs 0 real_cost = 164.57 Phyre-2_TS5-scwrl costs 0 real_cost = 318.347 Phyre-2_TS5 costs 0 real_cost = 317.595 Phyre-2_TS4-scwrl costs 0 real_cost = 332.284 Phyre-2_TS4 costs 0 real_cost = 332.318 Phyre-2_TS3-scwrl costs 0 real_cost = 336.44 Phyre-2_TS3 costs 0 real_cost = 336.518 Phyre-2_TS2-scwrl costs 0 real_cost = 347.834 Phyre-2_TS2 costs 0 real_cost = 350.366 Phyre-2_TS1-scwrl costs 0 real_cost = 334.158 Phyre-2_TS1 costs 0 real_cost = 331.627 Phyre-1_TS1-scwrl costs 0 real_cost = 866.866 Phyre-1_TS1 costs 0 real_cost = 865.466 Pcons6_TS5-scwrl costs 0 real_cost = 246.37 Pcons6_TS5 costs 0 real_cost = 247.319 Pcons6_TS4-scwrl costs 0 real_cost = 223.337 Pcons6_TS4 costs 0 real_cost = 224.911 Pcons6_TS3-scwrl costs 0 real_cost = 244.221 Pcons6_TS3 costs 0 real_cost = 244.216 Pcons6_TS2-scwrl costs 0 real_cost = 224.036 Pcons6_TS2 costs 0 real_cost = 227.248 Pcons6_TS1-scwrl costs 0 real_cost = 306.272 Pcons6_TS1 costs 0 real_cost = 301.954 PROTINFO_TS5-scwrl costs 0 real_cost = 343.344 PROTINFO_TS5 costs 0 real_cost = 344.456 PROTINFO_TS4-scwrl costs 0 real_cost = 268.751 PROTINFO_TS4 costs 0 real_cost = 267.714 PROTINFO_TS3-scwrl costs 0 real_cost = 856.466 PROTINFO_TS3 costs 0 real_cost = 855.266 PROTINFO_TS2-scwrl costs 0 real_cost = 259.319 PROTINFO_TS2 costs 0 real_cost = 255.29 PROTINFO_TS1-scwrl costs 0 real_cost = 856.466 PROTINFO_TS1 costs 0 real_cost = 855.266 PROTINFO-AB_TS5-scwrl costs 0 real_cost = 245.902 PROTINFO-AB_TS5 costs 0 real_cost = 253.115 PROTINFO-AB_TS4-scwrl costs 0 real_cost = 268.751 PROTINFO-AB_TS4 costs 0 real_cost = 267.714 PROTINFO-AB_TS3-scwrl costs 0 real_cost = 286.315 PROTINFO-AB_TS3 costs 0 real_cost = 284.684 PROTINFO-AB_TS2-scwrl costs 0 real_cost = 259.319 PROTINFO-AB_TS2 costs 0 real_cost = 255.29 PROTINFO-AB_TS1-scwrl costs 0 real_cost = 274.02 PROTINFO-AB_TS1 costs 0 real_cost = 258.919 NN_PUT_lab_TS1-scwrl costs 0 real_cost = 251.437 NN_PUT_lab_TS1 costs 0 real_cost = 256.446 MetaTasser_TS5-scwrl costs 0 real_cost = 227.353 MetaTasser_TS5 costs 0 real_cost = 228.207 MetaTasser_TS4-scwrl costs 0 real_cost = 218.75 MetaTasser_TS4 costs 0 real_cost = 228.157 MetaTasser_TS3-scwrl costs 0 real_cost = 245.677 MetaTasser_TS3 costs 0 real_cost = 246.709 MetaTasser_TS2-scwrl costs 0 real_cost = 223.427 MetaTasser_TS2 costs 0 real_cost = 230.584 MetaTasser_TS1-scwrl costs 0 real_cost = 231.042 MetaTasser_TS1 costs 0 real_cost = 237.364 Ma-OPUS-server_TS5-scwrl costs 0 real_cost = 228.036 Ma-OPUS-server_TS5 costs 0 real_cost = 228.002 Ma-OPUS-server_TS4-scwrl costs 0 real_cost = 235.763 Ma-OPUS-server_TS4 costs 0 real_cost = 235.106 Ma-OPUS-server_TS3-scwrl costs 0 real_cost = 