/projects/compbio/experiments/protein-predict/casp7/starter-directory/Make.main:725: SECONDARY_TARGET = T0297.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/T0297.} ;\ 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/T0297/ -e s/START_COL/1/ \ -e s/REAL_PDB/2hsjA/ \ -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 1174504400 # command:# Prefix for input files set to /projects/compbio/experiments/undertaker/atoms-inputs/ # command:# reading monomeric-50pc.atoms # trans (non-proline) backbone unit: # CA= -2.2088 1.0126 -0.0031 # O= -0.1499 2.2440 0.0017 # C= -0.6889 1.1368 0.0000 # N+1= 0.0000 0.0000 0.0000 # CA+1= 1.4581 0.0000 0.0000 # cis backbone unit: # CA= -0.1462 2.4515 0.0018 # O= -2.0272 0.9713 0.0022 # C= -0.8006 1.0755 0.0000 # N+1= 0.0000 0.0000 0.0000 # CA+1= 1.4659 0.0000 0.0000 # trans backbone unit before proline: # CA= -2.2099 1.0634 -0.0014 # O= -0.1233 2.2459 0.0075 # C= -0.6871 1.1518 0.0000 # N+1= 0.0000 0.0000 0.0000 # CA+1= 1.4660 0.0000 0.0000 # After reading monomeric-50pc.atoms have 448 chains in training database # Count of chains,residues,atoms: 448,112605,876684 # 109826 residues have no bad marker # 665 residues lack atoms needed to compute omega # 322 residues have cis peptide # number of each bad type: # NON_STANDARD_RESIDUE 6 # HAS_OXT 325 # TOO_MANY_ATOMS 1 # TOO_FEW_ATOMS 523 # HAS_UNKNOWN_ATOMS 2 # HAS_DUPLICATE_ATOMS 0 # CHAIN_BREAK_BEFORE 208 # NON_PLANAR_PEPTIDE 143 # BAD_PEPTIDE 1959 # Note: may sum to more than number of residues, # because one residue may have multiple problems # command:# Reading rotamer library from dunbrack-1332.rot # command:# Prefix for input files set to /projects/compbio/experiments/undertaker/spots/ # command:# ReadAtomType exp-pdb.types Read AtomType exp-pdb with 49 types. # command:# ReadClashTable exp-pdb-2191-2symm.clash # Read ClashTable exp-pdb-2191-2symm checking bonds symmetric at MaxSep 2 # command:# command:CPU_time= 5.9061 sec, elapsed time= 5.93522 sec) # command:# Reading spots from monomeric-50pc-dry-5.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-dry-5.hist # created burial cost function dry5 with radius 5 with spots at monomeric-50pc-dry-5.spot # command:# Reading spots from monomeric-50pc-wet-6.5.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-wet-6.5.hist # created burial cost function wet6.5 with radius 6.5 with spots at monomeric-50pc-wet-6.5.spot # command:# Reading spots from monomeric-50pc-dry-6.5.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-dry-6.5.hist # created burial cost function dry6.5 with radius 6.5 with spots at monomeric-50pc-dry-6.5.spot # command:# Reading spots from monomeric-50pc-generic-6.5.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-generic-6.5.hist # created burial cost function gen6.5 with radius 6.5 with spots at monomeric-50pc-generic-6.5.spot # command:# Reading spots from near-backbone-center.spot # reading histogram from smoothed-near-backbone-2spot.hist # Reading spots from near-backbone-count.spot # created burial cost function near_backbone with radius 9.65 with spots at near-backbone-center.spot counting only near-backbone-count.spot # command:# Reading spots from way-back-center.spot # reading histogram from smoothed-way-back-2spot.hist # Reading spots from way-back-count.spot # created burial cost function way_back with radius 8.9 with spots at way-back-center.spot counting only way-back-count.spot # command:# Reading spots from monomeric-50pc-dry-8.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-dry-8.hist # created burial cost function dry8 with radius 8 with spots at monomeric-50pc-dry-8.spot # command:# Reading spots from monomeric-50pc-dry-10.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-dry-10.hist # created burial cost function dry10 with radius 10 with spots at monomeric-50pc-dry-10.spot # command:# Reading spots from monomeric-50pc-dry-12.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-dry-12.hist # created burial cost function dry12 with radius 12 with spots at monomeric-50pc-dry-12.spot # command:# reading histogram from dunbrack-2191-alpha.hist # created alpha cost function alpha with offset 0 and 360 bins # command:# reading histogram from dunbrack-2191-alpha-1.hist # created alpha cost function alpha_prev with offset -1 and 360 bins # command:# Prefix for input files set to /projects/compbio/lib/alphabet/ # command:# Read 3 alphabets from alpha.alphabet # command:CPU_time= 5.98009 sec, elapsed time= 6.02583 sec) # command:# Prefix for input files set to # command:# Making conformation for sequence T0297 numbered 1 through 211 Created new target T0297 from T0297.a2m # command:# command:# No conformations to remove in PopConform # command:# cleared Id set # command:# command:2hsjA expands to /projects/compbio/data/pdb/2hsj.pdb.gz 2hsjA:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 2, because occupancy 5.0000000e-01 <= existing 0.500 in 2hsjA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 4, because occupancy 0.500 <= existing 0.500 in 2hsjA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 6, because occupancy 0.500 <= existing 0.500 in 2hsjA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 8, because occupancy 0.500 <= existing 0.500 in 2hsjA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 10, because occupancy 0.500 <= existing 0.500 in 2hsjA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 12, because occupancy 0.500 <= existing 0.500 in 2hsjA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 14, because occupancy 0.500 <= existing 0.500 in 2hsjA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 16, because occupancy 0.500 <= existing 0.500 in 2hsjA Skipped atom 72, because occupancy 0.500 <= existing 0.500 in 2hsjA Skipped atom 74, because occupancy 0.500 <= existing 0.500 in 2hsjA Skipped atom 76, because occupancy 0.500 <= existing 0.500 in 2hsjA Skipped atom 78, because occupancy 0.500 <= existing 0.500 in 2hsjA Skipped atom 80, because occupancy 0.500 <= existing 0.500 in 2hsjA Skipped atom 82, because occupancy 0.500 <= existing 0.500 in 2hsjA Skipped atom 84, because occupancy 0.500 <= existing 0.500 in 2hsjA Skipped atom 86, because occupancy 0.500 <= existing 0.500 in 2hsjA Skipped atom 88, because occupancy 0.500 <= existing 0.500 in 2hsjA Skipped atom 90, because occupancy 0.500 <= existing 0.500 in 2hsjA Skipped atom 92, because occupancy 0.500 <= existing 0.500 in 2hsjA Skipped atom 94, because occupancy 0.500 <= existing 0.500 in 2hsjA Skipped atom 96, because occupancy 0.500 <= existing 0.500 in 2hsjA Skipped atom 98, because occupancy 0.500 <= existing 0.500 in 2hsjA Skipped atom 305, because occupancy 0.500 <= existing 0.500 in 2hsjA Skipped atom 307, because occupancy 0.500 <= existing 0.500 in 2hsjA Skipped atom 309, because occupancy 0.500 <= existing 0.500 in 2hsjA Skipped atom 311, because occupancy 0.500 <= existing 0.500 in 2hsjA Skipped atom 313, because occupancy 0.500 <= existing 0.500 in 2hsjA Skipped atom 315, because occupancy 0.500 <= existing 0.500 in 2hsjA Skipped atom 317, because occupancy 0.500 <= existing 0.500 in 2hsjA Skipped atom 319, because occupancy 0.500 <= existing 0.500 in 2hsjA Skipped atom 360, because occupancy 0.500 <= existing 0.500 in 2hsjA Skipped atom 362, because occupancy 0.500 <= existing 0.500 in 2hsjA Skipped atom 364, because occupancy 0.500 <= existing 0.500 in 2hsjA Skipped atom 366, because occupancy 0.500 <= existing 0.500 in 2hsjA Skipped atom 368, because occupancy 0.500 <= existing 0.500 in 2hsjA Skipped atom 370, because occupancy 0.500 <= existing 0.500 in 2hsjA Skipped atom 1156, because occupancy 0.500 <= existing 0.500 in 2hsjA Skipped atom 1158, because occupancy 0.500 <= existing 0.500 in 2hsjA Skipped atom 1160, because occupancy 0.500 <= existing 0.500 in 2hsjA Skipped atom 1162, because occupancy 0.500 <= existing 0.500 in 2hsjA Skipped atom 1164, because occupancy 0.500 <= existing 0.500 in 2hsjA Skipped atom 1166, because occupancy 0.500 <= existing 0.500 in 2hsjA Skipped atom 1168, because occupancy 0.500 <= existing 0.500 in 2hsjA Skipped atom 1170, because occupancy 0.500 <= existing 0.500 in 2hsjA Skipped atom 1172, because occupancy 0.500 <= existing 0.500 in 2hsjA Skipped atom 1240, because occupancy 0.500 <= existing 0.500 in 2hsjA Skipped atom 1242, because occupancy 0.500 <= existing 0.500 in 2hsjA Skipped atom 1244, because occupancy 0.500 <= existing 0.500 in 2hsjA Skipped atom 1246, because occupancy 0.500 <= existing 0.500 in 2hsjA Skipped atom 1248, because occupancy 0.500 <= existing 0.500 in 2hsjA Skipped atom 1250, because occupancy 0.500 <= existing 0.500 in 2hsjA Skipped atom 1252, because occupancy 0.500 <= existing 0.500 in 2hsjA Skipped atom 1254, because occupancy 0.500 <= existing 0.500 in 2hsjA Skipped atom 1256, because occupancy 0.500 <= existing 0.500 in 2hsjA Skipped atom 1362, because occupancy 0.500 <= existing 0.500 in 2hsjA Skipped atom 1364, because occupancy 0.500 <= existing 0.500 in 2hsjA Skipped atom 1366, because occupancy 0.500 <= existing 0.500 in 2hsjA Skipped atom 1368, because occupancy 0.500 <= existing 0.500 in 2hsjA Skipped atom 1370, because occupancy 0.500 <= existing 0.500 in 2hsjA Skipped atom 1372, because occupancy 0.500 <= existing 0.500 in 2hsjA 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 1557, because occupancy 0.500 <= existing 0.500 in 2hsjA Skipped atom 1559, because occupancy 0.500 <= existing 0.500 in 2hsjA Skipped atom 1561, because occupancy 0.500 <= existing 0.500 in 2hsjA Skipped atom 1563, because occupancy 0.500 <= existing 0.500 in 2hsjA Skipped atom 1565, because occupancy 0.500 <= existing 0.500 in 2hsjA Skipped atom 1567, because occupancy 0.500 <= existing 0.500 in 2hsjA Skipped atom 1569, because occupancy 0.500 <= existing 0.500 in 2hsjA Skipped atom 1571, because occupancy 0.500 <= existing 0.500 in 2hsjA Skipped atom 1573, because occupancy 0.500 <= existing 0.500 in 2hsjA Read 211 residues and 1703 atoms. # choosing archetypes in rotamer library # Found a chain break before 127 # copying to AlignedFragments data structure # command:# Saving current conformation as real # command:# Prefix for output files set to decoys/ # command:# SetRealCost created real_cost = # ( 50 * real_hbond + 50 * real_hbond_u + 50 * decoy_hbond + 50 * decoy_hbond_u + 10 * real_NO_hbond + 10 * real_NO_hbond_u + 10 * decoy_NO_hbond + 10 * decoy_NO_hbond_u + 10 * knot + 200 * clens + 0 * rmsd + 35 * log_rmsd + 0 * rmsd_ca + 30 * log_rmsd_ca + 1 * GDT + 1 * smooth_GDT + 0.2 * missing_atoms ) # command:# SetCost created cost = # ) # command:CPU_time= 10.2384 sec, elapsed time= 10.3217 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 193 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -68.128 # GDT_score(maxd=8,maxw=2.9)= -70.3561 # GDT_score(maxd=8,maxw=3.2)= -66.9027 # GDT_score(maxd=8,maxw=3.5)= -63.3506 # GDT_score(maxd=10,maxw=3.8)= -66.4529 # GDT_score(maxd=10,maxw=4)= -64.1925 # GDT_score(maxd=10,maxw=4.2)= -61.9914 # GDT_score(maxd=12,maxw=4.3)= -65.8847 # GDT_score(maxd=12,maxw=4.5)= -63.7302 # GDT_score(maxd=12,maxw=4.7)= -61.6353 # GDT_score(maxd=14,maxw=5.2)= -60.5377 # GDT_score(maxd=14,maxw=5.5)= -57.7079 # command:# Prefix for output files set to # command:superimposing iter= 0 total_weight= 2547.000 rmsd (weighted)= 4.817 (unweighted)= 5.159 superimposing iter= 1 total_weight= 8116.694 rmsd (weighted)= 1.930 (unweighted)= 5.222 superimposing iter= 2 total_weight= 3665.266 rmsd (weighted)= 1.281 (unweighted)= 5.259 superimposing iter= 3 total_weight= 2220.902 rmsd (weighted)= 1.114 (unweighted)= 5.279 superimposing iter= 4 total_weight= 1847.418 rmsd (weighted)= 1.065 (unweighted)= 5.290 superimposing iter= 5 total_weight= 1761.648 rmsd (weighted)= 1.045 (unweighted)= 5.296 # command:# Prefix for output files set to decoys/ # command:# request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1273934713.pdb -s /var/tmp/to_scwrl_1273934713.seq -o /var/tmp/from_scwrl_1273934713.pdb > /var/tmp/scwrl_1273934713.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1273934713.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 193 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -69.9052 # GDT_score(maxd=8,maxw=2.9)= -71.5468 # GDT_score(maxd=8,maxw=3.2)= -68.0348 # GDT_score(maxd=8,maxw=3.5)= -64.4452 # GDT_score(maxd=10,maxw=3.8)= -67.6716 # GDT_score(maxd=10,maxw=4)= -65.4005 # GDT_score(maxd=10,maxw=4.2)= -63.2283 # GDT_score(maxd=12,maxw=4.3)= -67.134 # GDT_score(maxd=12,maxw=4.5)= -65.0072 # GDT_score(maxd=12,maxw=4.7)= -62.9534 # GDT_score(maxd=14,maxw=5.2)= -61.9129 # GDT_score(maxd=14,maxw=5.5)= -59.1381 # command:# request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1151281613.pdb -s /var/tmp/to_scwrl_1151281613.seq -o /var/tmp/from_scwrl_1151281613.pdb > /var/tmp/scwrl_1151281613.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1151281613.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 # WARNING: incomplete conformation T0297 can't currently be optimized by undertaker # command:# fraction of real conformation used = 0.800948 # GDT_score = -58.2938 # GDT_score(maxd=8,maxw=2.9)= -60.6445 # GDT_score(maxd=8,maxw=3.2)= -57.8096 # GDT_score(maxd=8,maxw=3.5)= -54.9452 # GDT_score(maxd=10,maxw=3.8)= -57.0656 # GDT_score(maxd=10,maxw=4)= -55.2926 # GDT_score(maxd=10,maxw=4.2)= -53.5212 # GDT_score(maxd=12,maxw=4.3)= -56.3897 # GDT_score(maxd=12,maxw=4.5)= -54.6586 # GDT_score(maxd=12,maxw=4.7)= -52.9719 # GDT_score(maxd=14,maxw=5.2)= -51.9046 # GDT_score(maxd=14,maxw=5.5)= -49.6007 # command:# request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1670079300.pdb -s /var/tmp/to_scwrl_1670079300.seq -o /var/tmp/from_scwrl_1670079300.pdb > /var/tmp/scwrl_1670079300.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1670079300.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 # WARNING: incomplete conformation T0297 can't currently be optimized by undertaker # command:# fraction of real conformation used = 0.767773 # GDT_score = -50.9479 # GDT_score(maxd=8,maxw=2.9)= -53.5405 # GDT_score(maxd=8,maxw=3.2)= -50.8421 # GDT_score(maxd=8,maxw=3.5)= -48.2594 # GDT_score(maxd=10,maxw=3.8)= -50.5471 # GDT_score(maxd=10,maxw=4)= -48.9434 # GDT_score(maxd=10,maxw=4.2)= -47.4181 # GDT_score(maxd=12,maxw=4.3)= -50.2629 # GDT_score(maxd=12,maxw=4.5)= -48.765 # GDT_score(maxd=12,maxw=4.7)= -47.3183 # GDT_score(maxd=14,maxw=5.2)= -46.6931 # GDT_score(maxd=14,maxw=5.5)= -44.7538 # command:# request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1578938089.pdb -s /var/tmp/to_scwrl_1578938089.seq -o /var/tmp/from_scwrl_1578938089.pdb > /var/tmp/scwrl_1578938089.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1578938089.pdb # conformation set from SCWRL output # command:# naming current conformation model4-scwrl # command:# ReadConformPDB reading from PDB file model5.ts-submitted looking for model 1 # WARNING: incomplete conformation T0297 can't currently be optimized by undertaker # command:# fraction of real conformation used = 0.767773 # GDT_score = -55.9242 # GDT_score(maxd=8,maxw=2.9)= -58.2329 # GDT_score(maxd=8,maxw=3.2)= -55.5912 # GDT_score(maxd=8,maxw=3.5)= -52.7634 # GDT_score(maxd=10,maxw=3.8)= -54.8771 # GDT_score(maxd=10,maxw=4)= -53.0399 # GDT_score(maxd=10,maxw=4.2)= -51.2278 # GDT_score(maxd=12,maxw=4.3)= -54.1703 # GDT_score(maxd=12,maxw=4.5)= -52.4068 # GDT_score(maxd=12,maxw=4.7)= -50.6846 # GDT_score(maxd=14,maxw=5.2)= -49.6097 # GDT_score(maxd=14,maxw=5.5)= -47.3155 # command:# request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1861106959.pdb -s /var/tmp/to_scwrl_1861106959.seq -o /var/tmp/from_scwrl_1861106959.pdb > /var/tmp/scwrl_1861106959.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1861106959.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 T0297.try1-opt2.pdb looking for model 1 # Found a chain break before 199 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -68.3649 # GDT_score(maxd=8,maxw=2.9)= -70.1381 # GDT_score(maxd=8,maxw=3.2)= -66.9263 # GDT_score(maxd=8,maxw=3.5)= -63.6819 # GDT_score(maxd=10,maxw=3.8)= -66.8382 # GDT_score(maxd=10,maxw=4)= -64.7121 # GDT_score(maxd=10,maxw=4.2)= -62.5965 # GDT_score(maxd=12,maxw=4.3)= -66.4984 # GDT_score(maxd=12,maxw=4.5)= -64.4174 # GDT_score(maxd=12,maxw=4.7)= -62.3878 # GDT_score(maxd=14,maxw=5.2)= -61.4101 # GDT_score(maxd=14,maxw=5.5)= -58.6339 # command:# Prefix for output files set to # command:superimposing iter= 0 total_weight= 2547.000 rmsd (weighted)= 4.596 (unweighted)= 5.019 superimposing iter= 1 total_weight= 8289.561 rmsd (weighted)= 1.813 (unweighted)= 5.069 superimposing iter= 2 total_weight= 3915.891 rmsd (weighted)= 1.163 (unweighted)= 5.095 superimposing iter= 3 total_weight= 2278.737 rmsd (weighted)= 0.996 (unweighted)= 5.107 superimposing iter= 4 total_weight= 1893.306 rmsd (weighted)= 0.938 (unweighted)= 5.113 superimposing iter= 5 total_weight= 1775.877 rmsd (weighted)= 0.913 (unweighted)= 5.118 # command:# Prefix for output files set to decoys/ # command:# Prefix for input files set to # command:# ReadConformPDB reading from PDB file T0297.undertaker-align.pdb looking for model 1 WARNING: atoms too close: (T0297)I95.C and (T0297)K97.C only 0.000 apart, marking (T0297)K97.C as missing WARNING: atoms too close: (T0297)G96.N and (T0297)D98.N only 0.000 apart, marking (T0297)G96.N as missing WARNING: atoms too close: (T0297)G96.CA and (T0297)D98.CA only 0.000 apart, marking (T0297)G96.CA as missing WARNING: atoms too close: (T0297)R135.C and (T0297)V142.C only 0.000 apart, marking (T0297)V142.C as missing WARNING: atoms too close: (T0297)E136.N and (T0297)Y143.N only 0.000 apart, marking (T0297)E136.N as missing WARNING: atoms too close: (T0297)E136.CA and (T0297)Y143.CA only 0.000 apart, marking (T0297)E136.CA as missing # WARNING: incomplete conformation T0297 can't currently be optimized by undertaker # command:# naming current conformation align1 # command:# fraction of real conformation used = 0.872038 # GDT_score = -62.9147 # GDT_score(maxd=8,maxw=2.9)= -65.2036 # GDT_score(maxd=8,maxw=3.2)= -62.179 # GDT_score(maxd=8,maxw=3.5)= -59.1424 # GDT_score(maxd=10,maxw=3.8)= -61.52 # GDT_score(maxd=10,maxw=4)= -59.6373 # GDT_score(maxd=10,maxw=4.2)= -57.7485 # GDT_score(maxd=12,maxw=4.3)= -60.8807 # GDT_score(maxd=12,maxw=4.5)= -59.0261 # GDT_score(maxd=12,maxw=4.7)= -57.1935 # GDT_score(maxd=14,maxw=5.2)= -56.0481 # GDT_score(maxd=14,maxw=5.5)= -53.5452 # command:# ReadConformPDB reading from PDB file T0297.undertaker-align.pdb looking for model 2 WARNING: atoms too close: (T0297)D118.C and (T0297)P120.C only 0.000 apart, marking (T0297)P120.C as missing WARNING: atoms too close: (T0297)Y119.N and (T0297)L121.N only 0.000 apart, marking (T0297)Y119.N as missing WARNING: atoms too close: (T0297)Y119.CA and (T0297)L121.CA only 0.000 apart, marking (T0297)Y119.CA as missing WARNING: atoms too close: (T0297)Q139.C and (T0297)I150.C only 0.000 apart, marking (T0297)I150.C as missing WARNING: atoms too close: (T0297)Q140.N and (T0297)Q151.N only 0.000 apart, marking (T0297)Q140.N as missing WARNING: atoms too close: (T0297)Q140.CA and (T0297)Q151.CA only 0.000 apart, marking (T0297)Q140.CA as missing WARNING: atoms too close: (T0297)Y164.C and (T0297)M165.C only 0.000 apart, marking (T0297)M165.C as missing WARNING: atoms too close: (T0297)M165.N and (T0297)Q166.N only 0.000 apart, marking (T0297)M165.N as missing WARNING: atoms too close: (T0297)M165.CA and (T0297)Q166.CA only 0.000 apart, marking (T0297)M165.CA as missing WARNING: atoms too close: (T0297)V172.C and (T0297)C175.C only 0.000 apart, marking (T0297)C175.C as missing WARNING: atoms too close: (T0297)F173.N and (T0297)L176.N only 0.000 apart, marking (T0297)F173.N as missing WARNING: atoms too close: (T0297)F173.CA and (T0297)L176.CA only 0.000 apart, marking (T0297)F173.CA as missing # WARNING: incomplete conformation T0297 can't currently be optimized by undertaker # command:# naming