/projects/compbio/experiments/protein-predict/casp7/starter-directory/Make.main:725: SECONDARY_TARGET = T0322.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/T0322.} ;\ 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/T0322/ -e s/START_COL/1/ \ -e s/REAL_PDB/2hboA/ \ -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 1174865064 # 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= 5.80812 sec, elapsed time= 5.85281 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= 5.88711 sec, elapsed time= 5.94346 sec) # command:# Prefix for input files set to # command:# Making conformation for sequence T0322 numbered 1 through 157 Created new target T0322 from T0322.a2m # command:# command:# No conformations to remove in PopConform # command:# cleared Id set # command:# command:2hboA expands to /projects/compbio/data/pdb/2hbo.pdb.gz 2hboA:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 448, because occupancy 5.0000000e-01 <= existing 0.500 in 2hboA 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 452, because occupancy 0.500 <= existing 0.500 in 2hboA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 454, because occupancy 0.500 <= existing 0.500 in 2hboA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 456, because occupancy 0.250 <= existing 0.500 in 2hboA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 458, because occupancy 0.500 <= existing 0.500 in 2hboA Skipped atom 595, because occupancy 0.500 <= existing 0.500 in 2hboA Skipped atom 599, because occupancy 0.500 <= existing 0.500 in 2hboA Skipped atom 601, because occupancy 0.500 <= existing 0.500 in 2hboA Skipped atom 603, because occupancy 0.500 <= existing 0.500 in 2hboA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 911, because occupancy 0.500 <= existing 0.500 in 2hboA Skipped atom 915, because occupancy 0.500 <= existing 0.500 in 2hboA Skipped atom 917, because occupancy 0.500 <= existing 0.500 in 2hboA Skipped atom 919, because occupancy 0.500 <= existing 0.500 in 2hboA Skipped atom 921, because occupancy 0.500 <= existing 0.500 in 2hboA Skipped atom 923, because occupancy 0.500 <= existing 0.500 in 2hboA Skipped atom 925, because occupancy 0.500 <= existing 0.500 in 2hboA Skipped atom 927, because occupancy 0.500 <= existing 0.500 in 2hboA Read 142 residues and 1089 atoms. # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # command:# Saving current conformation as real # command:# Prefix for output files set to decoys/ # command:# SetRealCost created real_cost = # ( 50 * real_hbond + 50 * real_hbond_u + 50 * decoy_hbond + 50 * decoy_hbond_u + 10 * real_NO_hbond + 10 * real_NO_hbond_u + 10 * decoy_NO_hbond + 10 * decoy_NO_hbond_u + 10 * knot + 200 * clens + 0 * rmsd + 35 * log_rmsd + 0 * rmsd_ca + 30 * log_rmsd_ca + 1 * GDT + 1 * smooth_GDT + 0.2 * missing_atoms ) # command:# SetCost created cost = # ) # command:CPU_time= 8.10777 sec, elapsed time= 8.22001 sec) # command:# Prefix for input files set to # command:# ReadConformPDB reading from PDB file model1.ts-submitted looking for model 1 # choosing archetypes in rotamer library # Found a chain break before 139 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -64.2606 # GDT_score(maxd=8,maxw=2.9)= -67.1961 # GDT_score(maxd=8,maxw=3.2)= -63.7835 # GDT_score(maxd=8,maxw=3.5)= -60.5173 # GDT_score(maxd=10,maxw=3.8)= -63.0652 # GDT_score(maxd=10,maxw=4)= -61.0207 # GDT_score(maxd=10,maxw=4.2)= -59.0305 # GDT_score(maxd=12,maxw=4.3)= -62.4565 # GDT_score(maxd=12,maxw=4.5)= -60.5126 # GDT_score(maxd=12,maxw=4.7)= -58.6145 # GDT_score(maxd=14,maxw=5.2)= -57.6686 # GDT_score(maxd=14,maxw=5.5)= -54.9727 # command:# Prefix for output files set to # command:superimposing iter= 0 total_weight= 1657.000 rmsd (weighted)= 7.602 (unweighted)= 17.299 superimposing iter= 1 total_weight= 4699.825 rmsd (weighted)= 2.793 (unweighted)= 16.715 superimposing iter= 2 total_weight= 3078.069 rmsd (weighted)= 1.539 (unweighted)= 16.657 superimposing iter= 3 total_weight= 1635.869 rmsd (weighted)= 1.230 (unweighted)= 16.662 superimposing iter= 4 total_weight= 1256.574 rmsd (weighted)= 1.130 (unweighted)= 16.671 superimposing iter= 5 total_weight= 1188.517 rmsd (weighted)= 1.071 (unweighted)= 16.679 # command:# Prefix for output files set to decoys/ # command:# request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_347750774.pdb -s /var/tmp/to_scwrl_347750774.seq -o /var/tmp/from_scwrl_347750774.pdb > /var/tmp/scwrl_347750774.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_347750774.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 139 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -63.9085 # GDT_score(maxd=8,maxw=2.9)= -67.2064 # GDT_score(maxd=8,maxw=3.2)= -63.7726 # GDT_score(maxd=8,maxw=3.5)= -60.4543 # GDT_score(maxd=10,maxw=3.8)= -63.0104 # GDT_score(maxd=10,maxw=4)= -60.9437 # GDT_score(maxd=10,maxw=4.2)= -58.943 # GDT_score(maxd=12,maxw=4.3)= -62.3911 # GDT_score(maxd=12,maxw=4.5)= -60.4389 # GDT_score(maxd=12,maxw=4.7)= -58.539 # GDT_score(maxd=14,maxw=5.2)= -57.5963 # GDT_score(maxd=14,maxw=5.5)= -54.8878 # command:# request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_326517208.pdb -s /var/tmp/to_scwrl_326517208.seq -o /var/tmp/from_scwrl_326517208.pdb > /var/tmp/scwrl_326517208.