245.364 Ma-OPUS-server_TS3 costs 0 real_cost = 246.072 Ma-OPUS-server_TS2-scwrl costs 0 real_cost = 236.442 Ma-OPUS-server_TS2 costs 0 real_cost = 233.291 Ma-OPUS-server_TS1-scwrl costs 0 real_cost = 239.643 Ma-OPUS-server_TS1 costs 0 real_cost = 245.023 MIG_FROST_AL1-scwrl costs 0 real_cost = 579 MIG_FROST_AL1 costs 0 real_cost = 557.325 LOOPP_TS5-scwrl costs 0 real_cost = 296.445 LOOPP_TS5 costs 0 real_cost = 297.295 LOOPP_TS4-scwrl costs 0 real_cost = 253.719 LOOPP_TS4 costs 0 real_cost = 256.988 LOOPP_TS3-scwrl costs 0 real_cost = 243.801 LOOPP_TS3 costs 0 real_cost = 251.588 LOOPP_TS2-scwrl costs 0 real_cost = 250.116 LOOPP_TS2 costs 0 real_cost = 250.47 LOOPP_TS1-scwrl costs 0 real_cost = 251.437 LOOPP_TS1 costs 0 real_cost = 256.446 Huber-Torda-Server_TS5-scwrl costs 0 real_cost = 416.796 Huber-Torda-Server_TS5 costs 0 real_cost = 430.462 Huber-Torda-Server_TS4-scwrl costs 0 real_cost = 313.845 Huber-Torda-Server_TS4 costs 0 real_cost = 389.246 Huber-Torda-Server_TS3-scwrl costs 0 real_cost = 362.289 Huber-Torda-Server_TS3 costs 0 real_cost = 412.323 Huber-Torda-Server_TS2-scwrl costs 0 real_cost = 318.325 Huber-Torda-Server_TS2 costs 0 real_cost = 389.291 Huber-Torda-Server_TS1-scwrl costs 0 real_cost = 337.657 Huber-Torda-Server_TS1 costs 0 real_cost = 414.393 HHpred3_TS1-scwrl costs 0 real_cost = 237.203 HHpred3_TS1 costs 0 real_cost = 244.581 HHpred2_TS1-scwrl costs 0 real_cost = 432.538 HHpred2_TS1 costs 0 real_cost = 432.58 HHpred1_TS1-scwrl costs 0 real_cost = 433 HHpred1_TS1 costs 0 real_cost = 433.106 GeneSilicoMetaServer_TS5-scwrl costs 0 real_cost = 324.4 GeneSilicoMetaServer_TS5 costs 0 real_cost = 324.069 GeneSilicoMetaServer_TS4-scwrl costs 0 real_cost = 266.52 GeneSilicoMetaServer_TS4 costs 0 real_cost = 271.333 GeneSilicoMetaServer_TS3-scwrl costs 0 real_cost = 267.46 GeneSilicoMetaServer_TS3 costs 0 real_cost = 267.999 GeneSilicoMetaServer_TS2-scwrl costs 0 real_cost = 269.758 GeneSilicoMetaServer_TS2 costs 0 real_cost = 276.765 GeneSilicoMetaServer_TS1-scwrl costs 0 real_cost = 235.144 GeneSilicoMetaServer_TS1 costs 0 real_cost = 232.211 Frankenstein_TS3-scwrl costs 0 real_cost = 319.16 Frankenstein_TS3 costs 0 real_cost = 320.275 FUNCTION_TS5-scwrl costs 0 real_cost = 280.951 FUNCTION_TS5 costs 0 real_cost = 274.234 FUNCTION_TS4-scwrl costs 0 real_cost = 282.07 FUNCTION_TS4 costs 0 real_cost = 281.571 FUNCTION_TS3-scwrl costs 0 real_cost = 266.367 FUNCTION_TS3 costs 0 real_cost = 270.13 FUNCTION_TS2-scwrl costs 0 real_cost = 286.677 FUNCTION_TS2 costs 0 real_cost = 283.927 FUNCTION_TS1-scwrl costs 0 real_cost = 283.512 FUNCTION_TS1 costs 0 real_cost = 290.051 FUGUE_AL5-scwrl costs 0 