current conformation align2 # command:# fraction of real conformation used = 0.772512 # GDT_score = -51.3033 # GDT_score(maxd=8,maxw=2.9)= -53.8821 # GDT_score(maxd=8,maxw=3.2)= -51.1766 # GDT_score(maxd=8,maxw=3.5)= -48.6009 # GDT_score(maxd=10,maxw=3.8)= -50.9023 # GDT_score(maxd=10,maxw=4)= -49.2809 # GDT_score(maxd=10,maxw=4.2)= -47.7434 # GDT_score(maxd=12,maxw=4.3)= -50.6059 # GDT_score(maxd=12,maxw=4.5)= -49.0965 # GDT_score(maxd=12,maxw=4.7)= -47.6363 # GDT_score(maxd=14,maxw=5.2)= -47.006 # GDT_score(maxd=14,maxw=5.5)= -45.0493 # command:# ReadConformPDB reading from PDB file T0297.undertaker-align.pdb looking for model 3 WARNING: atoms too close: (T0297)V115.C and (T0297)P120.C only 0.000 apart, marking (T0297)P120.C as missing WARNING: atoms too close: (T0297)A116.N and (T0297)L121.N only 0.000 apart, marking (T0297)A116.N as missing WARNING: atoms too close: (T0297)A116.CA and (T0297)L121.CA only 0.000 apart, marking (T0297)A116.CA as missing WARNING: atoms too close: (T0297)Q139.C and (T0297)S146.C only 0.000 apart, marking (T0297)S146.C as missing WARNING: atoms too close: (T0297)Q140.N and (T0297)N147.N only 0.000 apart, marking (T0297)Q140.N as missing WARNING: atoms too close: (T0297)Q140.CA and (T0297)N147.CA only 0.000 apart, marking (T0297)Q140.CA as missing WARNING: atoms too close: (T0297)Y164.C and (T0297)M165.C only 0.000 apart, marking (T0297)M165.C as missing WARNING: atoms too close: (T0297)M165.N and (T0297)Q166.N only 0.000 apart, marking (T0297)M165.N as missing WARNING: atoms too close: (T0297)M165.CA and (T0297)Q166.CA only 0.000 apart, marking (T0297)M165.CA as missing WARNING: atoms too close: (T0297)Q182.C and (T0297)L183.C only 0.000 apart, marking (T0297)L183.C as missing WARNING: atoms too close: (T0297)L183.N and (T0297)K184.N only 0.000 apart, marking (T0297)L183.N as missing WARNING: atoms too close: (T0297)L183.CA and (T0297)K184.CA only 0.000 apart, marking (T0297)L183.CA as missing # WARNING: incomplete conformation T0297 can't currently be optimized by undertaker # command:# naming current conformation align3 # command:# ReadConformPDB reading from PDB file T0297.undertaker-align.pdb looking for model 4 WARNING: atoms too close: (T0297)D118.C and (T0297)P120.C only 0.000 apart, marking (T0297)P120.C as missing WARNING: atoms too close: (T0297)Y119.N and (T0297)L121.N only 0.000 apart, marking (T0297)Y119.N as missing WARNING: atoms too close: (T0297)Y119.CA and (T0297)L121.CA only 0.000 apart, marking (T0297)Y119.CA as missing WARNING: atoms too close: (T0297)S146.C and (T0297)I150.C only 0.000 apart, marking (T0297)I150.C as missing WARNING: atoms too close: (T0297)N147.N and (T0297)Q151.N only 0.000 apart, marking (T0297)N147.N as missing WARNING: atoms too close: (T0297)N147.CA and (T0297)Q151.CA only 0.000 apart, marking (T0297)N147.CA as missing WARNING: atoms too close: (T0297)Y164.C and (T0297)M165.C only 0.000 apart, marking (T0297)M165.C as missing WARNING: atoms too close: (T0297)M165.N and (T0297)Q166.N only 0.000 apart, marking (T0297)M165.N as missing WARNING: atoms too close: (T0297)M165.CA and (T0297)Q166.CA only 0.000 apart, marking (T0297)M165.CA as missing # WARNING: incomplete conformation T0297 can't currently be optimized by undertaker # command:# naming current conformation align4 # command:# ReadConformPDB reading from PDB file T0297.undertaker-align.pdb looking for model 5 WARNING: atoms too close: (T0297)N25.C and (T0297)H26.C only 0.000 apart, marking (T0297)H26.C as missing WARNING: atoms too close: (T0297)H26.N and (T0297)I27.N only 0.000 apart, marking (T0297)H26.N as missing WARNING: atoms too close: (T0297)H26.CA and (T0297)I27.CA only 0.000 apart, marking (T0297)H26.CA as missing WARNING: atoms too close: (T0297)I27.C and (T0297)E31.C only 0.000 apart, marking (T0297)E31.C as missing WARNING: atoms too close: (T0297)S28.N and (T0297)P32.N only 0.000 apart, marking (T0297)S28.N as missing WARNING: atoms too close: (T0297)S28.CA and (T0297)P32.CA only 0.000 apart, marking (T0297)S28.CA as missing WARNING: atoms too close: (T0297)E136.C and (T0297)V142.C only 0.000 apart, marking (T0297)V142.C as missing WARNING: atoms too close: (T0297)E137.N and (T0297)Y143.N only 0.000 apart, marking (T0297)E137.N as missing WARNING: atoms too close: (T0297)E137.CA and (T0297)Y143.CA only 0.000 apart, marking (T0297)E137.CA as missing WARNING: atoms too close: (T0297)Y164.C and (T0297)M165.C only 0.000 apart, marking (T0297)M165.C as missing WARNING: atoms too close: (T0297)M165.N and (T0297)Q166.N only 0.000 apart, marking (T0297)M165.N as missing WARNING: atoms too close: (T0297)M165.CA and (T0297)Q166.CA only 0.000 apart, marking (T0297)M165.CA as missing # WARNING: incomplete conformation T0297 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 193 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model2.ts-submitted looking for model 1 # Found a chain break before 193 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model3.ts-submitted looking for model 1 # WARNING: incomplete conformation T0297 can't currently be optimized by undertaker # ReadConformPDB reading from PDB file ../model4.ts-submitted looking for model 1 # WARNING: incomplete conformation T0297 can't currently be optimized by undertaker # ReadConformPDB reading from PDB file ../model5.ts-submitted looking for model 1 # WARNING: incomplete conformation T0297 can't currently be optimized by undertaker # ReadConformPDB reading from PDB file T0297.try1-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 199 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0297.try1-opt1.pdb.gz looking for model 1 # Found a chain break before 199 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0297.try1-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 191 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0297.try1-opt2.pdb.gz looking for model 1 # Found a chain break before 199 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0297.try1-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 199 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0297.try2-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 175 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0297.try2-opt1.pdb.gz looking for model 1 # Found a chain break before 175 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0297.try2-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 175 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0297.try2-opt2.pdb.gz looking for model 1 # Found a chain break before 175 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0297.try2-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 175 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0297.try3-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 193 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0297.try3-opt1.pdb.gz looking for model 1 # Found a chain break before 193 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0297.try3-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 146 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0297.try3-opt2.pdb.gz looking for model 1 # Found a chain break before 193 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0297.try3-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 193 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0297.try4-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 193 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0297.try4-opt1.pdb.gz looking for model 1 # Found a chain break before 193 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0297.try4-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 210 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0297.try4-opt2.pdb.gz looking for model 1 # Found a chain break before 193 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0297.try4-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 193 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0297.try5-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 193 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0297.try5-opt1.pdb.gz looking for model 1 # Found a chain break before 193 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0297.try5-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 210 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0297.try5-opt2.pdb.gz looking for model 1 # Found a chain break before 193 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0297.try5-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 193 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0297.try6-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 193 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0297.try6-opt1.pdb.gz looking for model 1 # Found a chain break before 193 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0297.try6-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 165 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0297.try6-opt2.pdb.gz looking for model 1 # Found a chain break before 193 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0297.try6-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 193 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0297 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS1 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1772114878.pdb -s /var/tmp/to_scwrl_1772114878.seq -o /var/tmp/from_scwrl_1772114878.pdb > /var/tmp/scwrl_1772114878.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1772114878.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 # Found a chain break before 188 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS2 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_561559279.pdb -s /var/tmp/to_scwrl_561559279.seq -o /var/tmp/from_scwrl_561559279.pdb > /var/tmp/scwrl_561559279.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_561559279.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 188 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS3 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_2045322162.pdb -s /var/tmp/to_scwrl_2045322162.seq -o /var/tmp/from_scwrl_2045322162.pdb > /var/tmp/scwrl_2045322162.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2045322162.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 # Found a chain break before 188 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS4 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1180803185.pdb -s /var/tmp/to_scwrl_1180803185.seq -o /var/tmp/from_scwrl_1180803185.pdb > /var/tmp/scwrl_1180803185.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1180803185.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 # Found a chain break before 188 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS5 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_634769847.pdb -s /var/tmp/to_scwrl_634769847.seq -o /var/tmp/from_scwrl_634769847.pdb > /var/tmp/scwrl_634769847.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_634769847.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_POPULUS_TS5-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0297 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS1 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_132659415.pdb -s /var/tmp/to_scwrl_132659415.seq -o /var/tmp/from_scwrl_132659415.pdb > /var/tmp/scwrl_132659415.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_132659415.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 T0297 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS2 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_872173600.pdb -s /var/tmp/to_scwrl_872173600.seq -o /var/tmp/from_scwrl_872173600.pdb > /var/tmp/scwrl_872173600.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_872173600.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 T0297 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS3 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1528330104.pdb -s /var/tmp/to_scwrl_1528330104.seq -o /var/tmp/from_scwrl_1528330104.pdb > /var/tmp/scwrl_1528330104.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1528330104.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 T0297 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS4 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_931596148.pdb -s /var/tmp/to_scwrl_931596148.seq -o /var/tmp/from_scwrl_931596148.pdb > /var/tmp/scwrl_931596148.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_931596148.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 T0297 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS5 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_57354713.pdb -s /var/tmp/to_scwrl_57354713.seq -o /var/tmp/from_scwrl_57354713.pdb > /var/tmp/scwrl_57354713.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_57354713.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 T0297 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS1 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1633624951.pdb -s /var/tmp/to_scwrl_1633624951.seq -o /var/tmp/from_scwrl_1633624951.pdb > /var/tmp/scwrl_1633624951.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1633624951.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 # Found a chain break before 194 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_TS2 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1141274698.pdb -s /var/tmp/to_scwrl_1141274698.seq -o /var/tmp/from_scwrl_1141274698.pdb > /var/tmp/scwrl_1141274698.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1141274698.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 T0297 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS3 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_974466260.pdb -s /var/tmp/to_scwrl_974466260.seq -o /var/tmp/from_scwrl_974466260.pdb > /var/tmp/scwrl_974466260.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_974466260.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 T0297 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS4 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_290608430.pdb -s /var/tmp/to_scwrl_290608430.seq -o /var/tmp/from_scwrl_290608430.pdb > /var/tmp/scwrl_290608430.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_290608430.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 T0297 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS5 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1354206023.pdb -s /var/tmp/to_scwrl_1354206023.seq -o /var/tmp/from_scwrl_1354206023.pdb > /var/tmp/scwrl_1354206023.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1354206023.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 174 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS1 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_190065911.pdb -s /var/tmp/to_scwrl_190065911.seq -o /var/tmp/from_scwrl_190065911.pdb > /var/tmp/scwrl_190065911.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_190065911.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 174 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS2 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1332422027.pdb -s /var/tmp/to_scwrl_1332422027.seq -o /var/tmp/from_scwrl_1332422027.pdb > /var/tmp/scwrl_1332422027.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1332422027.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 208 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS3 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_910986373.pdb -s /var/tmp/to_scwrl_910986373.seq -o /var/tmp/from_scwrl_910986373.pdb > /var/tmp/scwrl_910986373.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_910986373.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 156 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS4 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1790382555.pdb -s /var/tmp/to_scwrl_1790382555.seq -o /var/tmp/from_scwrl_1790382555.pdb > /var/tmp/scwrl_1790382555.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1790382555.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 195 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS5 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1016405996.pdb -s /var/tmp/to_scwrl_1016405996.seq -o /var/tmp/from_scwrl_1016405996.pdb > /var/tmp/scwrl_1016405996.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1016405996.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 185 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS1 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_859605986.pdb -s /var/tmp/to_scwrl_859605986.seq -o /var/tmp/from_scwrl_859605986.pdb > /var/tmp/scwrl_859605986.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_859605986.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 200 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS2 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1848243130.pdb -s /var/tmp/to_scwrl_1848243130.seq -o /var/tmp/from_scwrl_1848243130.pdb > /var/tmp/scwrl_1848243130.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1848243130.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 193 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS3 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_380112231.pdb -s /var/tmp/to_scwrl_380112231.seq -o /var/tmp/from_scwrl_380112231.pdb > /var/tmp/scwrl_380112231.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_380112231.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 178 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS4 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_707923814.pdb -s /var/tmp/to_scwrl_707923814.seq -o /var/tmp/from_scwrl_707923814.pdb > /var/tmp/scwrl_707923814.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_707923814.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 194 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS5 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_2088578306.pdb -s /var/tmp/to_scwrl_2088578306.seq -o /var/tmp/from_scwrl_2088578306.pdb > /var/tmp/scwrl_2088578306.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2088578306.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 164 # copying to AlignedFragments data structure # naming current conformation BayesHH_TS1 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_2022361555.pdb -s /var/tmp/to_scwrl_2022361555.seq -o /var/tmp/from_scwrl_2022361555.pdb > /var/tmp/scwrl_2022361555.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2022361555.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 171 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS1 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1981858527.pdb -s /var/tmp/to_scwrl_1981858527.seq -o /var/tmp/from_scwrl_1981858527.pdb > /var/tmp/scwrl_1981858527.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1981858527.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 191 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS2 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1092376272.pdb -s /var/tmp/to_scwrl_1092376272.seq -o /var/tmp/from_scwrl_1092376272.pdb > /var/tmp/scwrl_1092376272.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1092376272.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 198 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS3 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1544957208.pdb -s /var/tmp/to_scwrl_1544957208.seq -o /var/tmp/from_scwrl_1544957208.pdb > /var/tmp/scwrl_1544957208.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1544957208.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 198 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS4 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1413312970.pdb -s /var/tmp/to_scwrl_1413312970.seq -o /var/tmp/from_scwrl_1413312970.pdb > /var/tmp/scwrl_1413312970.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1413312970.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 198 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS5 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_805999585.pdb -s /var/tmp/to_scwrl_805999585.seq -o /var/tmp/from_scwrl_805999585.pdb > /var/tmp/scwrl_805999585.