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_326517208.pdb # conformation set from SCWRL output # command:# naming current conformation model2-scwrl # command:# ReadConformPDB reading from PDB file model3.ts-submitted looking for model 1 # Found a chain break before 146 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -62.8521 # GDT_score(maxd=8,maxw=2.9)= -65.9023 # GDT_score(maxd=8,maxw=3.2)= -62.6243 # GDT_score(maxd=8,maxw=3.5)= -59.4743 # GDT_score(maxd=10,maxw=3.8)= -62.0354 # GDT_score(maxd=10,maxw=4)= -60.0312 # GDT_score(maxd=10,maxw=4.2)= -58.0614 # GDT_score(maxd=12,maxw=4.3)= -61.4967 # GDT_score(maxd=12,maxw=4.5)= -59.5696 # GDT_score(maxd=12,maxw=4.7)= -57.7122 # GDT_score(maxd=14,maxw=5.2)= -56.8028 # GDT_score(maxd=14,maxw=5.5)= -54.171 # command:# request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_270898699.pdb -s /var/tmp/to_scwrl_270898699.seq -o /var/tmp/from_scwrl_270898699.pdb > /var/tmp/scwrl_270898699.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_270898699.pdb # conformation set from SCWRL output # command:# naming current conformation model3-scwrl # command:# ReadConformPDB reading from PDB file model4.ts-submitted looking for model 1 # Found a chain break before 139 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -64.0845 # GDT_score(maxd=8,maxw=2.9)= -67.2156 # GDT_score(maxd=8,maxw=3.2)= -63.8005 # GDT_score(maxd=8,maxw=3.5)= -60.4952 # GDT_score(maxd=10,maxw=3.8)= -63.0952 # GDT_score(maxd=10,maxw=4)= -61.0327 # GDT_score(maxd=10,maxw=4.2)= -59.0396 # GDT_score(maxd=12,maxw=4.3)= -62.4846 # GDT_score(maxd=12,maxw=4.5)= -60.5367 # GDT_score(maxd=12,maxw=4.7)= -58.6457 # GDT_score(maxd=14,maxw=5.2)= -57.6306 # GDT_score(maxd=14,maxw=5.5)= -54.977 # command:# request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1924408106.pdb -s /var/tmp/to_scwrl_1924408106.seq -o /var/tmp/from_scwrl_1924408106.pdb > /var/tmp/scwrl_1924408106.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1924408106.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 T0322 can't currently be optimized by undertaker # command:# fraction of real conformation used = 0.795775 # GDT_score = -62.1479 # GDT_score(maxd=8,maxw=2.9)= -64.8979 # GDT_score(maxd=8,maxw=3.2)= -62.5302 # GDT_score(maxd=8,maxw=3.5)= -59.9037 # GDT_score(maxd=10,maxw=3.8)= -61.5002 # GDT_score(maxd=10,maxw=4)= -59.7424 # GDT_score(maxd=10,maxw=4.2)= -57.8912 # GDT_score(maxd=12,maxw=4.3)= -60.5127 # GDT_score(maxd=12,maxw=4.5)= -58.7003 # GDT_score(maxd=12,maxw=4.7)= -56.8589 # GDT_score(maxd=14,maxw=5.2)= -55.3287 # GDT_score(maxd=14,maxw=5.5)= -52.7737 # command:# request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1046889966.pdb -s /var/tmp/to_scwrl_1046889966.seq -o /var/tmp/from_scwrl_1046889966.pdb > /var/tmp/scwrl_1046889966.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1046889966.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 T0322.try1-opt2.pdb looking for model 1 # Found a chain break before 139 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -63.9085 # GDT_score(maxd=8,maxw=2.9)= -67.2315 # GDT_score(maxd=8,maxw=3.2)= -63.8064 # GDT_score(maxd=8,maxw=3.5)= -60.5012 # GDT_score(maxd=10,maxw=3.8)= -63.1024 # GDT_score(maxd=10,maxw=4)= -61.0397 # GDT_score(maxd=10,maxw=4.2)= -59.0506 # GDT_score(maxd=12,maxw=4.3)= -62.4915 # GDT_score(maxd=12,maxw=4.5)= -60.5473 # GDT_score(maxd=12,maxw=4.7)= -58.6553 # GDT_score(maxd=14,maxw=5.2)= -57.6412 # GDT_score(maxd=14,maxw=5.5)= -54.9873 # command:# Prefix for output files set to # command:superimposing iter= 0 total_weight= 1657.000 rmsd (weighted)= 7.913 (unweighted)= 16.554 superimposing iter= 1 total_weight= 4888.906 rmsd (weighted)= 2.841 (unweighted)= 15.876 superimposing iter= 2 total_weight= 3194.192 rmsd (weighted)= 1.531 (unweighted)= 15.804 superimposing iter= 3 total_weight= 1701.077 rmsd (weighted)= 1.200 (unweighted)= 15.803 superimposing iter= 4 total_weight= 1276.138 rmsd (weighted)= 1.096 (unweighted)= 15.809 superimposing iter= 5 total_weight= 1181.477 rmsd (weighted)= 1.044 (unweighted)= 15.815 # command:# Prefix for output files set to decoys/ # command:# Prefix for input files set to # command:# ReadConformPDB reading from PDB file T0322.undertaker-align.pdb looking for model 1 WARNING: atoms too close: (T0322)M1.C and (T0322)D4.C only 0.000 apart, marking (T0322)D4.C as missing WARNING: atoms too close: (T0322)S2.N and (T0322)L5.N only 0.000 apart, marking (T0322)S2.N as missing WARNING: atoms too close: (T0322)S2.CA and (T0322)L5.CA only 0.000 apart, marking (T0322)S2.CA as missing WARNING: atoms too close: (T0322)A12.C and (T0322)P14.C only 0.000 apart, marking (T0322)P14.C as missing WARNING: atoms too close: (T0322)I13.N and (T0322)E15.N only 0.000 apart, marking (T0322)I13.N as missing WARNING: atoms too close: (T0322)I13.CA and (T0322)E15.CA only 0.000 apart, marking (T0322)I13.CA as missing WARNING: atoms too close: (T0322)N21.C and (T0322)P32.C only 0.000 apart, marking (T0322)P32.C as missing WARNING: atoms too close: (T0322)W22.N and (T0322)L33.N only 0.000 apart, marking (T0322)W22.N as missing WARNING: atoms too close: (T0322)W22.CA and (T0322)L33.CA only 0.000 apart, marking (T0322)W22.CA as missing WARNING: atoms too close: (T0322)K99.C and (T0322)L100.C only 0.000 apart, marking (T0322)L100.C as missing WARNING: atoms too close: (T0322)L100.N and (T0322)G101.N only 0.000 apart, marking (T0322)L100.N as missing WARNING: atoms too close: (T0322)L100.CA and (T0322)G101.CA only 0.000 apart, marking (T0322)L100.CA as missing # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # command:# naming current conformation align1 # command:# fraction of real conformation used = 0.809859 # GDT_score = -63.3803 # GDT_score(maxd=8,maxw=2.9)= -66.0781 # GDT_score(maxd=8,maxw=3.2)= -63.6602 # GDT_score(maxd=8,maxw=3.5)= -61.0097 # GDT_score(maxd=10,maxw=3.8)= -62.6312 # GDT_score(maxd=10,maxw=4)= -60.8252 # GDT_score(maxd=10,maxw=4.2)= -58.9323 # GDT_score(maxd=12,maxw=4.3)= -61.6083 # GDT_score(maxd=12,maxw=4.5)= -59.7555 # GDT_score(maxd=12,maxw=4.7)= -57.8711 # GDT_score(maxd=14,maxw=5.2)= -56.306 # GDT_score(maxd=14,maxw=5.5)= -53.6956 # command:# ReadConformPDB reading from PDB file T0322.undertaker-align.pdb looking for model 2 WARNING: atoms too close: (T0322)G31.C and (T0322)P32.C only 0.000 apart, marking (T0322)P32.C as missing WARNING: atoms too close: (T0322)P32.N and (T0322)L33.N only 0.000 apart, marking (T0322)P32.N as missing WARNING: atoms too close: (T0322)P32.CA and (T0322)L33.CA only 0.000 apart, marking (T0322)P32.CA as missing WARNING: atoms too close: (T0322)Q80.C and (T0322)S82.C only 0.000 apart, marking (T0322)S82.C as missing WARNING: atoms too close: (T0322)K81.N and (T0322)Y83.N only 0.000 apart, marking (T0322)K81.N as missing WARNING: atoms too close: (T0322)K81.CA and (T0322)Y83.CA only 0.000 apart, marking (T0322)K81.CA as missing # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # command:# naming current conformation align2 # command:# fraction of real conformation used = 0.816901 # GDT_score = -64.4366 # GDT_score(maxd=8,maxw=2.9)= -68.189 # GDT_score(maxd=8,maxw=3.2)= -65.3088 # GDT_score(maxd=8,maxw=3.5)= -62.248 # GDT_score(maxd=10,maxw=3.8)= -64.0568 # GDT_score(maxd=10,maxw=4)= -62.1712 # GDT_score(maxd=10,maxw=4.2)= -60.3027 # GDT_score(maxd=12,maxw=4.3)= -63.0388 # GDT_score(maxd=12,maxw=4.5)= -61.2321 # GDT_score(maxd=12,maxw=4.7)= -59.4179 # GDT_score(maxd=14,maxw=5.2)= -57.9605 # GDT_score(maxd=14,maxw=5.5)= -55.408 # command:# ReadConformPDB reading from PDB file T0322.undertaker-align.pdb looking for model 3 WARNING: atoms too close: (T0322)N21.C and (T0322)S23.C only 0.000 apart, marking (T0322)S23.C as missing WARNING: atoms too close: (T0322)W22.N and (T0322)R24.N only 0.000 apart, marking (T0322)W22.N as missing WARNING: atoms too close: (T0322)W22.CA and (T0322)R24.CA only 0.000 apart, marking (T0322)W22.CA as missing WARNING: atoms too close: (T0322)G31.C and (T0322)P32.C only 0.000 apart, marking (T0322)P32.C as missing WARNING: atoms too close: (T0322)P32.N and (T0322)L33.N only 0.000 apart, marking (T0322)P32.N as missing WARNING: atoms too close: (T0322)P32.CA and (T0322)L33.CA only 0.000 apart, marking (T0322)P32.CA as missing WARNING: atoms too close: (T0322)G101.C and (T0322)D102.C only 0.000 apart, marking (T0322)D102.C as missing WARNING: atoms too close: (T0322)D102.N and (T0322)W103.N only 0.000 apart, marking (T0322)D102.N as missing WARNING: atoms too close: (T0322)D102.CA and (T0322)W103.CA only 0.000 apart, marking (T0322)D102.CA as missing # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # command:# naming current conformation align3 # command:# ReadConformPDB reading from PDB file T0322.undertaker-align.pdb looking for model 4 # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # command:# naming current conformation align4 # command:# ReadConformPDB reading from PDB file T0322.undertaker-align.pdb looking for model 5 # WARNING: incomplete conformation T0322 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 139 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model2.ts-submitted looking for model 1 # Found a chain break before 139 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model3.ts-submitted looking for model 1 # Found a chain break before 146 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model4.ts-submitted looking for model 1 # Found a chain break before 139 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model5.ts-submitted looking for model 1 # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # ReadConformPDB reading from PDB file ../refine.model1.ts-submitted looking for model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../refine.model2.ts-submitted looking for model 1 # Found a chain break before 156 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../refine.model3.ts-submitted looking for model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../refine.model4.ts-submitted looking for model 1 # Found a chain break before 156 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../refine.model5.ts-submitted looking for model 1 # Found a chain break before 127 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0322.try1-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 127 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0322.try1-opt1.pdb.gz looking for model 1 # Found a chain break before 127 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0322.try1-opt2.pdb.gz looking for model 1 # Found a chain break before 139 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file tr322.gromacs0.pdb.gz looking for model 1 # Found a chain break before 155 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file tr322.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 155 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file tr322.pdb.gz looking for model 1 # Found a chain break before 155 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file tr322.