real_cost = 277.001 FUGUE_AL5 costs 0 real_cost = 419.287 FUGUE_AL4-scwrl costs 0 real_cost = 870.066 FUGUE_AL4 costs 0 real_cost = 920.666 FUGUE_AL3-scwrl costs 0 real_cost = 292.065 FUGUE_AL3 costs 0 real_cost = 428.343 FUGUE_AL2-scwrl costs 0 real_cost = 387.726 FUGUE_AL2 costs 0 real_cost = 387.726 FUGUE_AL1-scwrl costs 0 real_cost = 317.573 FUGUE_AL1 costs 0 real_cost = 460.673 FUGMOD_TS5-scwrl costs 0 real_cost = 262.606 FUGMOD_TS5 costs 0 real_cost = 263.099 FUGMOD_TS4-scwrl costs 0 real_cost = 870.066 FUGMOD_TS4 costs 0 real_cost = 867.266 FUGMOD_TS3-scwrl costs 0 real_cost = 256.567 FUGMOD_TS3 costs 0 real_cost = 261.592 FUGMOD_TS2-scwrl costs 0 real_cost = 242.13 FUGMOD_TS2 costs 0 real_cost = 247.511 FUGMOD_TS1-scwrl costs 0 real_cost = 314.04 FUGMOD_TS1 costs 0 real_cost = 313.977 FPSOLVER-SERVER_TS5-scwrl costs 0 real_cost = 300.538 FPSOLVER-SERVER_TS5 costs 0 real_cost = 301.328 FPSOLVER-SERVER_TS4-scwrl costs 0 real_cost = 306.315 FPSOLVER-SERVER_TS4 costs 0 real_cost = 307.141 FPSOLVER-SERVER_TS3-scwrl costs 0 real_cost = 273.783 FPSOLVER-SERVER_TS3 costs 0 real_cost = 276.139 FPSOLVER-SERVER_TS2-scwrl costs 0 real_cost = 254.188 FPSOLVER-SERVER_TS2 costs 0 real_cost = 256.724 FPSOLVER-SERVER_TS1-scwrl costs 0 real_cost = 255.657 FPSOLVER-SERVER_TS1 costs 0 real_cost = 255.266 FORTE2_AL5-scwrl costs 0 real_cost = 284.243 FORTE2_AL5 costs 0 real_cost = 426.913 FORTE2_AL4-scwrl costs 0 real_cost = 294.119 FORTE2_AL4 costs 0 real_cost = 395.54 FORTE2_AL3-scwrl costs 0 real_cost = 365.488 FORTE2_AL3 costs 0 real_cost = 463.331 FORTE2_AL2-scwrl costs 0 real_cost = 325.391 FORTE2_AL2 costs 0 real_cost = 439.511 FORTE2_AL1-scwrl costs 0 real_cost = 354.179 FORTE2_AL1 costs 0 real_cost = 449.052 FORTE1_AL5-scwrl costs 0 real_cost = 365.488 FORTE1_AL5 costs 0 real_cost = 463.331 FORTE1_AL4-scwrl costs 0 real_cost = 282.116 FORTE1_AL4 costs 0 real_cost = 408.361 FORTE1_AL3-scwrl costs 0 real_cost = 325.391 FORTE1_AL3 costs 0 real_cost = 439.511 FORTE1_AL2-scwrl costs 0 real_cost = 354.179 FORTE1_AL2 costs 0 real_cost = 449.052 FORTE1_AL1-scwrl costs 0 real_cost = 307.47 FORTE1_AL1 costs 0 real_cost = 454.174 FOLDpro_TS5-scwrl costs 0 real_cost = 295.32 FOLDpro_TS5 costs 0 real_cost = 298.213 FOLDpro_TS4-scwrl costs 0 real_cost = 285.791 FOLDpro_TS4 costs 0 real_cost = 285.248 FOLDpro_TS3-scwrl costs 0 real_cost = 270.818 FOLDpro_TS3 costs 0 real_cost = 279.333 FOLDpro_TS2-scwrl costs 0 real_cost = 278.19 FOLDpro_TS2 costs 0 real_cost = 286.014 FOLDpro_TS1-scwrl costs 0 real_cost = 286.375 FOLDpro_TS1 costs 0 real_cost = 284.175 FAMS_TS5-scwrl costs 0 real_cost = 275.354 FAMS_TS5 costs 0 real_cost = 278.469 