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_805999585.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 208 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS1 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1169588439.pdb -s /var/tmp/to_scwrl_1169588439.seq -o /var/tmp/from_scwrl_1169588439.pdb > /var/tmp/scwrl_1169588439.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1169588439.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS1-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0297 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS2 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1974872249.pdb -s /var/tmp/to_scwrl_1974872249.seq -o /var/tmp/from_scwrl_1974872249.pdb > /var/tmp/scwrl_1974872249.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1974872249.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS2-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0297 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS3 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_703838101.pdb -s /var/tmp/to_scwrl_703838101.seq -o /var/tmp/from_scwrl_703838101.pdb > /var/tmp/scwrl_703838101.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_703838101.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS3-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0297 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS4 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_202907979.pdb -s /var/tmp/to_scwrl_202907979.seq -o /var/tmp/from_scwrl_202907979.pdb > /var/tmp/scwrl_202907979.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_202907979.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS4-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0297 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS5 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_462158449.pdb -s /var/tmp/to_scwrl_462158449.seq -o /var/tmp/from_scwrl_462158449.pdb > /var/tmp/scwrl_462158449.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_462158449.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS5-scwrl # ReadConformPDB reading from PDB file servers/CPHmodels_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0297 can't currently be optimized by undertaker # naming current conformation CPHmodels_TS1 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_836497516.pdb -s /var/tmp/to_scwrl_836497516.seq -o /var/tmp/from_scwrl_836497516.pdb > /var/tmp/scwrl_836497516.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_836497516.pdb # conformation set from SCWRL output # naming current conformation CPHmodels_TS1-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS1.pdb.gz looking for model 1 # Found a chain break before 182 # copying to AlignedFragments data structure # naming current conformation CaspIta-FOX_TS1 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1075081578.pdb -s /var/tmp/to_scwrl_1075081578.seq -o /var/tmp/from_scwrl_1075081578.pdb > /var/tmp/scwrl_1075081578.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1075081578.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 # Found a chain break before 188 # copying to AlignedFragments data structure # naming current conformation CaspIta-FOX_TS2 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1990488553.pdb -s /var/tmp/to_scwrl_1990488553.seq -o /var/tmp/from_scwrl_1990488553.pdb > /var/tmp/scwrl_1990488553.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1990488553.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 T0297 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS3 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1768093664.pdb -s /var/tmp/to_scwrl_1768093664.seq -o /var/tmp/from_scwrl_1768093664.pdb > /var/tmp/scwrl_1768093664.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1768093664.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 T0297 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS4 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1132436291.pdb -s /var/tmp/to_scwrl_1132436291.seq -o /var/tmp/from_scwrl_1132436291.pdb > /var/tmp/scwrl_1132436291.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1132436291.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 T0297 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS5 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1476629858.pdb -s /var/tmp/to_scwrl_1476629858.seq -o /var/tmp/from_scwrl_1476629858.pdb > /var/tmp/scwrl_1476629858.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1476629858.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 T0297 can't currently be optimized by undertaker # naming current conformation Distill_TS1 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_761884716.pdb -s /var/tmp/to_scwrl_761884716.seq -o /var/tmp/from_scwrl_761884716.pdb > /var/tmp/scwrl_761884716.log Error: Couldn't open file /var/tmp/from_scwrl_761884716.pdb or /var/tmp/from_scwrl_761884716.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_761884716_b.pdb or decoys//var/tmp/from_scwrl_761884716_b.pdb.gz for input Trying /var/tmp/from_scwrl_761884716_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_761884716_b.pdb or /var/tmp/from_scwrl_761884716_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_761884716_a.pdb or decoys//var/tmp/from_scwrl_761884716_a.pdb.gz for input Trying /var/tmp/from_scwrl_761884716_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_761884716_a.pdb or /var/tmp/from_scwrl_761884716_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_761884716.pdb or /var/tmp/from_scwrl_761884716_b.pdb or /var/tmp/from_scwrl_761884716_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 T0297 can't currently be optimized by undertaker # naming current conformation Distill_TS2 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_2106902551.pdb -s /var/tmp/to_scwrl_2106902551.seq -o /var/tmp/from_scwrl_2106902551.pdb > /var/tmp/scwrl_2106902551.log Error: Couldn't open file /var/tmp/from_scwrl_2106902551.pdb or /var/tmp/from_scwrl_2106902551.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2106902551_b.pdb or decoys//var/tmp/from_scwrl_2106902551_b.pdb.gz for input Trying /var/tmp/from_scwrl_2106902551_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2106902551_b.pdb or /var/tmp/from_scwrl_2106902551_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2106902551_a.pdb or decoys//var/tmp/from_scwrl_2106902551_a.pdb.gz for input Trying /var/tmp/from_scwrl_2106902551_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2106902551_a.pdb or /var/tmp/from_scwrl_2106902551_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2106902551.pdb or /var/tmp/from_scwrl_2106902551_b.pdb or /var/tmp/from_scwrl_2106902551_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 T0297 can't currently be optimized by undertaker # naming current conformation Distill_TS3 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1767238288.pdb -s /var/tmp/to_scwrl_1767238288.seq -o /var/tmp/from_scwrl_1767238288.pdb > /var/tmp/scwrl_1767238288.log Error: Couldn't open file /var/tmp/from_scwrl_1767238288.pdb or /var/tmp/from_scwrl_1767238288.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1767238288_b.pdb or decoys//var/tmp/from_scwrl_1767238288_b.pdb.gz for input Trying /var/tmp/from_scwrl_1767238288_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1767238288_b.pdb or /var/tmp/from_scwrl_1767238288_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1767238288_a.pdb or decoys//var/tmp/from_scwrl_1767238288_a.pdb.gz for input Trying /var/tmp/from_scwrl_1767238288_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1767238288_a.pdb or /var/tmp/from_scwrl_1767238288_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1767238288.pdb or /var/tmp/from_scwrl_1767238288_b.pdb or /var/tmp/from_scwrl_1767238288_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 T0297 can't currently be optimized by undertaker # naming current conformation Distill_TS4 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_2116090739.pdb -s /var/tmp/to_scwrl_2116090739.seq -o /var/tmp/from_scwrl_2116090739.pdb > /var/tmp/scwrl_2116090739.log Error: Couldn't open file /var/tmp/from_scwrl_2116090739.pdb or /var/tmp/from_scwrl_2116090739.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2116090739_b.pdb or decoys//var/tmp/from_scwrl_2116090739_b.pdb.gz for input Trying /var/tmp/from_scwrl_2116090739_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2116090739_b.pdb or /var/tmp/from_scwrl_2116090739_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2116090739_a.pdb or decoys//var/tmp/from_scwrl_2116090739_a.pdb.gz for input Trying /var/tmp/from_scwrl_2116090739_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2116090739_a.pdb or /var/tmp/from_scwrl_2116090739_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2116090739.pdb or /var/tmp/from_scwrl_2116090739_b.pdb or /var/tmp/from_scwrl_2116090739_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 T0297 can't currently be optimized by undertaker # naming current conformation Distill_TS5 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_149484815.pdb -s /var/tmp/to_scwrl_149484815.seq -o /var/tmp/from_scwrl_149484815.pdb > /var/tmp/scwrl_149484815.log Error: Couldn't open file /var/tmp/from_scwrl_149484815.pdb or /var/tmp/from_scwrl_149484815.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_149484815_b.pdb or decoys//var/tmp/from_scwrl_149484815_b.pdb.gz for input Trying /var/tmp/from_scwrl_149484815_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_149484815_b.pdb or /var/tmp/from_scwrl_149484815_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_149484815_a.pdb or decoys//var/tmp/from_scwrl_149484815_a.pdb.gz for input Trying /var/tmp/from_scwrl_149484815_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_149484815_a.pdb or /var/tmp/from_scwrl_149484815_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_149484815.pdb or /var/tmp/from_scwrl_149484815_b.pdb or /var/tmp/from_scwrl_149484815_a.pdb Error: no new SCWRL conformation added # naming current conformation Distill_TS5-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS1.pdb.gz looking for model 1 # Found a chain break before 210 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS1 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_952176669.pdb -s /var/tmp/to_scwrl_952176669.seq -o /var/tmp/from_scwrl_952176669.pdb > /var/tmp/scwrl_952176669.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_952176669.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 T0297 can't currently be optimized by undertaker # naming current conformation FAMSD_TS2 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_879593466.pdb -s /var/tmp/to_scwrl_879593466.seq -o /var/tmp/from_scwrl_879593466.pdb > /var/tmp/scwrl_879593466.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_879593466.pdb # conformation set from SCWRL output # naming current conformation FAMSD_TS2-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0297 can't currently be optimized by undertaker # naming current conformation FAMSD_TS3 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1939867371.pdb -s /var/tmp/to_scwrl_1939867371.seq -o /var/tmp/from_scwrl_1939867371.pdb > /var/tmp/scwrl_1939867371.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1939867371.pdb # conformation set from SCWRL output # naming current conformation FAMSD_TS3-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS4.pdb.gz looking for model 1 # Found a chain break before 208 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS4 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1968582665.pdb -s /var/tmp/to_scwrl_1968582665.seq -o /var/tmp/from_scwrl_1968582665.pdb > /var/tmp/scwrl_1968582665.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1968582665.pdb # conformation set from SCWRL output # naming current conformation FAMSD_TS4-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS5.pdb.gz looking for model 1 # Found a chain break before 210 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS5 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1739199451.pdb -s /var/tmp/to_scwrl_1739199451.seq -o /var/tmp/from_scwrl_1739199451.pdb > /var/tmp/scwrl_1739199451.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1739199451.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 207 # copying to AlignedFragments data structure # naming current conformation FAMS_TS1 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1640626854.pdb -s /var/tmp/to_scwrl_1640626854.seq -o /var/tmp/from_scwrl_1640626854.pdb > /var/tmp/scwrl_1640626854.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1640626854.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS1-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0297 can't currently be optimized by undertaker # naming current conformation FAMS_TS2 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_201211249.pdb -s /var/tmp/to_scwrl_201211249.seq -o /var/tmp/from_scwrl_201211249.pdb > /var/tmp/scwrl_201211249.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_201211249.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 T0297 can't currently be optimized by undertaker # naming current conformation FAMS_TS3 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_299639618.pdb -s /var/tmp/to_scwrl_299639618.seq -o /var/tmp/from_scwrl_299639618.pdb > /var/tmp/scwrl_299639618.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_299639618.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 208 # copying to AlignedFragments data structure # naming current conformation FAMS_TS4 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1581721513.pdb -s /var/tmp/to_scwrl_1581721513.seq -o /var/tmp/from_scwrl_1581721513.pdb > /var/tmp/scwrl_1581721513.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1581721513.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS4-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0297 can't currently be optimized by undertaker # naming current conformation FAMS_TS5 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_76089157.pdb -s /var/tmp/to_scwrl_76089157.seq -o /var/tmp/from_scwrl_76089157.pdb > /var/tmp/scwrl_76089157.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_76089157.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 191 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS1 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_134014498.pdb -s /var/tmp/to_scwrl_134014498.seq -o /var/tmp/from_scwrl_134014498.pdb > /var/tmp/scwrl_134014498.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_134014498.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 166 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS2 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_526614140.pdb -s /var/tmp/to_scwrl_526614140.seq -o /var/tmp/from_scwrl_526614140.pdb > /var/tmp/scwrl_526614140.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_526614140.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 186 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS3 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1621046366.pdb -s /var/tmp/to_scwrl_1621046366.seq -o /var/tmp/from_scwrl_1621046366.pdb > /var/tmp/scwrl_1621046366.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1621046366.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 187 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS4 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1547327468.pdb -s /var/tmp/to_scwrl_1547327468.seq -o /var/tmp/from_scwrl_1547327468.pdb > /var/tmp/scwrl_1547327468.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1547327468.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 208 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS5 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1332613724.pdb -s /var/tmp/to_scwrl_1332613724.seq -o /var/tmp/from_scwrl_1332613724.pdb > /var/tmp/scwrl_1332613724.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1332613724.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 T0297 can't currently be optimized by undertaker # naming current conformation FORTE1_AL1 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_643151159.pdb -s /var/tmp/to_scwrl_643151159.seq -o /var/tmp/from_scwrl_643151159.pdb > /var/tmp/scwrl_643151159.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_643151159.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 T0297 can't currently be optimized by undertaker # naming current conformation FORTE1_AL2 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1374716070.pdb -s /var/tmp/to_scwrl_1374716070.seq -o /var/tmp/from_scwrl_1374716070.pdb > /var/tmp/scwrl_1374716070.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1374716070.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 Skipped atom 163, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL3.pdb.gz Skipped atom 196, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL3.pdb.gz Skipped atom 209, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL3.pdb.gz Skipped atom 350, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL3.pdb.gz # WARNING: incomplete conformation T0297 can't currently be optimized by undertaker # naming current conformation FORTE1_AL3 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_2036451825.pdb -s /var/tmp/to_scwrl_2036451825.seq -o /var/tmp/from_scwrl_2036451825.pdb > /var/tmp/scwrl_2036451825.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2036451825.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 T0297 can't currently be optimized by undertaker # naming current conformation FORTE1_AL4 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_846059138.pdb -s /var/tmp/to_scwrl_846059138.seq -o /var/tmp/from_scwrl_846059138.pdb > /var/tmp/scwrl_846059138.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_846059138.pdb # conformation set from SCWRL output # naming current conformation FORTE1_AL4-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0297 can't currently be optimized by undertaker # naming current conformation FORTE1_AL5 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1836874519.pdb -s /var/tmp/to_scwrl_1836874519.seq -o /var/tmp/from_scwrl_1836874519.pdb > /var/tmp/scwrl_1836874519.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1836874519.pdb # conformation set from SCWRL output # naming current conformation FORTE1_AL5-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL1.pdb.gz looking for model 1 Skipped atom 163, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 196, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 209, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 350, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz # WARNING: incomplete conformation T0297 can't currently be optimized by undertaker # naming current conformation FORTE2_AL1 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_725465695.pdb -s /var/tmp/to_scwrl_725465695.seq -o /var/tmp/from_scwrl_725465695.pdb > /var/tmp/scwrl_725465695.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_725465695.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 T0297 can't currently be optimized by undertaker # naming current conformation FORTE2_AL2 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1921140716.pdb -s /var/tmp/to_scwrl_1921140716.seq -o /var/tmp/from_scwrl_1921140716.pdb > /var/tmp/scwrl_1921140716.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1921140716.pdb # conformation set from SCWRL output # naming current conformation FORTE2_AL2-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0297 can't currently be optimized by undertaker # naming current conformation FORTE2_AL3 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1679879426.pdb -s /var/tmp/to_scwrl_1679879426.seq -o /var/tmp/from_scwrl_1679879426.pdb > /var/tmp/scwrl_1679879426.