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 155 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try1-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 138 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try1-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 138 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try1-opt2.gromacs0.pdb.gz looking for chain 'A' model 1 Faking rotamer for incomplete or colinear backbone at (T0322)A157 # Found a chain break before 156 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt2.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try1-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 146 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try1-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 146 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try1-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 146 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try10-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # naming current conformation dimer//try10-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try10-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # naming current conformation dimer//try10-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try10-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # naming current conformation dimer//try10-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try10-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # naming current conformation dimer//try10-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try10-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 156 # copying to AlignedFragments data structure # naming current conformation dimer//try10-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try10-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 156 # copying to AlignedFragments data structure # naming current conformation dimer//try10-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try10-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # naming current conformation dimer//try10-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try11-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # naming current conformation dimer//try11-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try11-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # naming current conformation dimer//try11-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try11-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # naming current conformation dimer//try11-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try11-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # naming current conformation dimer//try11-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try11-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 148 # copying to AlignedFragments data structure # naming current conformation dimer//try11-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try11-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 148 # copying to AlignedFragments data structure # naming current conformation dimer//try11-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try11-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # naming current conformation dimer//try11-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try12-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 148 # copying to AlignedFragments data structure # naming current conformation dimer//try12-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try12-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 148 # copying to AlignedFragments data structure # naming current conformation dimer//try12-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try12-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 148 # copying to AlignedFragments data structure # naming current conformation dimer//try12-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try12-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 148 # copying to AlignedFragments data structure # naming current conformation dimer//try12-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try12-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 156 # copying to AlignedFragments data structure # naming current conformation dimer//try12-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try12-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 156 # copying to AlignedFragments data structure # naming current conformation dimer//try12-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try12-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 148 # copying to AlignedFragments data structure # naming current conformation dimer//try12-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try13-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # naming current conformation dimer//try13-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try13-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # naming current conformation dimer//try13-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try13-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # naming current conformation dimer//try13-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try13-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # naming current conformation