FAMS_TS4-scwrl costs 0 real_cost = 248.2 FAMS_TS4 costs 0 real_cost = 261.457 FAMS_TS3-scwrl costs 0 real_cost = 899.666 FAMS_TS3 costs 0 real_cost = 896.666 FAMS_TS2-scwrl costs 0 real_cost = 176.129 FAMS_TS2 costs 0 real_cost = 178.188 FAMS_TS1-scwrl costs 0 real_cost = 233.128 FAMS_TS1 costs 0 real_cost = 230.391 FAMSD_TS5-scwrl costs 0 real_cost = 278.848 FAMSD_TS5 costs 0 real_cost = 271.566 FAMSD_TS4-scwrl costs 0 real_cost = 284.468 FAMSD_TS4 costs 0 real_cost = 282.416 FAMSD_TS3-scwrl costs 0 real_cost = 176.129 FAMSD_TS3 costs 0 real_cost = 178.188 FAMSD_TS2-scwrl costs 0 real_cost = 276.74 FAMSD_TS2 costs 0 real_cost = 274.819 FAMSD_TS1-scwrl costs 0 real_cost = 241.647 FAMSD_TS1 costs 0 real_cost = 243.668 Distill_TS5-scwrl costs 0 real_cost = 465.623 Distill_TS4-scwrl costs 0 real_cost = 458.416 Distill_TS3-scwrl costs 0 real_cost = 468.182 Distill_TS2-scwrl costs 0 real_cost = 466.581 Distill_TS1-scwrl costs 0 real_cost = 470.627 CaspIta-FOX_TS5-scwrl costs 0 real_cost = 267.293 CaspIta-FOX_TS5 costs 0 real_cost = 267.056 CaspIta-FOX_TS4-scwrl costs 0 real_cost = 260.01 CaspIta-FOX_TS4 costs 0 real_cost = 259.089 CaspIta-FOX_TS3-scwrl costs 0 real_cost = 269.808 CaspIta-FOX_TS3 costs 0 real_cost = 266.224 CaspIta-FOX_TS2-scwrl costs 0 real_cost = 307.417 CaspIta-FOX_TS2 costs 0 real_cost = 309.662 CaspIta-FOX_TS1-scwrl costs 0 real_cost = 301.801 CaspIta-FOX_TS1 costs 0 real_cost = 300.909 CIRCLE_TS5-scwrl costs 0 real_cost = 225.711 CIRCLE_TS5 costs 0 real_cost = 230.718 CIRCLE_TS4-scwrl costs 0 real_cost = 233.128 CIRCLE_TS4 costs 0 real_cost = 230.391 CIRCLE_TS3-scwrl costs 0 real_cost = 275.354 CIRCLE_TS3 costs 0 real_cost = 278.469 CIRCLE_TS2-scwrl costs 0 real_cost = 230.017 CIRCLE_TS2 costs 0 real_cost = 223.615 CIRCLE_TS1-scwrl costs 0 real_cost = 248.2 CIRCLE_TS1 costs 0 real_cost = 261.457 Bilab-ENABLE_TS5-scwrl costs 0 real_cost = 224.525 Bilab-ENABLE_TS5 costs 0 real_cost = 225.004 Bilab-ENABLE_TS4-scwrl costs 0 real_cost = 224.275 Bilab-ENABLE_TS4 costs 0 real_cost = 224.694 Bilab-ENABLE_TS3-scwrl costs 0 real_cost = 224.736 Bilab-ENABLE_TS3 costs 0 real_cost = 225.232 Bilab-ENABLE_TS2-scwrl costs 0 real_cost = 220.359 Bilab-ENABLE_TS2 costs 0 real_cost = 220.848 Bilab-ENABLE_TS1-scwrl costs 0 real_cost = 228.215 Bilab-ENABLE_TS1 costs 0 real_cost = 228.596 BayesHH_TS1-scwrl costs 0 real_cost = 258.684 BayesHH_TS1 costs 0 real_cost = 255.724 ABIpro_TS5-scwrl costs 0 real_cost = 207.466 ABIpro_TS5 costs 0 real_cost = 207.544 ABIpro_TS4-scwrl costs 0 real_cost = 228.625 ABIpro_TS4 costs 0 real_cost = 228.625 ABIpro_TS3-scwrl costs 0 real_cost = 206.286 ABIpro_TS3 costs 0 real_cost = 206.286 