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1679879426.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 T0297 can't currently be optimized by undertaker # naming current conformation FORTE2_AL4 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_346075712.pdb -s /var/tmp/to_scwrl_346075712.seq -o /var/tmp/from_scwrl_346075712.pdb > /var/tmp/scwrl_346075712.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_346075712.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 Skipped atom 282, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 284, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 286, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 288, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 330, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 332, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 334, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 336, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 362, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 364, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 366, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 368, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 446, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 448, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 450, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 452, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 546, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 548, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 550, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 552, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 722, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 724, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 726, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 728, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz # WARNING: incomplete conformation T0297 can't currently be optimized by undertaker # naming current conformation FORTE2_AL5 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_906093361.pdb -s /var/tmp/to_scwrl_906093361.seq -o /var/tmp/from_scwrl_906093361.pdb > /var/tmp/scwrl_906093361.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_906093361.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 207 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS1 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1009025638.pdb -s /var/tmp/to_scwrl_1009025638.seq -o /var/tmp/from_scwrl_1009025638.pdb > /var/tmp/scwrl_1009025638.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1009025638.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 210 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS2 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1107960427.pdb -s /var/tmp/to_scwrl_1107960427.seq -o /var/tmp/from_scwrl_1107960427.pdb > /var/tmp/scwrl_1107960427.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1107960427.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 210 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS3 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_865512265.pdb -s /var/tmp/to_scwrl_865512265.seq -o /var/tmp/from_scwrl_865512265.pdb > /var/tmp/scwrl_865512265.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_865512265.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 210 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS4 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_628780279.pdb -s /var/tmp/to_scwrl_628780279.seq -o /var/tmp/from_scwrl_628780279.pdb > /var/tmp/scwrl_628780279.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_628780279.pdb # conformation set from SCWRL output # naming current conformation FPSOLVER-SERVER_TS4-scwrl # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS5.pdb.gz looking for model 1 # Found a chain break before 210 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS5 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1076567519.pdb -s /var/tmp/to_scwrl_1076567519.seq -o /var/tmp/from_scwrl_1076567519.pdb > /var/tmp/scwrl_1076567519.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1076567519.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 # Found a chain break before 165 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS1 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1014997081.pdb -s /var/tmp/to_scwrl_1014997081.seq -o /var/tmp/from_scwrl_1014997081.pdb > /var/tmp/scwrl_1014997081.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1014997081.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 143 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS2 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1580956948.pdb -s /var/tmp/to_scwrl_1580956948.seq -o /var/tmp/from_scwrl_1580956948.pdb > /var/tmp/scwrl_1580956948.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1580956948.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 84 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS3 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1956160985.pdb -s /var/tmp/to_scwrl_1956160985.seq -o /var/tmp/from_scwrl_1956160985.pdb > /var/tmp/scwrl_1956160985.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1956160985.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 T0297 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS4 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_807380805.pdb -s /var/tmp/to_scwrl_807380805.seq -o /var/tmp/from_scwrl_807380805.pdb > /var/tmp/scwrl_807380805.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_807380805.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS4-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0297 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS5 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1402055966.pdb -s /var/tmp/to_scwrl_1402055966.seq -o /var/tmp/from_scwrl_1402055966.pdb > /var/tmp/scwrl_1402055966.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1402055966.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 T0297 can't currently be optimized by undertaker # naming current conformation FUGUE_AL1 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1547876789.pdb -s /var/tmp/to_scwrl_1547876789.seq -o /var/tmp/from_scwrl_1547876789.pdb > /var/tmp/scwrl_1547876789.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1547876789.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 T0297 can't currently be optimized by undertaker # naming current conformation FUGUE_AL2 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_300524012.pdb -s /var/tmp/to_scwrl_300524012.seq -o /var/tmp/from_scwrl_300524012.pdb > /var/tmp/scwrl_300524012.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_300524012.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 T0297 can't currently be optimized by undertaker # naming current conformation FUGUE_AL3 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1603267215.pdb -s /var/tmp/to_scwrl_1603267215.seq -o /var/tmp/from_scwrl_1603267215.pdb > /var/tmp/scwrl_1603267215.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1603267215.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 T0297 can't currently be optimized by undertaker # naming current conformation FUGUE_AL4 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1847516407.pdb -s /var/tmp/to_scwrl_1847516407.seq -o /var/tmp/from_scwrl_1847516407.pdb > /var/tmp/scwrl_1847516407.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1847516407.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 Skipped atom 163, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL5.pdb.gz Skipped atom 196, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL5.pdb.gz Skipped atom 209, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL5.pdb.gz Skipped atom 350, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL5.pdb.gz # WARNING: incomplete conformation T0297 can't currently be optimized by undertaker # naming current conformation FUGUE_AL5 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1882245525.pdb -s /var/tmp/to_scwrl_1882245525.seq -o /var/tmp/from_scwrl_1882245525.pdb > /var/tmp/scwrl_1882245525.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1882245525.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 208 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS1 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1679356372.pdb -s /var/tmp/to_scwrl_1679356372.seq -o /var/tmp/from_scwrl_1679356372.pdb > /var/tmp/scwrl_1679356372.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1679356372.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 210 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS2 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1981530906.pdb -s /var/tmp/to_scwrl_1981530906.seq -o /var/tmp/from_scwrl_1981530906.pdb > /var/tmp/scwrl_1981530906.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1981530906.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 210 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS3 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_261376018.pdb -s /var/tmp/to_scwrl_261376018.seq -o /var/tmp/from_scwrl_261376018.pdb > /var/tmp/scwrl_261376018.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_261376018.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 209 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS4 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1152919091.pdb -s /var/tmp/to_scwrl_1152919091.seq -o /var/tmp/from_scwrl_1152919091.pdb > /var/tmp/scwrl_1152919091.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1152919091.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 210 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS5 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1381374727.pdb -s /var/tmp/to_scwrl_1381374727.seq -o /var/tmp/from_scwrl_1381374727.pdb > /var/tmp/scwrl_1381374727.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1381374727.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS5-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS1.pdb.gz looking for model 1 # Found a chain break before 171 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS1 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1593989743.pdb -s /var/tmp/to_scwrl_1593989743.seq -o /var/tmp/from_scwrl_1593989743.pdb > /var/tmp/scwrl_1593989743.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1593989743.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 171 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS2 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1796070251.pdb -s /var/tmp/to_scwrl_1796070251.seq -o /var/tmp/from_scwrl_1796070251.pdb > /var/tmp/scwrl_1796070251.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1796070251.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 106 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS3 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_608607152.pdb -s /var/tmp/to_scwrl_608607152.seq -o /var/tmp/from_scwrl_608607152.pdb > /var/tmp/scwrl_608607152.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_608607152.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 # WARNING: incomplete conformation T0297 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS4 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1482957921.pdb -s /var/tmp/to_scwrl_1482957921.seq -o /var/tmp/from_scwrl_1482957921.pdb > /var/tmp/scwrl_1482957921.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1482957921.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 # WARNING: incomplete conformation T0297 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS5 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_494645742.pdb -s /var/tmp/to_scwrl_494645742.seq -o /var/tmp/from_scwrl_494645742.pdb > /var/tmp/scwrl_494645742.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_494645742.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 162 # copying to AlignedFragments data structure # naming current conformation HHpred1_TS1 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_297998024.pdb -s /var/tmp/to_scwrl_297998024.seq -o /var/tmp/from_scwrl_297998024.pdb > /var/tmp/scwrl_297998024.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_297998024.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 174 # copying to AlignedFragments data structure # naming current conformation HHpred2_TS1 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_60939969.pdb -s /var/tmp/to_scwrl_60939969.seq -o /var/tmp/from_scwrl_60939969.pdb > /var/tmp/scwrl_60939969.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_60939969.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 174 # copying to AlignedFragments data structure # naming current conformation HHpred3_TS1 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_268302812.pdb -s /var/tmp/to_scwrl_268302812.seq -o /var/tmp/from_scwrl_268302812.pdb > /var/tmp/scwrl_268302812.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_268302812.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 T0297 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS1 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1977877450.pdb -s /var/tmp/to_scwrl_1977877450.seq -o /var/tmp/from_scwrl_1977877450.pdb > /var/tmp/scwrl_1977877450.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1977877450.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 T0297 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS2 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_407015681.pdb -s /var/tmp/to_scwrl_407015681.seq -o /var/tmp/from_scwrl_407015681.pdb > /var/tmp/scwrl_407015681.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_407015681.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 T0297 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS3 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1174396172.pdb -s /var/tmp/to_scwrl_1174396172.seq -o /var/tmp/from_scwrl_1174396172.pdb > /var/tmp/scwrl_1174396172.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1174396172.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 T0297 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS4 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_839419441.pdb -s /var/tmp/to_scwrl_839419441.seq -o /var/tmp/from_scwrl_839419441.pdb > /var/tmp/scwrl_839419441.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_839419441.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 T0297 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS5 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1514976108.pdb -s /var/tmp/to_scwrl_1514976108.seq -o /var/tmp/from_scwrl_1514976108.pdb > /var/tmp/scwrl_1514976108.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1514976108.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 T0297 can't currently be optimized by undertaker # naming current conformation LOOPP_TS1 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_2039908438.pdb -s /var/tmp/to_scwrl_2039908438.seq -o /var/tmp/from_scwrl_2039908438.pdb > /var/tmp/scwrl_2039908438.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2039908438.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 T0297 can't currently be optimized by undertaker # naming current conformation LOOPP_TS2 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1468199720.pdb -s /var/tmp/to_scwrl_1468199720.seq -o /var/tmp/from_scwrl_1468199720.pdb > /var/tmp/scwrl_1468199720.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1468199720.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 T0297 can't currently be optimized by undertaker # naming current conformation LOOPP_TS3 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_444059982.pdb -s /var/tmp/to_scwrl_444059982.seq -o /var/tmp/from_scwrl_444059982.pdb > /var/tmp/scwrl_444059982.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_444059982.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 T0297 can't currently be optimized by undertaker # naming current conformation LOOPP_TS4 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_907421872.pdb -s /var/tmp/to_scwrl_907421872.seq -o /var/tmp/from_scwrl_907421872.pdb > /var/tmp/scwrl_907421872.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_907421872.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 T0297 can't currently be optimized by undertaker # naming current conformation LOOPP_TS5 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_901673022.pdb -s /var/tmp/to_scwrl_901673022.seq -o /var/tmp/from_scwrl_901673022.pdb > /var/tmp/scwrl_901673022.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_901673022.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 T0297 can't currently be optimized by undertaker # naming current conformation MIG_FROST_AL1 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_252737320.pdb -s /var/tmp/to_scwrl_252737320.seq -o /var/tmp/from_scwrl_252737320.pdb > /var/tmp/scwrl_252737320.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_252737320.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 171 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS1 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1714802676.pdb -s /var/tmp/to_scwrl_1714802676.seq -o /var/tmp/from_scwrl_1714802676.pdb > /var/tmp/scwrl_1714802676.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1714802676.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 210 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS2 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_156245341.pdb -s /var/tmp/to_scwrl_156245341.seq -o /var/tmp/from_scwrl_156245341.pdb > /var/tmp/scwrl_156245341.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_156245341.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 192 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS3 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1800614110.pdb -s /var/tmp/to_scwrl_1800614110.seq -o /var/tmp/from_scwrl_1800614110.pdb > /var/tmp/scwrl_1800614110.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1800614110.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 183 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS4 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_2015326688.pdb -s /var/tmp/to_scwrl_2015326688.seq -o /var/tmp/from_scwrl_2015326688.pdb > /var/tmp/scwrl_2015326688.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2015326688.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 200 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS5 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1759512556.pdb -s /var/tmp/to_scwrl_1759512556.seq -o /var/tmp/from_scwrl_1759512556.pdb > /var/tmp/scwrl_1759512556.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1759512556.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 190 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS1 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1500646870.pdb -s /var/tmp/to_scwrl_1500646870.seq -o /var/tmp/from_scwrl_1500646870.pdb > /var/tmp/scwrl_1500646870.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1500646870.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 196 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS2 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1750088566.pdb -s /var/tmp/to_scwrl_1750088566.seq -o /var/tmp/from_scwrl_1750088566.pdb > /var/tmp/scwrl_1750088566.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1750088566.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 209 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS3 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1291385281.pdb -s /var/tmp/to_scwrl_1291385281.seq -o /var/tmp/from_scwrl_1291385281.pdb > /var/tmp/scwrl_1291385281.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1291385281.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 198 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS4 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1334694129.pdb -s /var/tmp/to_scwrl_1334694129.seq -o /var/tmp/from_scwrl_1334694129.pdb > /var/tmp/scwrl_1334694129.