dimer//try13-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try13-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 156 # copying to AlignedFragments data structure # naming current conformation dimer//try13-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try13-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 156 # copying to AlignedFragments data structure # naming current conformation dimer//try13-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try13-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # naming current conformation dimer//try13-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try14-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # naming current conformation dimer//try14-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try14-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # naming current conformation dimer//try14-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try14-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # naming current conformation dimer//try14-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try14-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # naming current conformation dimer//try14-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try14-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # naming current conformation dimer//try14-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try14-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # naming current conformation dimer//try14-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try14-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # naming current conformation dimer//try14-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try2-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 139 # copying to AlignedFragments data structure # naming current conformation dimer//try2-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try2-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 139 # copying to AlignedFragments data structure # naming current conformation dimer//try2-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try2-opt2.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 156 # copying to AlignedFragments data structure # naming current conformation dimer//try2-opt2.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try2-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 139 # copying to AlignedFragments data structure # naming current conformation dimer//try2-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try2-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 139 # copying to AlignedFragments data structure # naming current conformation dimer//try2-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try2-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 139 # copying to AlignedFragments data structure # naming current conformation dimer//try2-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try3-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 139 # copying to AlignedFragments data structure # naming current conformation dimer//try3-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try3-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 139 # copying to AlignedFragments data structure # naming current conformation dimer//try3-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try3-opt2.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 156 # copying to AlignedFragments data structure # naming current conformation dimer//try3-opt2.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try3-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 139 # copying to AlignedFragments data structure # naming current conformation dimer//try3-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try3-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 139 # copying to AlignedFragments data structure # naming current conformation dimer//try3-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try3-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 139 # copying to AlignedFragments data structure # naming current conformation dimer//try3-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try4-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 155 # copying to AlignedFragments data structure # naming current conformation dimer//try4-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try4-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 155 # copying to AlignedFragments data structure # naming current conformation dimer//try4-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try4-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 155 # copying to AlignedFragments data structure # naming current conformation dimer//try4-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try4-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 155 # copying to AlignedFragments data structure # naming current conformation dimer//try4-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try4-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 156 # copying to AlignedFragments data structure # naming current conformation dimer//try4-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try4-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 156 # copying to AlignedFragments data structure # naming current conformation dimer//try4-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try4-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 