ABIpro_TS2-scwrl costs 0 real_cost = 223.358 ABIpro_TS2 costs 0 real_cost = 223.358 ABIpro_TS1-scwrl costs 0 real_cost = 216.293 ABIpro_TS1 costs 0 real_cost = 216.303 3Dpro_TS5-scwrl costs 0 real_cost = 216.293 3Dpro_TS5 costs 0 real_cost = 216.303 3Dpro_TS4-scwrl costs 0 real_cost = 308.531 3Dpro_TS4 costs 0 real_cost = 307.305 3Dpro_TS3-scwrl costs 0 real_cost = 265.64 3Dpro_TS3 costs 0 real_cost = 271.303 3Dpro_TS2-scwrl costs 0 real_cost = 252.945 3Dpro_TS2 costs 0 real_cost = 256.405 3Dpro_TS1-scwrl costs 0 real_cost = 251.814 3Dpro_TS1 costs 0 real_cost = 250.916 3D-JIGSAW_TS5-scwrl costs 0 real_cost = 288.644 3D-JIGSAW_TS5 costs 0 real_cost = 286.676 3D-JIGSAW_TS4-scwrl costs 0 real_cost = 262.184 3D-JIGSAW_TS4 costs 0 real_cost = 279.655 3D-JIGSAW_TS3-scwrl costs 0 real_cost = 262.347 3D-JIGSAW_TS3 costs 0 real_cost = 265.281 3D-JIGSAW_TS2-scwrl costs 0 real_cost = 290.412 3D-JIGSAW_TS2 costs 0 real_cost = 279.53 3D-JIGSAW_TS1-scwrl costs 0 real_cost = 261.261 3D-JIGSAW_TS1 costs 0 real_cost = 265.586 3D-JIGSAW_RECOM_TS5-scwrl costs 0 real_cost = 298.985 3D-JIGSAW_RECOM_TS5 costs 0 real_cost = 297.015 3D-JIGSAW_RECOM_TS4-scwrl costs 0 real_cost = 288.878 3D-JIGSAW_RECOM_TS4 costs 0 real_cost = 286.897 3D-JIGSAW_RECOM_TS3-scwrl costs 0 real_cost = 274.464 3D-JIGSAW_RECOM_TS3 costs 0 real_cost = 275.937 3D-JIGSAW_RECOM_TS2-scwrl costs 0 real_cost = 292.666 3D-JIGSAW_RECOM_TS2 costs 0 real_cost = 290.403 3D-JIGSAW_RECOM_TS1-scwrl costs 0 real_cost = 267.147 3D-JIGSAW_RECOM_TS1 costs 0 real_cost = 276.93 3D-JIGSAW_POPULUS_TS5-scwrl costs 0 real_cost = 255.475 3D-JIGSAW_POPULUS_TS5 costs 0 real_cost = 387.364 3D-JIGSAW_POPULUS_TS4-scwrl costs 0 real_cost = 254.431 3D-JIGSAW_POPULUS_TS4 costs 0 real_cost = 252.631 3D-JIGSAW_POPULUS_TS3-scwrl costs 0 real_cost = 248.776 3D-JIGSAW_POPULUS_TS3 costs 0 real_cost = 248.776 3D-JIGSAW_POPULUS_TS2-scwrl costs 0 real_cost = 264.084 3D-JIGSAW_POPULUS_TS2 costs 0 real_cost = 262.284 3D-JIGSAW_POPULUS_TS1-scwrl costs 0 real_cost = 248.777 3D-JIGSAW_POPULUS_TS1 costs 0 real_cost = 246.974 T0299.try9-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 289.768 T0299.try9-opt2.pdb.gz costs 0 real_cost = 289.215 T0299.try9-opt2.gromacs0.pdb.gz costs 0 real_cost = 292.278 T0299.try9-opt1.pdb.gz costs 0 real_cost = 292.615 T0299.try9-opt1-scwrl.pdb.gz costs 0 real_cost = 292.496 T0299.try8-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 255.143 T0299.try8-opt2.pdb.gz costs 0 real_cost = 252.01 T0299.try8-opt2.gromacs0.pdb.gz costs 0 real_cost = 255.807 T0299.try8-opt1.pdb.gz costs 0 real_cost = 257.097 T0299.try8-opt1-scwrl.pdb.gz costs 0 real_cost = 256.823 