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1334694129.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 195 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS5 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_2011464585.pdb -s /var/tmp/to_scwrl_2011464585.seq -o /var/tmp/from_scwrl_2011464585.pdb > /var/tmp/scwrl_2011464585.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2011464585.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 T0297 can't currently be optimized by undertaker # naming current conformation NN_PUT_lab_TS1 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_296820727.pdb -s /var/tmp/to_scwrl_296820727.seq -o /var/tmp/from_scwrl_296820727.pdb > /var/tmp/scwrl_296820727.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_296820727.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 190 ; scwrl3 -i /var/tmp/to_scwrl_568585211.pdb -s /var/tmp/to_scwrl_568585211.seq -o /var/tmp/from_scwrl_568585211.pdb > /var/tmp/scwrl_568585211.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_568585211.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 190 ; scwrl3 -i /var/tmp/to_scwrl_1457970681.pdb -s /var/tmp/to_scwrl_1457970681.seq -o /var/tmp/from_scwrl_1457970681.pdb > /var/tmp/scwrl_1457970681.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1457970681.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 190 ; scwrl3 -i /var/tmp/to_scwrl_2092890978.pdb -s /var/tmp/to_scwrl_2092890978.seq -o /var/tmp/from_scwrl_2092890978.pdb > /var/tmp/scwrl_2092890978.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2092890978.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 190 ; scwrl3 -i /var/tmp/to_scwrl_1177192362.pdb -s /var/tmp/to_scwrl_1177192362.seq -o /var/tmp/from_scwrl_1177192362.pdb > /var/tmp/scwrl_1177192362.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1177192362.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 190 ; scwrl3 -i /var/tmp/to_scwrl_793444956.pdb -s /var/tmp/to_scwrl_793444956.seq -o /var/tmp/from_scwrl_793444956.pdb > /var/tmp/scwrl_793444956.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_793444956.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 T0297 can't currently be optimized by undertaker # naming current conformation PROTINFO_TS1 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_440053073.pdb -s /var/tmp/to_scwrl_440053073.seq -o /var/tmp/from_scwrl_440053073.pdb > /var/tmp/scwrl_440053073.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_440053073.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS1-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS2.pdb.gz looking for model 1 # Found a chain break before 188 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS2 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1475190386.pdb -s /var/tmp/to_scwrl_1475190386.seq -o /var/tmp/from_scwrl_1475190386.pdb > /var/tmp/scwrl_1475190386.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1475190386.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS2-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS3.pdb.gz looking for model 1 # Found a chain break before 170 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS3 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_854384926.pdb -s /var/tmp/to_scwrl_854384926.seq -o /var/tmp/from_scwrl_854384926.pdb > /var/tmp/scwrl_854384926.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_854384926.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 190 ; scwrl3 -i /var/tmp/to_scwrl_708355885.pdb -s /var/tmp/to_scwrl_708355885.seq -o /var/tmp/from_scwrl_708355885.pdb > /var/tmp/scwrl_708355885.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_708355885.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 # naming current conformation PROTINFO_TS5 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1305584190.pdb -s /var/tmp/to_scwrl_1305584190.seq -o /var/tmp/from_scwrl_1305584190.pdb > /var/tmp/scwrl_1305584190.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1305584190.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 T0297 can't currently be optimized by undertaker # naming current conformation Pcons6_TS1 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1261400606.pdb -s /var/tmp/to_scwrl_1261400606.seq -o /var/tmp/from_scwrl_1261400606.pdb > /var/tmp/scwrl_1261400606.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1261400606.pdb # conformation set from SCWRL output # naming current conformation Pcons6_TS1-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0297 can't currently be optimized by undertaker # naming current conformation Pcons6_TS2 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1882752058.pdb -s /var/tmp/to_scwrl_1882752058.seq -o /var/tmp/from_scwrl_1882752058.pdb > /var/tmp/scwrl_1882752058.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1882752058.pdb # conformation set from SCWRL output # naming current conformation Pcons6_TS2-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0297 can't currently be optimized by undertaker # naming current conformation Pcons6_TS3 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_2145003631.pdb -s /var/tmp/to_scwrl_2145003631.seq -o /var/tmp/from_scwrl_2145003631.pdb > /var/tmp/scwrl_2145003631.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2145003631.pdb # conformation set from SCWRL output # naming current conformation Pcons6_TS3-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0297 can't currently be optimized by undertaker # naming current conformation Pcons6_TS4 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_628893069.pdb -s /var/tmp/to_scwrl_628893069.seq -o /var/tmp/from_scwrl_628893069.pdb > /var/tmp/scwrl_628893069.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_628893069.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 210 # copying to AlignedFragments data structure # naming current conformation Pcons6_TS5 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1775176849.pdb -s /var/tmp/to_scwrl_1775176849.seq -o /var/tmp/from_scwrl_1775176849.pdb > /var/tmp/scwrl_1775176849.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1775176849.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 T0297 can't currently be optimized by undertaker # naming current conformation Phyre-1_TS1 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1465719704.pdb -s /var/tmp/to_scwrl_1465719704.seq -o /var/tmp/from_scwrl_1465719704.pdb > /var/tmp/scwrl_1465719704.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1465719704.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 T0297 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 190 ; scwrl3 -i /var/tmp/to_scwrl_1072953051.pdb -s /var/tmp/to_scwrl_1072953051.seq -o /var/tmp/from_scwrl_1072953051.pdb > /var/tmp/scwrl_1072953051.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1072953051.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 T0297 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 190 ; scwrl3 -i /var/tmp/to_scwrl_535115074.pdb -s /var/tmp/to_scwrl_535115074.seq -o /var/tmp/from_scwrl_535115074.pdb > /var/tmp/scwrl_535115074.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_535115074.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS2-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS3.pdb.gz looking for model 1 # Found a chain break before 194 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS3 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_219909079.pdb -s /var/tmp/to_scwrl_219909079.seq -o /var/tmp/from_scwrl_219909079.pdb > /var/tmp/scwrl_219909079.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_219909079.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 T0297 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 190 ; scwrl3 -i /var/tmp/to_scwrl_1325690370.pdb -s /var/tmp/to_scwrl_1325690370.seq -o /var/tmp/from_scwrl_1325690370.pdb > /var/tmp/scwrl_1325690370.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1325690370.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS4-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS5.pdb.gz looking for model 1 # Found a chain break before 210 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS5 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_102434103.pdb -s /var/tmp/to_scwrl_102434103.seq -o /var/tmp/from_scwrl_102434103.pdb > /var/tmp/scwrl_102434103.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_102434103.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS5-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0297 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS1 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_376154420.pdb -s /var/tmp/to_scwrl_376154420.seq -o /var/tmp/from_scwrl_376154420.pdb > /var/tmp/scwrl_376154420.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_376154420.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS1-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0297 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS2 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_978820834.pdb -s /var/tmp/to_scwrl_978820834.seq -o /var/tmp/from_scwrl_978820834.pdb > /var/tmp/scwrl_978820834.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_978820834.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS2-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0297 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS3 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_2117760791.pdb -s /var/tmp/to_scwrl_2117760791.seq -o /var/tmp/from_scwrl_2117760791.pdb > /var/tmp/scwrl_2117760791.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2117760791.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS3-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0297 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS4 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_2135666976.pdb -s /var/tmp/to_scwrl_2135666976.seq -o /var/tmp/from_scwrl_2135666976.pdb > /var/tmp/scwrl_2135666976.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2135666976.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS4-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0297 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS5 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_331984058.pdb -s /var/tmp/to_scwrl_331984058.seq -o /var/tmp/from_scwrl_331984058.pdb > /var/tmp/scwrl_331984058.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_331984058.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 171 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS1 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1720365710.pdb -s /var/tmp/to_scwrl_1720365710.seq -o /var/tmp/from_scwrl_1720365710.pdb > /var/tmp/scwrl_1720365710.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1720365710.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 162 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS2 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1279568611.pdb -s /var/tmp/to_scwrl_1279568611.seq -o /var/tmp/from_scwrl_1279568611.pdb > /var/tmp/scwrl_1279568611.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1279568611.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 191 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS3 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1666678187.pdb -s /var/tmp/to_scwrl_1666678187.seq -o /var/tmp/from_scwrl_1666678187.pdb > /var/tmp/scwrl_1666678187.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1666678187.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 208 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS4 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1584346648.pdb -s /var/tmp/to_scwrl_1584346648.seq -o /var/tmp/from_scwrl_1584346648.pdb > /var/tmp/scwrl_1584346648.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1584346648.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 162 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS5 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1576389338.pdb -s /var/tmp/to_scwrl_1576389338.seq -o /var/tmp/from_scwrl_1576389338.pdb > /var/tmp/scwrl_1576389338.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1576389338.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 194 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS1 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_87779751.pdb -s /var/tmp/to_scwrl_87779751.seq -o /var/tmp/from_scwrl_87779751.pdb > /var/tmp/scwrl_87779751.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_87779751.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 188 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS2 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_894833683.pdb -s /var/tmp/to_scwrl_894833683.seq -o /var/tmp/from_scwrl_894833683.pdb > /var/tmp/scwrl_894833683.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_894833683.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 191 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS3 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1521796669.pdb -s /var/tmp/to_scwrl_1521796669.seq -o /var/tmp/from_scwrl_1521796669.pdb > /var/tmp/scwrl_1521796669.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1521796669.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 194 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS4 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1264972113.pdb -s /var/tmp/to_scwrl_1264972113.seq -o /var/tmp/from_scwrl_1264972113.pdb > /var/tmp/scwrl_1264972113.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1264972113.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 186 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS5 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1688278639.pdb -s /var/tmp/to_scwrl_1688278639.seq -o /var/tmp/from_scwrl_1688278639.pdb > /var/tmp/scwrl_1688278639.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1688278639.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 162 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS1 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1961849742.pdb -s /var/tmp/to_scwrl_1961849742.seq -o /var/tmp/from_scwrl_1961849742.pdb > /var/tmp/scwrl_1961849742.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1961849742.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 191 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS2 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_592678854.pdb -s /var/tmp/to_scwrl_592678854.seq -o /var/tmp/from_scwrl_592678854.pdb > /var/tmp/scwrl_592678854.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_592678854.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 183 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS3 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_395179918.pdb -s /var/tmp/to_scwrl_395179918.seq -o /var/tmp/from_scwrl_395179918.pdb > /var/tmp/scwrl_395179918.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_395179918.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 119 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS4 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_522721981.pdb -s /var/tmp/to_scwrl_522721981.seq -o /var/tmp/from_scwrl_522721981.pdb > /var/tmp/scwrl_522721981.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_522721981.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 199 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS5 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1898263044.pdb -s /var/tmp/to_scwrl_1898263044.seq -o /var/tmp/from_scwrl_1898263044.pdb > /var/tmp/scwrl_1898263044.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1898263044.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 194 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS1 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1656580524.pdb -s /var/tmp/to_scwrl_1656580524.seq -o /var/tmp/from_scwrl_1656580524.pdb > /var/tmp/scwrl_1656580524.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1656580524.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 188 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS2 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_257990392.pdb -s /var/tmp/to_scwrl_257990392.seq -o /var/tmp/from_scwrl_257990392.pdb > /var/tmp/scwrl_257990392.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_257990392.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 194 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS3 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1895783028.pdb -s /var/tmp/to_scwrl_1895783028.seq -o /var/tmp/from_scwrl_1895783028.pdb > /var/tmp/scwrl_1895783028.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1895783028.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 194 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS4 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_137989946.pdb -s /var/tmp/to_scwrl_137989946.seq -o /var/tmp/from_scwrl_137989946.pdb > /var/tmp/scwrl_137989946.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_137989946.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 194 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS5 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_2033167241.pdb -s /var/tmp/to_scwrl_2033167241.seq -o /var/tmp/from_scwrl_2033167241.pdb > /var/tmp/scwrl_2033167241.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2033167241.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: incomplete conformation T0297 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS1 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1214019086.pdb -s /var/tmp/to_scwrl_1214019086.seq -o /var/tmp/from_scwrl_1214019086.pdb > /var/tmp/scwrl_1214019086.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1214019086.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: incomplete conformation T0297 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS2 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1210942996.pdb -s /var/tmp/to_scwrl_1210942996.seq -o /var/tmp/from_scwrl_1210942996.pdb > /var/tmp/scwrl_1210942996.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1210942996.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS2-scwrl # ReadConformPDB reading from PDB file servers/SAM-T02_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0297 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL1 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_420798668.pdb -s /var/tmp/to_scwrl_420798668.seq -o /var/tmp/from_scwrl_420798668.pdb > /var/tmp/scwrl_420798668.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_420798668.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 T0297 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL2 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1433928165.pdb -s /var/tmp/to_scwrl_1433928165.seq -o /var/tmp/from_scwrl_1433928165.pdb > /var/tmp/scwrl_1433928165.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1433928165.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 Skipped atom 163, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 196, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 209, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 342, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz # WARNING: incomplete conformation T0297 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL3 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_389149721.pdb -s /var/tmp/to_scwrl_389149721.seq -o /var/tmp/from_scwrl_389149721.pdb > /var/tmp/scwrl_389149721.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_389149721.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 T0297 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL4 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_523232771.pdb -s /var/tmp/to_scwrl_523232771.seq -o /var/tmp/from_scwrl_523232771.pdb > /var/tmp/scwrl_523232771.