T0299.try7-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 228.4 T0299.try7-opt2.pdb.gz costs 0 real_cost = 229.141 T0299.try7-opt2.gromacs0.pdb.gz costs 0 real_cost = 228.038 T0299.try7-opt1.pdb.gz costs 0 real_cost = 229.712 T0299.try7-opt1-scwrl.pdb.gz costs 0 real_cost = 228.209 T0299.try6-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 275.066 T0299.try6-opt2.pdb.gz costs 0 real_cost = 271.668 T0299.try6-opt2.gromacs0.pdb.gz costs 0 real_cost = 271.399 T0299.try6-opt1.pdb.gz costs 0 real_cost = 271.407 T0299.try6-opt1-scwrl.pdb.gz costs 0 real_cost = 274.342 T0299.try5-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 256.912 T0299.try5-opt2.pdb.gz costs 0 real_cost = 259.442 T0299.try5-opt2.gromacs0.pdb.gz costs 0 real_cost = 258.285 T0299.try5-opt1.pdb.gz costs 0 real_cost = 261.481 T0299.try5-opt1-scwrl.pdb.gz costs 0 real_cost = 259.94 T0299.try4-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 269.068 T0299.try4-opt2.pdb.gz costs 0 real_cost = 269.66 T0299.try4-opt2.gromacs0.pdb.gz costs 0 real_cost = 269.456 T0299.try4-opt1.pdb.gz costs 0 real_cost = 270.921 T0299.try4-opt1-scwrl.pdb.gz costs 0 real_cost = 274.33 T0299.try3-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 274.81 T0299.try3-opt2.pdb.gz costs 0 real_cost = 274.944 T0299.try3-opt2.gromacs0.pdb.gz costs 0 real_cost = 279.641 T0299.try3-opt1.pdb.gz costs 0 real_cost = 276.031 T0299.try3-opt1-scwrl.pdb.gz costs 0 real_cost = 275.455 T0299.try24-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 221.36 T0299.try24-opt2.pdb.gz costs 0 real_cost = 222.652 T0299.try24-opt2.gromacs0.pdb.gz costs 0 real_cost = 222.866 T0299.try24-opt1.pdb.gz costs 0 real_cost = 227.436 T0299.try24-opt1-scwrl.pdb.gz costs 0 real_cost = 226.888 T0299.try23-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 269.814 T0299.try23-opt2.pdb.gz costs 0 real_cost = 269.572 T0299.try23-opt2.gromacs0.pdb.gz costs 0 real_cost = 273.271 T0299.try23-opt1.pdb.gz costs 0 real_cost = 268.057 T0299.try23-opt1-scwrl.pdb.gz costs 0 real_cost = 269.156 T0299.try22-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 267.701 T0299.try22-opt2.pdb.gz costs 0 real_cost = 265.972 T0299.try22-opt2.gromacs0.pdb.gz costs 0 real_cost = 268.321 T0299.try22-opt1.pdb.gz costs 0 real_cost = 264.141 T0299.try22-opt1-scwrl.pdb.gz costs 0 real_cost = 265.712 T0299.try21-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 281.04 T0299.try21-opt2.pdb.gz costs 0 real_cost = 281.948 T0299.try21-opt2.gromacs0.pdb.gz costs 0 real_cost = 276.818 T0299.try21-opt1.pdb.gz costs 0 real_cost = 283.478 T0299.try21-opt1-scwrl.pdb.gz costs 0 real_cost = 283.569 T0299.try20-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 