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_523232771.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 T0297 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL5 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1810082586.pdb -s /var/tmp/to_scwrl_1810082586.seq -o /var/tmp/from_scwrl_1810082586.pdb > /var/tmp/scwrl_1810082586.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1810082586.pdb # conformation set from SCWRL output # naming current conformation SAM-T02_AL5-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0297 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL1 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1367970554.pdb -s /var/tmp/to_scwrl_1367970554.seq -o /var/tmp/from_scwrl_1367970554.pdb > /var/tmp/scwrl_1367970554.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1367970554.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL1-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0297 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL2 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_493509915.pdb -s /var/tmp/to_scwrl_493509915.seq -o /var/tmp/from_scwrl_493509915.pdb > /var/tmp/scwrl_493509915.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_493509915.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL2-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0297 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL3 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1798265915.pdb -s /var/tmp/to_scwrl_1798265915.seq -o /var/tmp/from_scwrl_1798265915.pdb > /var/tmp/scwrl_1798265915.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1798265915.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL3-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0297 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL4 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1699954612.pdb -s /var/tmp/to_scwrl_1699954612.seq -o /var/tmp/from_scwrl_1699954612.pdb > /var/tmp/scwrl_1699954612.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1699954612.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL4-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0297 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL5 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_66391978.pdb -s /var/tmp/to_scwrl_66391978.seq -o /var/tmp/from_scwrl_66391978.pdb > /var/tmp/scwrl_66391978.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_66391978.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL5-scwrl # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS1.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # naming current conformation SAM_T06_server_TS1 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_930350880.pdb -s /var/tmp/to_scwrl_930350880.seq -o /var/tmp/from_scwrl_930350880.pdb > /var/tmp/scwrl_930350880.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_930350880.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 T0297 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS2 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1219149153.pdb -s /var/tmp/to_scwrl_1219149153.seq -o /var/tmp/from_scwrl_1219149153.pdb > /var/tmp/scwrl_1219149153.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1219149153.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 T0297 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS3 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1650738627.pdb -s /var/tmp/to_scwrl_1650738627.seq -o /var/tmp/from_scwrl_1650738627.pdb > /var/tmp/scwrl_1650738627.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1650738627.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 T0297 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS4 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_359256571.pdb -s /var/tmp/to_scwrl_359256571.seq -o /var/tmp/from_scwrl_359256571.pdb > /var/tmp/scwrl_359256571.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_359256571.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 T0297 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS5 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1306928904.pdb -s /var/tmp/to_scwrl_1306928904.seq -o /var/tmp/from_scwrl_1306928904.pdb > /var/tmp/scwrl_1306928904.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1306928904.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 171 # copying to AlignedFragments data structure # naming current conformation SP3_TS1 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_398088663.pdb -s /var/tmp/to_scwrl_398088663.seq -o /var/tmp/from_scwrl_398088663.pdb > /var/tmp/scwrl_398088663.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_398088663.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 123 # copying to AlignedFragments data structure # naming current conformation SP3_TS2 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1881053240.pdb -s /var/tmp/to_scwrl_1881053240.seq -o /var/tmp/from_scwrl_1881053240.pdb > /var/tmp/scwrl_1881053240.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1881053240.pdb # conformation set from SCWRL output # naming current conformation SP3_TS2-scwrl # ReadConformPDB reading from PDB file servers/SP3_TS3.pdb.gz looking for model 1 # Found a chain break before 176 # copying to AlignedFragments data structure # naming current conformation SP3_TS3 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_424417372.pdb -s /var/tmp/to_scwrl_424417372.seq -o /var/tmp/from_scwrl_424417372.pdb > /var/tmp/scwrl_424417372.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_424417372.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 192 # copying to AlignedFragments data structure # naming current conformation SP3_TS4 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_2086367302.pdb -s /var/tmp/to_scwrl_2086367302.seq -o /var/tmp/from_scwrl_2086367302.pdb > /var/tmp/scwrl_2086367302.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2086367302.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 192 # copying to AlignedFragments data structure # naming current conformation SP3_TS5 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1695419336.pdb -s /var/tmp/to_scwrl_1695419336.seq -o /var/tmp/from_scwrl_1695419336.pdb > /var/tmp/scwrl_1695419336.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1695419336.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 162 # copying to AlignedFragments data structure # naming current conformation SP4_TS1 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1017096226.pdb -s /var/tmp/to_scwrl_1017096226.seq -o /var/tmp/from_scwrl_1017096226.pdb > /var/tmp/scwrl_1017096226.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1017096226.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 210 # copying to AlignedFragments data structure # naming current conformation SP4_TS2 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_334063573.pdb -s /var/tmp/to_scwrl_334063573.seq -o /var/tmp/from_scwrl_334063573.pdb > /var/tmp/scwrl_334063573.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_334063573.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 192 # copying to AlignedFragments data structure # naming current conformation SP4_TS3 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_70657670.pdb -s /var/tmp/to_scwrl_70657670.seq -o /var/tmp/from_scwrl_70657670.pdb > /var/tmp/scwrl_70657670.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_70657670.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 178 # copying to AlignedFragments data structure # naming current conformation SP4_TS4 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_767875623.pdb -s /var/tmp/to_scwrl_767875623.seq -o /var/tmp/from_scwrl_767875623.pdb > /var/tmp/scwrl_767875623.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_767875623.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 163 # copying to AlignedFragments data structure # naming current conformation SP4_TS5 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1990644098.pdb -s /var/tmp/to_scwrl_1990644098.seq -o /var/tmp/from_scwrl_1990644098.pdb > /var/tmp/scwrl_1990644098.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1990644098.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 162 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS1 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_328648062.pdb -s /var/tmp/to_scwrl_328648062.seq -o /var/tmp/from_scwrl_328648062.pdb > /var/tmp/scwrl_328648062.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_328648062.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 176 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS2 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_516175004.pdb -s /var/tmp/to_scwrl_516175004.seq -o /var/tmp/from_scwrl_516175004.pdb > /var/tmp/scwrl_516175004.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_516175004.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 123 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS3 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_2128634044.pdb -s /var/tmp/to_scwrl_2128634044.seq -o /var/tmp/from_scwrl_2128634044.pdb > /var/tmp/scwrl_2128634044.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2128634044.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 192 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS4 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_214331656.pdb -s /var/tmp/to_scwrl_214331656.seq -o /var/tmp/from_scwrl_214331656.pdb > /var/tmp/scwrl_214331656.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_214331656.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 163 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS5 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1730194090.pdb -s /var/tmp/to_scwrl_1730194090.seq -o /var/tmp/from_scwrl_1730194090.pdb > /var/tmp/scwrl_1730194090.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1730194090.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 T0297 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS1 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1192093394.pdb -s /var/tmp/to_scwrl_1192093394.seq -o /var/tmp/from_scwrl_1192093394.pdb > /var/tmp/scwrl_1192093394.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1192093394.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 T0297 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS2 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_635130324.pdb -s /var/tmp/to_scwrl_635130324.seq -o /var/tmp/from_scwrl_635130324.pdb > /var/tmp/scwrl_635130324.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_635130324.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 T0297 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS3 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1016638610.pdb -s /var/tmp/to_scwrl_1016638610.seq -o /var/tmp/from_scwrl_1016638610.pdb > /var/tmp/scwrl_1016638610.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1016638610.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 T0297 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS4 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1581243115.pdb -s /var/tmp/to_scwrl_1581243115.seq -o /var/tmp/from_scwrl_1581243115.pdb > /var/tmp/scwrl_1581243115.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1581243115.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 T0297 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS5 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1158363094.pdb -s /var/tmp/to_scwrl_1158363094.seq -o /var/tmp/from_scwrl_1158363094.pdb > /var/tmp/scwrl_1158363094.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1158363094.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 T0297 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation UNI-EID_expm_TS1 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_679237549.pdb -s /var/tmp/to_scwrl_679237549.seq -o /var/tmp/from_scwrl_679237549.pdb > /var/tmp/scwrl_679237549.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_679237549.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 T0297 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL1 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_801730023.pdb -s /var/tmp/to_scwrl_801730023.seq -o /var/tmp/from_scwrl_801730023.pdb > /var/tmp/scwrl_801730023.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_801730023.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 T0297 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL2 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1651873009.pdb -s /var/tmp/to_scwrl_1651873009.seq -o /var/tmp/from_scwrl_1651873009.pdb > /var/tmp/scwrl_1651873009.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1651873009.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 T0297 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL3 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_330019817.pdb -s /var/tmp/to_scwrl_330019817.seq -o /var/tmp/from_scwrl_330019817.pdb > /var/tmp/scwrl_330019817.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_330019817.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 T0297 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL4 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_354200989.pdb -s /var/tmp/to_scwrl_354200989.seq -o /var/tmp/from_scwrl_354200989.pdb > /var/tmp/scwrl_354200989.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_354200989.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 T0297 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL5 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1718264987.pdb -s /var/tmp/to_scwrl_1718264987.seq -o /var/tmp/from_scwrl_1718264987.pdb > /var/tmp/scwrl_1718264987.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1718264987.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 210 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS1 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1260370697.pdb -s /var/tmp/to_scwrl_1260370697.seq -o /var/tmp/from_scwrl_1260370697.pdb > /var/tmp/scwrl_1260370697.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1260370697.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 192 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS2 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1573350142.pdb -s /var/tmp/to_scwrl_1573350142.seq -o /var/tmp/from_scwrl_1573350142.pdb > /var/tmp/scwrl_1573350142.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1573350142.pdb # conformation set from SCWRL output # naming current conformation Zhang-Server_TS2-scwrl # ReadConformPDB reading from PDB file servers/Zhang-Server_TS3.pdb.gz looking for model 1 # Found a chain break before 195 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS3 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1221519967.pdb -s /var/tmp/to_scwrl_1221519967.seq -o /var/tmp/from_scwrl_1221519967.pdb > /var/tmp/scwrl_1221519967.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1221519967.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 195 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS4 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1619627268.pdb -s /var/tmp/to_scwrl_1619627268.seq -o /var/tmp/from_scwrl_1619627268.pdb > /var/tmp/scwrl_1619627268.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1619627268.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 184 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS5 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_732795400.pdb -s /var/tmp/to_scwrl_732795400.seq -o /var/tmp/from_scwrl_732795400.pdb > /var/tmp/scwrl_732795400.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_732795400.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 208 # copying to AlignedFragments data structure # naming current conformation beautshot_TS1 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1619608631.pdb -s /var/tmp/to_scwrl_1619608631.seq -o /var/tmp/from_scwrl_1619608631.pdb > /var/tmp/scwrl_1619608631.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1619608631.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 199 # copying to AlignedFragments data structure # naming current conformation beautshotbase_TS1 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1353196862.pdb -s /var/tmp/to_scwrl_1353196862.seq -o /var/tmp/from_scwrl_1353196862.pdb > /var/tmp/scwrl_1353196862.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1353196862.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 Skipped atom 163, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL1.pdb.gz Skipped atom 196, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL1.pdb.gz Skipped atom 209, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL1.pdb.gz Skipped atom 362, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL1.pdb.gz # WARNING: incomplete conformation T0297 can't currently be optimized by undertaker # naming current conformation forecast-s_AL1 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1157212771.pdb -s /var/tmp/to_scwrl_1157212771.seq -o /var/tmp/from_scwrl_1157212771.pdb > /var/tmp/scwrl_1157212771.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1157212771.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 T0297 can't currently be optimized by undertaker # naming current conformation forecast-s_AL2 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1558492286.pdb -s /var/tmp/to_scwrl_1558492286.seq -o /var/tmp/from_scwrl_1558492286.pdb > /var/tmp/scwrl_1558492286.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1558492286.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 T0297 can't currently be optimized by undertaker # naming current conformation forecast-s_AL3 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_901132552.pdb -s /var/tmp/to_scwrl_901132552.seq -o /var/tmp/from_scwrl_901132552.pdb > /var/tmp/scwrl_901132552.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_901132552.pdb # conformation set from SCWRL output # naming current conformation forecast-s_AL3-scwrl # ReadConformPDB reading from PDB file servers/forecast-s_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0297 can't currently be optimized by undertaker # naming current conformation forecast-s_AL4 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_26825350.pdb -s /var/tmp/to_scwrl_26825350.seq -o /var/tmp/from_scwrl_26825350.pdb > /var/tmp/scwrl_26825350.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_26825350.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 T0297 can't currently be optimized by undertaker # naming current conformation forecast-s_AL5 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1892555860.pdb -s /var/tmp/to_scwrl_1892555860.seq -o /var/tmp/from_scwrl_1892555860.pdb > /var/tmp/scwrl_1892555860.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1892555860.pdb # conformation set from SCWRL output # naming current conformation forecast-s_AL5-scwrl # ReadConformPDB reading from PDB file servers/gtg_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0297 can't currently be optimized by undertaker # naming current conformation gtg_AL1 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_971790222.pdb -s /var/tmp/to_scwrl_971790222.seq -o /var/tmp/from_scwrl_971790222.pdb > /var/tmp/scwrl_971790222.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_971790222.pdb # conformation set from SCWRL output # naming current conformation gtg_AL1-scwrl # ReadConformPDB reading from PDB file servers/gtg_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0297 can't currently be optimized by undertaker # naming current conformation gtg_AL2 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_794700973.pdb -s /var/tmp/to_scwrl_794700973.seq -o /var/tmp/from_scwrl_794700973.pdb > /var/tmp/scwrl_794700973.