271.124 T0299.try20-opt2.pdb.gz costs 0 real_cost = 266.448 T0299.try20-opt2.gromacs0.pdb.gz costs 0 real_cost = 264.703 T0299.try20-opt1.pdb.gz costs 0 real_cost = 262.975 T0299.try20-opt1-scwrl.pdb.gz costs 0 real_cost = 265.976 T0299.try2-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 308.791 T0299.try2-opt2.pdb.gz costs 0 real_cost = 308.866 T0299.try2-opt2.gromacs0.pdb.gz costs 0 real_cost = 307.065 T0299.try2-opt1.pdb.gz costs 0 real_cost = 309.96 T0299.try2-opt1-scwrl.pdb.gz costs 0 real_cost = 309.54 T0299.try19-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 283.236 T0299.try19-opt2.pdb.gz costs 0 real_cost = 283.967 T0299.try19-opt2.gromacs0.pdb.gz costs 0 real_cost = 283.528 T0299.try19-opt1.pdb.gz costs 0 real_cost = 283.832 T0299.try19-opt1-scwrl.pdb.gz costs 0 real_cost = 283.888 T0299.try18-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 285.165 T0299.try18-opt2.pdb.gz costs 0 real_cost = 286.035 T0299.try18-opt2.gromacs0.pdb.gz costs 0 real_cost = 286.78 T0299.try18-opt1.pdb.gz costs 0 real_cost = 287.496 T0299.try18-opt1-scwrl.pdb.gz costs 0 real_cost = 284.406 T0299.try17-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 283.375 T0299.try17-opt2.pdb.gz costs 0 real_cost = 282.223 T0299.try17-opt2.gromacs0.pdb.gz costs 0 real_cost = 286.099 T0299.try17-opt1.pdb.gz costs 0 real_cost = 283.28 T0299.try17-opt1-scwrl.pdb.gz costs 0 real_cost = 283.953 T0299.try16-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 276.173 T0299.try16-opt2.pdb.gz costs 0 real_cost = 277.53 T0299.try16-opt2.gromacs0.pdb.gz costs 0 real_cost = 275.871 T0299.try16-opt1.pdb.gz costs 0 real_cost = 277.379 T0299.try16-opt1-scwrl.pdb.gz costs 0 real_cost = 277.279 T0299.try15-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 278.194 T0299.try15-opt2.pdb.gz costs 0 real_cost = 277.815 T0299.try15-opt2.gromacs0.pdb.gz costs 0 real_cost = 279.253 T0299.try15-opt1.pdb.gz costs 0 real_cost = 277.956 T0299.try15-opt1-scwrl.pdb.gz costs 0 real_cost = 278.216 T0299.try14-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 268.383 T0299.try14-opt2.pdb.gz costs 0 real_cost = 268.858 T0299.try14-opt2.gromacs0.pdb.gz costs 0 real_cost = 276.015 T0299.try14-opt1.pdb.gz costs 0 real_cost = 267.342 T0299.try14-opt1-scwrl.pdb.gz costs 0 real_cost = 267.041 T0299.try13-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 277.445 T0299.try13-opt2.pdb.gz costs 0 real_cost = 283.906 T0299.try13-opt2.gromacs0.pdb.gz costs 0 real_cost = 284.529 T0299.try13-opt1.pdb.gz costs 0 real_cost = 278.244 T0299.try13-opt1-scwrl.pdb.gz costs 0 real_cost = 274.042 T0299.try12-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 265.703 T0299.try12-opt2.pdb.gz costs 0 real_cost = 268.022 T0299.try12-opt2.gromacs0.pdb.gz costs 0 real_cost = 272.956 T0299.try12-opt1.pdb.gz costs 0 real_cost = 268.147 T0299.try12-opt1-scwrl.pdb.gz costs 0 real_cost = 266.118 T0299.try11-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 286.266 T0299.try11-opt2.pdb.gz costs 0 real_cost = 283.079 T0299.try11-opt2.gromacs0.pdb.gz costs 0 real_cost = 285.302 T0299.try11-opt1.pdb.gz costs 0 real_cost = 285.193 T0299.try11-opt1-scwrl.pdb.gz costs 0 real_cost = 285.593 T0299.try10-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 288.527 T0299.try10-opt2.pdb.gz costs 0 real_cost = 291.607 T0299.try10-opt2.gromacs0.pdb.gz costs 0 real_cost = 294.011 T0299.try10-opt1.pdb.gz costs 0 real_cost = 292.322 T0299.try10-opt1-scwrl.pdb.gz costs 0 real_cost = 292.944 T0299.try1-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 312.054 T0299.try1-opt2.pdb.gz costs 0 real_cost = 309.812 T0299.try1-opt2.gromacs0.pdb.gz costs 0 real_cost = 310.894 T0299.try1-opt1.pdb.gz costs 0 real_cost = 310.734 T0299.try1-opt1-scwrl.pdb.gz costs 0 real_cost = 310.784 ../model5.ts-submitted costs 0 real_cost = 271.683 ../model4.ts-submitted costs 0 real_cost = 281.949 ../model3.ts-submitted costs 0 real_cost = 269.6 ../model2.ts-submitted costs 0 real_cost = 265.995 ../model1.ts-submitted costs 0 real_cost = 223.165 align5 costs 0 real_cost = 381.23 align4 costs 0 real_cost = 349.45 align3 costs 0 real_cost = 361.559 align2 costs 0 real_cost = 356.883 align1 costs 0 real_cost = 356.465 T0299.try1-opt2.pdb costs 0 real_cost = 310.287 model5-scwrl costs 0 real_cost = 274.629 model5.ts-submitted costs 0 real_cost = 271.683 model4-scwrl costs 0 real_cost = 281.26 model4.ts-submitted costs 0 real_cost = 281.949 model3-scwrl costs 0 real_cost = 270.047 model3.ts-submitted costs 0 real_cost = 269.6 model2-scwrl costs 0 real_cost = 259.911 model2.ts-submitted costs 0 real_cost = 265.995 model1-scwrl costs 0 real_cost = 224.802 model1.ts-submitted costs 0 real_cost = 222.615 T0299_2.real.pdb costs 0 real_cost = -750 # command:CPU_time= 134.2 sec, elapsed time= 506.838 sec) # command:rm -f sort.tmp /projects/compbio/bin/sorttbl real_cost < decoys/evaluate_2.rdb > sort.tmp mv -f sort.tmp decoys/evaluate_2.rdb mv -f decoys/evaluate_2.pretty decoys/evaluate_2.pretty.old mv: cannot stat `decoys/evaluate_2.pretty': No such file or directory make: [decoys/evaluate_2.pretty] Error 1 (ignored) /projects/compbio/experiments/protein-predict/casp7/scripts/prettyscore -terse -targpfx -decpoint < decoys/evaluate_2.rdb > decoys/evaluate_2.pretty rm decoys/evaluate_2.rdb