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_794700973.pdb # conformation set from SCWRL output # naming current conformation gtg_AL2-scwrl # ReadConformPDB reading from PDB file servers/gtg_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0297 can't currently be optimized by undertaker # naming current conformation gtg_AL3 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1735716311.pdb -s /var/tmp/to_scwrl_1735716311.seq -o /var/tmp/from_scwrl_1735716311.pdb > /var/tmp/scwrl_1735716311.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1735716311.pdb # conformation set from SCWRL output # naming current conformation gtg_AL3-scwrl # ReadConformPDB reading from PDB file servers/gtg_AL4.pdb.gz looking for model 1 Skipped atom 303, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL4.pdb.gz Skipped atom 423, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL4.pdb.gz Skipped atom 425, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL4.pdb.gz Skipped atom 427, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL4.pdb.gz Skipped atom 429, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL4.pdb.gz Skipped atom 512, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL4.pdb.gz Skipped atom 637, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL4.pdb.gz # WARNING: incomplete conformation T0297 can't currently be optimized by undertaker # naming current conformation gtg_AL4 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1300438283.pdb -s /var/tmp/to_scwrl_1300438283.seq -o /var/tmp/from_scwrl_1300438283.pdb > /var/tmp/scwrl_1300438283.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1300438283.pdb # conformation set from SCWRL output # naming current conformation gtg_AL4-scwrl # ReadConformPDB reading from PDB file servers/gtg_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0297 can't currently be optimized by undertaker # naming current conformation gtg_AL5 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1310875977.pdb -s /var/tmp/to_scwrl_1310875977.seq -o /var/tmp/from_scwrl_1310875977.pdb > /var/tmp/scwrl_1310875977.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1310875977.pdb # conformation set from SCWRL output # naming current conformation gtg_AL5-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS1.pdb.gz looking for model 1 # Found a chain break before 171 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS1 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1716866708.pdb -s /var/tmp/to_scwrl_1716866708.seq -o /var/tmp/from_scwrl_1716866708.pdb > /var/tmp/scwrl_1716866708.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1716866708.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 192 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS2 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1514769939.pdb -s /var/tmp/to_scwrl_1514769939.seq -o /var/tmp/from_scwrl_1514769939.pdb > /var/tmp/scwrl_1514769939.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1514769939.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 162 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS3 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_893586421.pdb -s /var/tmp/to_scwrl_893586421.seq -o /var/tmp/from_scwrl_893586421.pdb > /var/tmp/scwrl_893586421.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_893586421.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 171 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS4 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_761476456.pdb -s /var/tmp/to_scwrl_761476456.seq -o /var/tmp/from_scwrl_761476456.pdb > /var/tmp/scwrl_761476456.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_761476456.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 162 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS5 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_2416616.pdb -s /var/tmp/to_scwrl_2416616.seq -o /var/tmp/from_scwrl_2416616.pdb > /var/tmp/scwrl_2416616.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2416616.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.2_TS5-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS1.pdb.gz looking for model 1 WARNING: atoms too close: (T0297)S40.O and (T0297)I41.N only 0.000 apart, marking (T0297)I41.N as missing # WARNING: incomplete conformation T0297 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS1 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1910225030.pdb -s /var/tmp/to_scwrl_1910225030.seq -o /var/tmp/from_scwrl_1910225030.pdb > /var/tmp/scwrl_1910225030.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1910225030.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 208 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS2 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_195235924.pdb -s /var/tmp/to_scwrl_195235924.seq -o /var/tmp/from_scwrl_195235924.pdb > /var/tmp/scwrl_195235924.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_195235924.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS2-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS3.pdb.gz looking for model 1 # Found a chain break before 208 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS3 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1160779710.pdb -s /var/tmp/to_scwrl_1160779710.seq -o /var/tmp/from_scwrl_1160779710.pdb > /var/tmp/scwrl_1160779710.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1160779710.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 208 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS4 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_441978932.pdb -s /var/tmp/to_scwrl_441978932.seq -o /var/tmp/from_scwrl_441978932.pdb > /var/tmp/scwrl_441978932.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_441978932.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS4-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS5.pdb.gz looking for model 1 WARNING: atoms too close: (T0297)A163.O and (T0297)Y164.N only 0.000 apart, marking (T0297)Y164.N as missing # WARNING: incomplete conformation T0297 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS5 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_996965948.pdb -s /var/tmp/to_scwrl_996965948.seq -o /var/tmp/from_scwrl_996965948.pdb > /var/tmp/scwrl_996965948.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_996965948.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS5-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0297 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv_TS1 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_665169073.pdb -s /var/tmp/to_scwrl_665169073.seq -o /var/tmp/from_scwrl_665169073.pdb > /var/tmp/scwrl_665169073.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_665169073.pdb # conformation set from SCWRL output # naming current conformation karypis.srv_TS1-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0297 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv_TS2 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_771998750.pdb -s /var/tmp/to_scwrl_771998750.seq -o /var/tmp/from_scwrl_771998750.pdb > /var/tmp/scwrl_771998750.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_771998750.pdb # conformation set from SCWRL output # naming current conformation karypis.srv_TS2-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0297 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS3 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1351166936.pdb -s /var/tmp/to_scwrl_1351166936.seq -o /var/tmp/from_scwrl_1351166936.pdb > /var/tmp/scwrl_1351166936.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1351166936.pdb # conformation set from SCWRL output # naming current conformation karypis.srv_TS3-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0297 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS4 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_235950413.pdb -s /var/tmp/to_scwrl_235950413.seq -o /var/tmp/from_scwrl_235950413.pdb > /var/tmp/scwrl_235950413.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_235950413.pdb # conformation set from SCWRL output # naming current conformation karypis.srv_TS4-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0297 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS5 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_2032369447.pdb -s /var/tmp/to_scwrl_2032369447.seq -o /var/tmp/from_scwrl_2032369447.pdb > /var/tmp/scwrl_2032369447.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2032369447.pdb # conformation set from SCWRL output # naming current conformation karypis.srv_TS5-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS1.pdb.gz looking for model 1 # Found a chain break before 169 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS1 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_777033432.pdb -s /var/tmp/to_scwrl_777033432.seq -o /var/tmp/from_scwrl_777033432.pdb > /var/tmp/scwrl_777033432.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_777033432.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 # Found a chain break before 137 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS2 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1457470381.pdb -s /var/tmp/to_scwrl_1457470381.seq -o /var/tmp/from_scwrl_1457470381.pdb > /var/tmp/scwrl_1457470381.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1457470381.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 # Found a chain break before 172 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS3 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1504513068.pdb -s /var/tmp/to_scwrl_1504513068.seq -o /var/tmp/from_scwrl_1504513068.pdb > /var/tmp/scwrl_1504513068.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1504513068.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 # Found a chain break before 136 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS4 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1509828831.pdb -s /var/tmp/to_scwrl_1509828831.seq -o /var/tmp/from_scwrl_1509828831.pdb > /var/tmp/scwrl_1509828831.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1509828831.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 # Found a chain break before 145 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS5 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_929595366.pdb -s /var/tmp/to_scwrl_929595366.seq -o /var/tmp/from_scwrl_929595366.pdb > /var/tmp/scwrl_929595366.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_929595366.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 T0297 can't currently be optimized by undertaker # naming current conformation mGen-3D_TS1 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_710226284.pdb -s /var/tmp/to_scwrl_710226284.seq -o /var/tmp/from_scwrl_710226284.pdb > /var/tmp/scwrl_710226284.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_710226284.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 T0297 can't currently be optimized by undertaker # naming current conformation nFOLD_TS1 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_519557957.pdb -s /var/tmp/to_scwrl_519557957.seq -o /var/tmp/from_scwrl_519557957.pdb > /var/tmp/scwrl_519557957.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_519557957.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: atom 1 has residue number 1 < previous residue 211 in servers/nFOLD_TS2.pdb.gz # WARNING: incomplete conformation T0297 can't currently be optimized by undertaker # naming current conformation nFOLD_TS2 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_340604005.pdb -s /var/tmp/to_scwrl_340604005.seq -o /var/tmp/from_scwrl_340604005.pdb > /var/tmp/scwrl_340604005.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_340604005.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: atom 1 has residue number 1 < previous residue 211 in servers/nFOLD_TS3.pdb.gz # WARNING: incomplete conformation T0297 can't currently be optimized by undertaker # naming current conformation nFOLD_TS3 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1611358835.pdb -s /var/tmp/to_scwrl_1611358835.seq -o /var/tmp/from_scwrl_1611358835.pdb > /var/tmp/scwrl_1611358835.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1611358835.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: atom 1 has residue number 1 < previous residue 211 in servers/nFOLD_TS4.pdb.gz # WARNING: incomplete conformation T0297 can't currently be optimized by undertaker # naming current conformation nFOLD_TS4 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_546383307.pdb -s /var/tmp/to_scwrl_546383307.seq -o /var/tmp/from_scwrl_546383307.pdb > /var/tmp/scwrl_546383307.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_546383307.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: atom 1 has residue number 1 < previous residue 211 in servers/nFOLD_TS5.pdb.gz # WARNING: incomplete conformation T0297 can't currently be optimized by undertaker # naming current conformation nFOLD_TS5 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_85676218.pdb -s /var/tmp/to_scwrl_85676218.seq -o /var/tmp/from_scwrl_85676218.pdb > /var/tmp/scwrl_85676218.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_85676218.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 T0297 can't currently be optimized by undertaker # naming current conformation panther2_TS1 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_435665410.pdb -s /var/tmp/to_scwrl_435665410.seq -o /var/tmp/from_scwrl_435665410.pdb > /var/tmp/scwrl_435665410.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_435665410.pdb # conformation set from SCWRL output # naming current conformation panther2_TS1-scwrl # ReadConformPDB reading from PDB file servers/shub_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0297 can't currently be optimized by undertaker # naming current conformation shub_TS1 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1341084280.pdb -s /var/tmp/to_scwrl_1341084280.seq -o /var/tmp/from_scwrl_1341084280.pdb > /var/tmp/scwrl_1341084280.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1341084280.pdb # conformation set from SCWRL output # naming current conformation shub_TS1-scwrl # command:CPU_time= 44.7412 sec, elapsed time= 469.442 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 = -47.3786 shub_TS1 costs 0 real_cost = -39.0883 panther2_TS1-scwrl costs 0 real_cost = 36.163 panther2_TS1 costs 0 real_cost = 40.75 nFOLD_TS5-scwrl costs 0 real_cost = 114.832 nFOLD_TS5 costs 0 real_cost = 196.867 nFOLD_TS4-scwrl costs 0 real_cost = 97.494 nFOLD_TS4 costs 0 real_cost = 176.289 nFOLD_TS3-scwrl costs 0 real_cost = 57.3159 nFOLD_TS3 costs 0 real_cost = 143.914 nFOLD_TS2-scwrl costs 0 real_cost = 35.8732 nFOLD_TS2 costs 0 real_cost = 106.675 nFOLD_TS1-scwrl costs 0 real_cost = -50.6508 nFOLD_TS1 costs 0 real_cost = 64.2341 mGen-3D_TS1-scwrl costs 0 real_cost = -70.4528 mGen-3D_TS1 costs 0 real_cost = 32.0064 keasar-server_TS5-scwrl costs 0 real_cost = -34.0854 keasar-server_TS5 costs 0 real_cost = -23.5016 keasar-server_TS4-scwrl costs 0 real_cost = -35.6097 keasar-server_TS4 costs 0 real_cost = -19.5371 keasar-server_TS3-scwrl costs 0 real_cost = -33.2212 keasar-server_TS3 costs 0 real_cost = -20.3071 keasar-server_TS2-scwrl costs 0 real_cost = -31.2825 keasar-server_TS2 costs 0 real_cost = -25.2254 keasar-server_TS1-scwrl costs 0 real_cost = -37.0612 keasar-server_TS1 costs 0 real_cost = -30.9208 karypis.srv_TS5-scwrl costs 0 real_cost = 292.503 karypis.srv_TS5 costs 0 real_cost = 290.399 karypis.srv_TS4-scwrl costs 0 real_cost = 62.4624 karypis.srv_TS4 costs 0 real_cost = 60.1714 karypis.srv_TS3-scwrl costs 0 real_cost = 80.2355 karypis.srv_TS3 costs 0 real_cost = 77.7354 karypis.srv_TS2-scwrl costs 0 real_cost = -38.5687 karypis.srv_TS2 costs 0 real_cost = -38.4842 karypis.srv_TS1-scwrl costs 0 real_cost = -55.5282 karypis.srv_TS1 costs 0 real_cost = -52.9512 karypis.srv.4_TS5-scwrl costs 0 real_cost = 277.716 karypis.srv.4_TS5 costs 0 real_cost = 275.986 karypis.srv.4_TS4-scwrl costs 0 real_cost = 310.056 karypis.srv.4_TS4 costs 0 real_cost = 310.056 karypis.srv.4_TS3-scwrl costs 0 real_cost = 344.022 karypis.srv.4_TS3 costs 0 real_cost = 344.063 karypis.srv.4_TS2-scwrl costs 0 real_cost = 350.623 karypis.srv.4_TS2 costs 0 real_cost = 350.623 karypis.srv.4_TS1-scwrl costs 0 real_cost = 267.207 karypis.srv.4_TS1 costs 0 real_cost = 267.194 karypis.srv.2_TS5-scwrl costs 0 real_cost = -75.5764 karypis.srv.2_TS5 costs 0 real_cost = -75.5764 karypis.srv.2_TS4-scwrl costs 0 real_cost = -46.5582 karypis.srv.2_TS4 costs 0 real_cost = -47.8955 karypis.srv.2_TS3-scwrl costs 0 real_cost = -64.6185 karypis.srv.2_TS3 costs 0 real_cost = -65.1492 karypis.srv.2_TS2-scwrl costs 0 real_cost = -66.701 karypis.srv.2_TS2 costs 0 real_cost = -66.701 karypis.srv.2_TS1-scwrl costs 0 real_cost = -42.0333 karypis.srv.2_TS1 costs 0 real_cost = -42.0333 gtg_AL5-scwrl costs 0 real_cost = 113.797 gtg_AL5 costs 0 real_cost = 223.38 gtg_AL4-scwrl costs 0 real_cost = 80.9234 gtg_AL4 costs 0 real_cost = 198.427 gtg_AL3-scwrl costs 0 real_cost = 88.4405 gtg_AL3 costs 0 real_cost = 192.472 gtg_AL2-scwrl costs 0 real_cost = 132.732 gtg_AL2 costs 0 real_cost = 229.284 gtg_AL1-scwrl costs 0 real_cost = -23.6626 gtg_AL1 costs 0 real_cost = 103.213 forecast-s_AL5-scwrl costs 0 real_cost = 109.905 forecast-s_AL5 costs 0 real_cost = 226.1 forecast-s_AL4-scwrl costs 0 real_cost = -65.6082 forecast-s_AL4 costs 0 real_cost = 92.8338 forecast-s_AL3-scwrl costs 0 real_cost = 97.597 forecast-s_AL3 costs 0 real_cost = 199.108 forecast-s_AL2-scwrl costs 0 real_cost = 93.5992 forecast-s_AL2 costs 0 real_cost = 218.476 forecast-s_AL1-scwrl costs 0 real_cost = 78.2737 forecast-s_AL1 costs 0 real_cost = 192.888 beautshotbase_TS1-scwrl costs 0 real_cost = -79.4559 beautshotbase_TS1 costs 0 real_cost = -73.7161 beautshot_TS1-scwrl costs 0 real_cost = -64.891 beautshot_TS1 costs 0 real_cost = -58.0862 Zhang-Server_TS5-scwrl costs 0 real_cost = -56.1764 Zhang-Server_TS5 costs 0 real_cost = -57.1567 Zhang-Server_TS4-scwrl costs 0 real_cost = -64.5484 Zhang-Server_TS4 costs 0 real_cost = -56.7482 Zhang-Server_TS3-scwrl costs 0 real_cost = -89.2354 Zhang-Server_TS3 costs 0 real_cost = -83.5106 Zhang-Server_TS2-scwrl costs 0 real_cost = -88.4241 Zhang-Server_TS2 costs 0 real_cost = -92.9831 Zhang-Server_TS1-scwrl costs 0 real_cost = -72.9634 Zhang-Server_TS1 costs 0 real_cost = -62.3582 UNI-EID_sfst_AL5-scwrl costs 0 real_cost = 40.6266 UNI-EID_sfst_AL5 costs 0 real_cost = 146.071 UNI-EID_sfst_AL4-scwrl costs 0 real_cost = -46.943 UNI-EID_sfst_AL4 costs 0 real_cost = 72.4188 UNI-EID_sfst_AL3-scwrl costs 0 real_cost = -43.0931 UNI-EID_sfst_AL3 costs 0 real_cost = 71.0696 UNI-EID_sfst_AL2-scwrl costs 0 real_cost = -35.1427 UNI-EID_sfst_AL2 costs 0 real_cost = 84.7406 UNI-EID_sfst_AL1-scwrl costs 0 real_cost = -39.8392 UNI-EID_sfst_AL1 costs 0 real_cost = 80.0458 UNI-EID_expm_TS1-scwrl costs 0 real_cost = -58.8093 UNI-EID_expm_TS1 costs 0 real_cost = 61.2054 UNI-EID_bnmx_TS5-scwrl costs 0 real_cost = 38.5305 UNI-EID_bnmx_TS5 costs 0 real_cost = 146.189 UNI-EID_bnmx_TS4-scwrl costs 0 real_cost = -58.2977 UNI-EID_bnmx_TS4 costs 0 real_cost = 87.4046 UNI-EID_bnmx_TS3-scwrl costs 0 real_cost = -30.2544 UNI-EID_bnmx_TS3 costs 0 real_cost = 104.472 UNI-EID_bnmx_TS2-scwrl costs 0 real_cost = -38.3042 UNI-EID_bnmx_TS2 costs 0 real_cost = 97.981 UNI-EID_bnmx_TS1-scwrl costs 0 real_cost = -48.0786 UNI-EID_bnmx_TS1 costs 0 real_cost = 92.9169 SPARKS2_TS5-scwrl costs 0 real_cost = 97.3696 SPARKS2_TS5 costs 0 real_cost = 96.6653 SPARKS2_TS4-scwrl costs 0 real_cost = 56.4136 SPARKS2_TS4 costs 0 real_cost = 61.4782 SPARKS2_TS3-scwrl costs 0 real_cost = 30.033 SPARKS2_TS3 costs 0 real_cost = 36.8158 SPARKS2_TS2-scwrl costs 0 real_cost = 85.4304 SPARKS2_TS2 costs 0 real_cost = 80.5806 SPARKS2_TS1-scwrl costs 0 real_cost = -67.2112 SPARKS2_TS1 costs 0 real_cost = -68.8035 SP4_TS5-scwrl costs 0 real_cost = 109.619 SP4_TS5 costs 0 real_cost = 112.521 SP4_TS4-scwrl costs 0 real_cost = 43.4174 SP4_TS4 costs 0 real_cost = 42.4336 SP4_TS3-scwrl costs 0 real_cost = 76.1254 SP4_TS3 costs 0 real_cost = 75.2199 SP4_TS2-scwrl costs 0 real_cost = 38.2259 SP4_TS2 costs 0 real_cost = 37.2152 SP4_TS1-scwrl costs 0 real_cost = -87.4175 SP4_TS1 costs 0 real_cost = -90.86 SP3_TS5-scwrl costs 0 real_cost = 116.229 SP3_TS5 costs 0 real_cost = 114.1 SP3_TS4-scwrl costs 0 real_cost = 56.4136 SP3_TS4 costs 0 real_cost = 61.4782 SP3_TS3-scwrl costs 0 real_cost = 76.7865 SP3_TS3 costs 0 real_cost = 77.0402 SP3_TS2-scwrl costs 0 real_cost = 30.033 SP3_TS2 costs 0 real_cost = 36.8158 SP3_TS1-scwrl costs 0 real_cost = -89.8451 SP3_TS1 costs 0 real_cost = -90.9428 SAM_T06_server_TS5-scwrl costs 0 real_cost = 101.375 SAM_T06_server_TS5 costs 0 real_cost = 67.2185 SAM_T06_server_TS4-scwrl costs 0 real_cost = 132.696 SAM_T06_server_TS4 costs 0 real_cost = 109.751 SAM_T06_server_TS3-scwrl costs 0 real_cost = 141.941 SAM_T06_server_TS3 costs 0 real_cost = 101.214 SAM_T06_server_TS2-scwrl costs 0 real_cost = 112.404 SAM_T06_server_TS2 costs 0 real_cost = 22.4427 SAM_T06_server_TS1-scwrl costs 0 real_cost = -79.1681 SAM_T06_server_TS1 costs 0 real_cost = -76.4351 SAM-T99_AL5-scwrl costs 0 real_cost = -43.4181 SAM-T99_AL5 costs 0 real_cost = 107.1 SAM-T99_AL4-scwrl costs 0 real_cost = -40.3619 SAM-T99_AL4 costs 0 real_cost = 105.162 SAM-T99_AL3-scwrl costs 0 real_cost = -44.7293 SAM-T99_AL3 costs 0 real_cost = 106.154 SAM-T99_AL2-scwrl costs 0 real_cost = -43.6468 SAM-T99_AL2 costs 0 real_cost = 101.219 SAM-T99_AL1-scwrl costs 0 real_cost = -43.7196 SAM-T99_AL1 costs 0 real_cost = 100.587 SAM-T02_AL5-scwrl costs 0 real_cost = -50.271 SAM-T02_AL5 costs 0 real_cost = 103.205 SAM-T02_AL4-scwrl costs 0 real_cost = 169.598 SAM-T02_AL4 costs 0 real_cost = 287.832 SAM-T02_AL3-scwrl costs 0 real_cost = 62.5695 SAM-T02_AL3 costs 0 real_cost = 175.888 SAM-T02_AL2-scwrl costs 0 real_cost = 100.352 SAM-T02_AL2 costs 0 real_cost = 197.282 SAM-T02_AL1-scwrl costs 0 real_cost = -53.1328 SAM-T02_AL1 costs 0 real_cost = 95.9007 ROKKY_TS2-scwrl costs 0 real_cost = 236.477 ROKKY_TS2 costs 0 real_cost = 236.477 ROKKY_TS1-scwrl costs 0 real_cost = 133.493 ROKKY_TS1 costs 0 real_cost = 133.493 ROBETTA_TS5-scwrl costs 0 real_cost = -55.2511 ROBETTA_TS5 costs 0 real_cost = -58.3566 ROBETTA_TS4-scwrl costs 0 real_cost = -54.6097 ROBETTA_TS4 costs 0 real_cost = -52.7158 ROBETTA_TS3-scwrl costs 0 real_cost = -67.822 ROBETTA_TS3 costs 0 real_cost = -69.0497 ROBETTA_TS2-scwrl costs 0 real_cost = -40.4077 ROBETTA_TS2 costs 0 real_cost = -45.2575 ROBETTA_TS1-scwrl costs 0 real_cost = -90.7506 ROBETTA_TS1 costs 0 real_cost = -85.827 RAPTOR_TS5-scwrl costs 0 real_cost = -46.1808 RAPTOR_TS5 costs 0 real_cost = -43.5843 RAPTOR_TS4-scwrl costs 0 real_cost = 52.5502 RAPTOR_TS4 costs 0 real_cost = 58.8004 RAPTOR_TS3-scwrl costs 0 real_cost = 55.8169 RAPTOR_TS3 costs 0 real_cost = 60.8945 RAPTOR_TS2-scwrl costs 0 real_cost = -53.8465 RAPTOR_TS2 costs 0 real_cost = -46.3646 RAPTOR_TS1-scwrl costs 0 real_cost = -49.8182 RAPTOR_TS1 costs 0 real_cost = -47.2853 RAPTORESS_TS5-scwrl costs 0 real_cost = 194.56 RAPTORESS_TS5 costs 0 real_cost = 204.535 RAPTORESS_TS4-scwrl costs 0 real_cost = 125.91 RAPTORESS_TS4 costs 0 real_cost = 131.315 RAPTORESS_TS3-scwrl costs 0 real_cost = -44.9223 RAPTORESS_TS3 costs 0 real_cost = -34.957 RAPTORESS_TS2-scwrl costs 0 real_cost = -21.9455 RAPTORESS_TS2 costs 0 real_cost = -14.2989 RAPTORESS_TS1-scwrl costs 0 real_cost = -56.8705 RAPTORESS_TS1 costs 0 real_cost = -48.6757 RAPTOR-ACE_TS5-scwrl costs 0 real_cost = -53.1346 RAPTOR-ACE_TS5 costs 0 real_cost = -55.2692 RAPTOR-ACE_TS4-scwrl costs 0 real_cost = 40.4361 RAPTOR-ACE_TS4 costs 0 real_cost = 38.7529 RAPTOR-ACE_TS3-scwrl costs 0 real_cost = -59.4036 RAPTOR-ACE_TS3 costs 0 real_cost = -54.6366 RAPTOR-ACE_TS2-scwrl costs 0 real_cost = -60.7241 RAPTOR-ACE_TS2 costs 0 real_cost = -65.1357 RAPTOR-ACE_TS1-scwrl costs 0 real_cost = -89.8451 RAPTOR-ACE_TS1 costs 0 real_cost = -90.9428 Pmodeller6_TS5-scwrl costs 0 real_cost = -43.294 Pmodeller6_TS5 costs 0 real_cost = -49.0506 Pmodeller6_TS4-scwrl costs 0 real_cost = 54.9258 Pmodeller6_TS4 costs 0 real_cost = 53.1596 Pmodeller6_TS3-scwrl costs 0 real_cost = 74.0966 Pmodeller6_TS3 costs 0 real_cost = 71.8259 Pmodeller6_TS2-scwrl costs 0 real_cost = 14.7618 Pmodeller6_TS2 costs 0 real_cost = 10.862 Pmodeller6_TS1-scwrl costs 0 real_cost = 32.3525 Pmodeller6_TS1 costs 0 real_cost = 30.2605 Phyre-2_TS5-scwrl costs 0 real_cost = -44.084 Phyre-2_TS5 costs 0 real_cost = -35.6908 Phyre-2_TS4-scwrl costs 0 real_cost = -73.6147 Phyre-2_TS4 costs 0 real_cost = -71.959 Phyre-2_TS3-scwrl costs 0 real_cost = -75.5794 Phyre-2_TS3 costs 0 real_cost = -71.6215 Phyre-2_TS2-scwrl costs 0 real_cost = -75.6453 Phyre-2_TS2 costs 0 real_cost = -73.9216 Phyre-2_TS1-scwrl costs 0 real_cost = -64.9305 Phyre-2_TS1 costs 0 real_cost = -60.4302 Phyre-1_TS1-scwrl costs 0 real_cost = -70.4318 Phyre-1_TS1 costs 0 real_cost = -76.6742 Pcons6_TS5-scwrl costs 0 real_cost = -49.4138 Pcons6_TS5 costs 0 real_cost = -49.3715 Pcons6_TS4-scwrl costs 0 real_cost = -67.9008 Pcons6_TS4 costs 0 real_cost = -73.1919 Pcons6_TS3-scwrl costs 0 real_cost = -49.6299 Pcons6_TS3 costs 0 real_cost = -55.2799 Pcons6_TS2-scwrl costs 0 real_cost = -33.8921 Pcons6_TS2 costs 0 real_cost = -38.4026 Pcons6_TS1-scwrl costs 0 real_cost = -38.6359 Pcons6_TS1 costs 0 real_cost = -42.9406 PROTINFO_TS5-scwrl costs 0 real_cost = -62.7469 PROTINFO_TS5 costs 0 real_cost = -65.757 PROTINFO_TS4-scwrl costs 0 real_cost = -82.2523 PROTINFO_TS4 costs 0 real_cost = -87.0228 PROTINFO_TS3-scwrl costs 0 real_cost = -70.4454 PROTINFO_TS3 costs 0 real_cost = -66.2391 PROTINFO_TS2-scwrl costs 0 real_cost = -87.1255 PROTINFO_TS2 costs 0 real_cost = -85.0684 PROTINFO_TS1-scwrl costs 0 real_cost = 9.07705 PROTINFO_TS1 costs 0 real_cost = 12.0977 PROTINFO-AB_TS5-scwrl costs 0 real_cost = -55.8767 PROTINFO-AB_TS5 costs 0 real_cost = -56.1318 PROTINFO-AB_TS4-scwrl costs 0 real_cost = -80.5292 PROTINFO-AB_TS4 costs 0 real_cost = -78.5214 PROTINFO-AB_TS3-scwrl costs 0 real_cost = -82.5888 PROTINFO-AB_TS3 costs 0 real_cost = -83.1286 PROTINFO-AB_TS2-scwrl costs 0 real_cost = -82.2523 PROTINFO-AB_TS2 costs 0 real_cost = -87.0228 PROTINFO-AB_TS1-scwrl costs 0 real_cost = -78.0153 PROTINFO-AB_TS1 costs 0 real_cost = -83.6343 NN_PUT_lab_TS1-scwrl costs 0 real_cost = 7.45572 NN_PUT_lab_TS1 costs 0 real_cost = 143.787 MetaTasser_TS5-scwrl costs 0 real_cost = 36.0797 MetaTasser_TS5 costs 0 real_cost = 33.3432 MetaTasser_TS4-scwrl costs 0 real_cost = 42.4185 MetaTasser_TS4 costs 0 real_cost = 42.3182 MetaTasser_TS3-scwrl costs 0 real_cost = 6.90344 MetaTasser_TS3 costs 0 real_cost = 14.0942 MetaTasser_TS2-scwrl costs 0 real_cost = 19.1374 MetaTasser_TS2 costs 0 real_cost = 20.9441 MetaTasser_TS1-scwrl costs 0 real_cost = -56.2201 MetaTasser_TS1 costs 0 real_cost = -55.2971 Ma-OPUS-server_TS5-scwrl costs 0 real_cost = 253.223 Ma-OPUS-server_TS5 costs 0 real_cost = 253.862 Ma-OPUS-server_TS4-scwrl costs 0 real_cost = 99.3043 Ma-OPUS-server_TS4 costs 0 real_cost = 96.076 Ma-OPUS-server_TS3-scwrl costs 0 real_cost = 66.1659 Ma-OPUS-server_TS3 costs 0 real_cost = 71.4159 Ma-OPUS-server_TS2-scwrl costs 0 real_cost = 47.7448 Ma-OPUS-server_TS2 costs 0 real_cost = 51.5616 Ma-OPUS-server_TS1-scwrl costs 0 real_cost = -79.6394 Ma-OPUS-server_TS1 costs 0 real_cost = -82.8764 MIG_FROST_AL1-scwrl costs 0 real_cost = 370.696 MIG_FROST_AL1 costs 0 real_cost = 425.277 LOOPP_TS5-scwrl costs 0 real_cost = -5.71965 LOOPP_TS5 costs 0 real_cost = -2.68136 LOOPP_TS4-scwrl costs 0 real_cost = -12.9454 LOOPP_TS4 costs 0 real_cost = -12.4994 LOOPP_TS3-scwrl costs 0 real_cost = -13.7929 LOOPP_TS3 costs 0 real_cost = -13.8902 LOOPP_TS2-scwrl costs 0 real_cost = -6.24112 LOOPP_TS2 costs 0 real_cost = -16.3073 LOOPP_TS1-scwrl costs 0 real_cost = -12.2132 LOOPP_TS1 costs 0 real_cost = -10.6973 Huber-Torda-Server_TS5-scwrl costs 0 real_cost = 421.487 Huber-Torda-Server_TS5 costs 0 real_cost = 443.285 Huber-Torda-Server_TS4-scwrl costs 0 real_cost = 280.673 Huber-Torda-Server_TS4 costs 0 real_cost = 345.934 Huber-Torda-Server_TS3-scwrl costs 0 real_cost = 10.2439 Huber-Torda-Server_TS3 costs 0 real_cost = 107.584 Huber-Torda-Server_TS2-scwrl costs 0 real_cost = 159.869 Huber-Torda-Server_TS2 costs 0 real_cost = 225.945 Huber-Torda-Server_TS1-scwrl costs 0 real_cost = 29.9458 Huber-Torda-Server_TS1 costs 0 real_cost = 123.496 HHpred3_TS1-scwrl costs 0 real_cost = -60.2468 HHpred3_TS1 costs 0 real_cost = -56.3336 HHpred2_TS1-scwrl costs 0 real_cost = -49.4558 HHpred2_TS1 costs 0 real_cost = -53.687 HHpred1_TS1-scwrl costs 0 real_cost = -46.2366 HHpred1_TS1 costs 0 real_cost = -46.1436 GeneSilicoMetaServer_TS5-scwrl costs 0 real_cost = -18.8861 GeneSilicoMetaServer_TS5 costs 0 real_cost = -13.5701 GeneSilicoMetaServer_TS4-scwrl costs 0 real_cost = 32.5713 GeneSilicoMetaServer_TS4 costs 0 real_cost = 26.5328 GeneSilicoMetaServer_TS3-scwrl costs 0 real_cost = -73.4453 GeneSilicoMetaServer_TS3 costs 0 real_cost = -70.905 GeneSilicoMetaServer_TS2-scwrl costs 0 real_cost = -61.2183 GeneSilicoMetaServer_TS2 costs 0 real_cost = -60.7438 GeneSilicoMetaServer_TS1-scwrl costs 0 real_cost = -49.2515 GeneSilicoMetaServer_TS1 costs 0 real_cost = -55.101 FUNCTION_TS5-scwrl costs 0 real_cost = 10.2725 FUNCTION_TS5 costs 0 real_cost = 10.4267 FUNCTION_TS4-scwrl costs 0 real_cost = -9.37644 FUNCTION_TS4 costs 0 real_cost = -10.4739 FUNCTION_TS3-scwrl costs 0 real_cost = -26.2709 FUNCTION_TS3 costs 0 real_cost = -21.9424 FUNCTION_TS2-scwrl costs 0 real_cost = -47.6141 FUNCTION_TS2 costs 0 real_cost = -48.1701 FUNCTION_TS1-scwrl costs 0 real_cost = -59.0153 FUNCTION_TS1 costs 0 real_cost = -57.285 FUGUE_AL5-scwrl costs 0 real_cost = 61.0733 FUGUE_AL5 costs 0 real_cost = 186.093 FUGUE_AL4-scwrl costs 0 real_cost = 120.714 FUGUE_AL4 costs 0 real_cost = 234.122 FUGUE_AL3-scwrl costs 0 real_cost = -52.2518 FUGUE_AL3 costs 0 real_cost = 102.034 FUGUE_AL2-scwrl costs 0 real_cost = -47.6655 FUGUE_AL2 costs 0 real_cost = 110.219 FUGUE_AL1-scwrl costs 0 real_cost = -42.6071 FUGUE_AL1 costs 0 real_cost = 108.095 FUGMOD_TS5-scwrl costs 0 real_cost = 33.9643 FUGMOD_TS5 costs 0 real_cost = 40.0704 FUGMOD_TS4-scwrl costs 0 real_cost = 85.1504 FUGMOD_TS4 costs 0 real_cost = 81.678 FUGMOD_TS3-scwrl costs 0 real_cost = -61.3246 FUGMOD_TS3 costs 0 real_cost = -58.2479 FUGMOD_TS2-scwrl costs 0 real_cost = -69.8288 FUGMOD_TS2 costs 0 real_cost = -62.0398 FUGMOD_TS1-scwrl costs 0 real_cost = -62.1683 FUGMOD_TS1 costs 0 real_cost = -62.5128 FPSOLVER-SERVER_TS5-scwrl costs 0 real_cost = 271.189 FPSOLVER-SERVER_TS5 costs 0 real_cost = 284.355 FPSOLVER-SERVER_TS4-scwrl costs 0 real_cost = 259.16 FPSOLVER-SERVER_TS4 costs 0 real_cost = 272.223 FPSOLVER-SERVER_TS3-scwrl costs 0 real_cost = 292.909 FPSOLVER-SERVER_TS3 costs 0 real_cost = 301.119 FPSOLVER-SERVER_TS2-scwrl costs 0 real_cost = 277.192 FPSOLVER-SERVER_TS2 costs 0 real_cost = 281.62 FPSOLVER-SERVER_TS1-scwrl costs 0 real_cost = 268.481 FPSOLVER-SERVER_TS1 costs 0 real_cost = 277.526 FORTE2_AL5-scwrl costs 0 real_cost = 320.585 FORTE2_AL5 costs 0 real_cost = 453.209 FORTE2_AL4-scwrl costs 0 real_cost = 269.893 FORTE2_AL4 costs 0 real_cost = 394.577 FORTE2_AL3-scwrl costs 0 real_cost = 150.879 FORTE2_AL3 costs 0 real_cost = 271.976 FORTE2_AL2-scwrl costs 0 real_cost = 80.0142 FORTE2_AL2 costs 0 real_cost = 194.258 FORTE2_AL1-scwrl costs 0 real_cost = 80.0283 FORTE2_AL1 costs 0 real_cost = 197.96 FORTE1_AL5-scwrl costs 0 real_cost = 151.062 FORTE1_AL5 costs 0 real_cost = 272.163 FORTE1_AL4-scwrl costs 0 real_cost = 80.0142 FORTE1_AL4 costs 0 real_cost = 194.258 FORTE1_AL3-scwrl costs 0 real_cost = 76.9409 FORTE1_AL3 costs 0 real_cost = 200.265 FORTE1_AL2-scwrl costs 0 real_cost = 93.7401 FORTE1_AL2 costs 0 real_cost = 206.789 FORTE1_AL1-scwrl costs 0 real_cost = -7.9885 FORTE1_AL1 costs 0 real_cost = 140.527 FOLDpro_TS5-scwrl costs 0 real_cost = 36.6243 FOLDpro_TS5 costs 0 real_cost = 39.2105 FOLDpro_TS4-scwrl costs 0 real_cost = 58.0998 FOLDpro_TS4 costs 0 real_cost = 60.7218 FOLDpro_TS3-scwrl costs 0 real_cost = -67.6149 FOLDpro_TS3 costs 0 real_cost = -64.5917 FOLDpro_TS2-scwrl costs 0 real_cost = -4.67459 FOLDpro_TS2 costs 0 real_cost = -2.5957 FOLDpro_TS1-scwrl costs 0 real_cost = -26.8607 FOLDpro_TS1 costs 0 real_cost = -27.6628 FAMS_TS5-scwrl costs 0 real_cost = 17.0342 FAMS_TS5 costs 0 real_cost = 11.7026 FAMS_TS4-scwrl costs 0 real_cost = -52.2129 FAMS_TS4 costs 0 real_cost = -51.953 FAMS_TS3-scwrl costs 0 real_cost = 50.9946 FAMS_TS3 costs 0 real_cost = 50.8438 FAMS_TS2-scwrl costs 0 real_cost = -11.2729 FAMS_TS2 costs 0 real_cost = -8.58208 FAMS_TS1-scwrl costs 0 real_cost = -11.0614 FAMS_TS1 costs 0 real_cost = -8.80478 FAMSD_TS5-scwrl costs 0 real_cost = -67.9607 FAMSD_TS5 costs 0 real_cost = -66.5895 FAMSD_TS4-scwrl costs 0 real_cost = -65.8764 FAMSD_TS4 costs 0 real_cost = -63.6113 FAMSD_TS3-scwrl costs 0 real_cost = 30.8621 FAMSD_TS3 costs 0 real_cost = 28.4528 FAMSD_TS2-scwrl costs 0 real_cost = 27.0545 FAMSD_TS2 costs 0 real_cost = 27.6117 FAMSD_TS1-scwrl costs 0 real_cost = -54.6287 FAMSD_TS1 costs 0 real_cost = -46.784 Distill_TS5-scwrl costs 0 real_cost = 403.535 Distill_TS4-scwrl costs 0 real_cost = 413.035 Distill_TS3-scwrl costs 0 real_cost = 423.679 Distill_TS2-scwrl costs 0 real_cost = 423.963 Distill_TS1-scwrl costs 0 real_cost = 440.497 CaspIta-FOX_TS5-scwrl costs 0 real_cost = 40.6302 CaspIta-FOX_TS5 costs 0 real_cost = 37.8012 CaspIta-FOX_TS4-scwrl costs 0 real_cost = 102.136 CaspIta-FOX_TS4 costs 0 real_cost = 93.5022 CaspIta-FOX_TS3-scwrl costs 0 real_cost = 19.8323 CaspIta-FOX_TS3 costs 0 real_cost = 13.9978 CaspIta-FOX_TS2-scwrl costs 0 real_cost = -47.7972 CaspIta-FOX_TS2 costs 0 real_cost = -51.5645 CaspIta-FOX_TS1-scwrl costs 0 real_cost = -85.06 CaspIta-FOX_TS1 costs 0 real_cost = -85.9428 CPHmodels_TS1-scwrl costs 0 real_cost = 78.9539 CPHmodels_TS1 costs 0 real_cost = 74.7791 CIRCLE_TS5-scwrl costs 0 real_cost = 78.6699 CIRCLE_TS5 costs 0 real_cost = 75.5902 CIRCLE_TS4-scwrl costs 0 real_cost = 17.0342 CIRCLE_TS4 costs 0 real_cost = 11.7026 CIRCLE_TS3-scwrl costs 0 real_cost = 50.9946 CIRCLE_TS3 costs 0 real_cost = 50.8438 CIRCLE_TS2-scwrl costs 0 real_cost = 11.4283 CIRCLE_TS2 costs 0 real_cost = 9.55861 CIRCLE_TS1-scwrl costs 0 real_cost = -52.2129 CIRCLE_TS1 costs 0 real_cost = -51.953 Bilab-ENABLE_TS5-scwrl costs 0 real_cost = 281.371 Bilab-ENABLE_TS5 costs 0 real_cost = 281.371 Bilab-ENABLE_TS4-scwrl costs 0 real_cost = 281.415 Bilab-ENABLE_TS4 costs 0 real_cost = 281.415 Bilab-ENABLE_TS3-scwrl costs 0 real_cost = 274.715 Bilab-ENABLE_TS3 costs 0 real_cost = 274.907 Bilab-ENABLE_TS2-scwrl costs 0 real_cost = -60.8614 Bilab-ENABLE_TS2 costs 0 real_cost = -60.8614 Bilab-ENABLE_TS1-scwrl costs 0 real_cost = -68.7564 Bilab-ENABLE_TS1 costs 0 real_cost = -68.7564 BayesHH_TS1-scwrl costs 0 real_cost = -68.8039 BayesHH_TS1 costs 0 real_cost = -62.4992 ABIpro_TS5-scwrl costs 0 real_cost = 251.66 ABIpro_TS5 costs 0 real_cost = 252.031 ABIpro_TS4-scwrl costs 0 real_cost = 234.643 ABIpro_TS4 costs 0 real_cost = 234.337 ABIpro_TS3-scwrl costs 0 real_cost = 268.814 ABIpro_TS3 costs 0 real_cost = 268.927 ABIpro_TS2-scwrl costs 0 real_cost = 219.433 ABIpro_TS2 costs 0 real_cost = 219.423 ABIpro_TS1-scwrl costs 0 real_cost = 240.263 ABIpro_TS1 costs 0 real_cost = 240.263 3Dpro_TS5-scwrl costs 0 real_cost = 153.003 3Dpro_TS5 costs 0 real_cost = 154.693 3Dpro_TS4-scwrl costs 0 real_cost = 113.732 3Dpro_TS4 costs 0 real_cost = 112.276 3Dpro_TS3-scwrl costs 0 real_cost = 66.645 3Dpro_TS3 costs 0 real_cost = 68.5082 3Dpro_TS2-scwrl costs 0 real_cost = -16.4533 3Dpro_TS2 costs 0 real_cost = -18.1343 3Dpro_TS1-scwrl costs 0 real_cost = 25.4628 3Dpro_TS1 costs 0 real_cost = 32.3276 3D-JIGSAW_TS5-scwrl costs 0 real_cost = 89.0436 3D-JIGSAW_TS5 costs 0 real_cost = 88.6756 3D-JIGSAW_TS4-scwrl costs 0 real_cost = 90.2622 3D-JIGSAW_TS4 costs 0 real_cost = 96.4668 3D-JIGSAW_TS3-scwrl costs 0 real_cost = 117.897 3D-JIGSAW_TS3 costs 0 real_cost = 108.376 3D-JIGSAW_TS2-scwrl costs 0 real_cost = -18.199 3D-JIGSAW_TS2 costs 0 real_cost = -8.3986 3D-JIGSAW_TS1-scwrl costs 0 real_cost = 18.7798 3D-JIGSAW_TS1 costs 0 real_cost = 28.1888 3D-JIGSAW_RECOM_TS5-scwrl costs 0 real_cost = 32.2041 3D-JIGSAW_RECOM_TS5 costs 0 real_cost = 35.5055 3D-JIGSAW_RECOM_TS4-scwrl costs 0 real_cost = 14.4668 3D-JIGSAW_RECOM_TS4 costs 0 real_cost = 7.15724 3D-JIGSAW_RECOM_TS3-scwrl costs 0 real_cost = 30.0502 3D-JIGSAW_RECOM_TS3 costs 0 real_cost = 41.8786 3D-JIGSAW_RECOM_TS2-scwrl costs 0 real_cost = -29.2814 3D-JIGSAW_RECOM_TS2 costs 0 real_cost = -28.7159 3D-JIGSAW_RECOM_TS1-scwrl costs 0 real_cost = -27.0726 3D-JIGSAW_RECOM_TS1 costs 0 real_cost = -27.4204 3D-JIGSAW_POPULUS_TS5-scwrl costs 0 real_cost = -46.8412 3D-JIGSAW_POPULUS_TS5 costs 0 real_cost = -46.8412 3D-JIGSAW_POPULUS_TS4-scwrl costs 0 real_cost = -49.6291 3D-JIGSAW_POPULUS_TS4 costs 0 real_cost = -49.6291 3D-JIGSAW_POPULUS_TS3-scwrl costs 0 real_cost = -50.6298 3D-JIGSAW_POPULUS_TS3 costs 0 real_cost = -50.6298 3D-JIGSAW_POPULUS_TS2-scwrl costs 0 real_cost = -32.0222 3D-JIGSAW_POPULUS_TS2 costs 0 real_cost = -31.9826 3D-JIGSAW_POPULUS_TS1-scwrl costs 0 real_cost = -0.819101 3D-JIGSAW_POPULUS_TS1 costs 0 real_cost = -3.32949 T0297.try6-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -83.1888 T0297.try6-opt2.pdb.gz costs 0 real_cost = -85.0821 T0297.try6-opt2.gromacs0.pdb.gz costs 0 real_cost = -85.4301 T0297.try6-opt1.pdb.gz costs 0 real_cost = -84.7542 T0297.try6-opt1-scwrl.pdb.gz costs 0 real_cost = -84.4232 T0297.try5-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -110.903 T0297.try5-opt2.pdb.gz costs 0 real_cost = -111.844 T0297.try5-opt2.gromacs0.pdb.gz costs 0 real_cost = -111.055 T0297.try5-opt1.pdb.gz costs 0 real_cost = -111.73 T0297.try5-opt1-scwrl.pdb.gz costs 0 real_cost = -109.669 T0297.try4-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -81.6807 T0297.try4-opt2.pdb.gz costs 0 real_cost = -83.3458 T0297.try4-opt2.gromacs0.pdb.gz costs 0 real_cost = -82.9823 T0297.try4-opt1.pdb.gz costs 0 real_cost = -83.524 T0297.try4-opt1-scwrl.pdb.gz costs 0 real_cost = -83.7503 T0297.try3-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -82.7311 T0297.try3-opt2.pdb.gz costs 0 real_cost = -78.7292 T0297.try3-opt2.gromacs0.pdb.gz costs 0 real_cost = -78.4671 T0297.try3-opt1.pdb.gz costs 0 real_cost = -68.0277 T0297.try3-opt1-scwrl.pdb.gz costs 0 real_cost = -69.8413 T0297.try2-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -81.6621 T0297.try2-opt2.pdb.gz costs 0 real_cost = -79.5915 T0297.try2-opt2.gromacs0.pdb.gz costs 0 real_cost = -81.6883 T0297.try2-opt1.pdb.gz costs 0 real_cost = -75.6252 T0297.try2-opt1-scwrl.pdb.gz costs 0 real_cost = -74.988 T0297.try1-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -100.592 T0297.try1-opt2.pdb.gz costs 0 real_cost = -98.6565 T0297.try1-opt2.gromacs0.pdb.gz costs 0 real_cost = -96.6066 T0297.try1-opt1.pdb.gz costs 0 real_cost = -102.111 T0297.try1-opt1-scwrl.pdb.gz costs 0 real_cost = -101.314 ../model5.ts-submitted costs 0 real_cost = 45.5423 ../model4.ts-submitted costs 0 real_cost = 104.97 ../model3.ts-submitted costs 0 real_cost = 12.5194 ../model2.ts-submitted costs 0 real_cost = -111.865 ../model1.ts-submitted costs 0 real_cost = -84.964 align5 costs 0 real_cost = 66.4457 align4 costs 0 real_cost = 103.327 align3 costs 0 real_cost = 42.1923 align2 costs 0 real_cost = 104.917 align1 costs 0 real_cost = 1.08193 T0297.try1-opt2.pdb costs 0 real_cost = -98.661 model5-scwrl costs 0 real_cost = 82.1042 model5.ts-submitted costs 0 real_cost = 45.5423 model4-scwrl costs 0 real_cost = 124.323 model4.ts-submitted costs 0 real_cost = 104.97 model3-scwrl costs 0 real_cost = 102.846 model3.ts-submitted costs 0 real_cost = 12.5194 model2-scwrl costs 0 real_cost = -107.499 model2.ts-submitted costs 0 real_cost = -111.865 model1-scwrl costs 0 real_cost = -84.179 model1.ts-submitted costs 0 real_cost = -84.964 2hsjA costs 0 real_cost = -895 # command:CPU_time= 1152.81 sec, elapsed time= 1579.15 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