155 # copying to AlignedFragments data structure # naming current conformation dimer//try4-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try5-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 131 # copying to AlignedFragments data structure # naming current conformation dimer//try5-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try5-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 131 # copying to AlignedFragments data structure # naming current conformation dimer//try5-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try5-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 148 # copying to AlignedFragments data structure # naming current conformation dimer//try5-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try5-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 148 # copying to AlignedFragments data structure # naming current conformation dimer//try5-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try5-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # naming current conformation dimer//try5-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try5-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # naming current conformation dimer//try5-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try5-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 148 # copying to AlignedFragments data structure # naming current conformation dimer//try5-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try6-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 148 # copying to AlignedFragments data structure # naming current conformation dimer//try6-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try6-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 148 # copying to AlignedFragments data structure # naming current conformation dimer//try6-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try6-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 148 # copying to AlignedFragments data structure # naming current conformation dimer//try6-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try6-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 148 # copying to AlignedFragments data structure # naming current conformation dimer//try6-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try6-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # naming current conformation dimer//try6-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try6-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # naming current conformation dimer//try6-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try6-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 148 # copying to AlignedFragments data structure # naming current conformation dimer//try6-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try7-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # naming current conformation dimer//try7-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try7-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # naming current conformation dimer//try7-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try7-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # naming current conformation dimer//try7-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try7-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # naming current conformation dimer//try7-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try7-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # naming current conformation dimer//try7-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try7-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # naming current conformation dimer//try7-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try7-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # naming current conformation dimer//try7-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try8-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 127 # copying to AlignedFragments data structure # naming current conformation dimer//try8-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try8-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 127 # copying to AlignedFragments data structure # naming current conformation dimer//try8-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try8-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 127 # copying to AlignedFragments data structure # naming current conformation dimer//try8-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try8-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 127 # copying to AlignedFragments data structure # naming current conformation dimer//try8-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try8-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 156 # copying to AlignedFragments data structure # naming current conformation dimer//try8-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try8-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 156 # copying to AlignedFragments data structure # naming current conformation dimer//try8-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try8-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 127 # copying to AlignedFragments data structure # naming current conformation dimer//try8-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try9-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 156 # copying to AlignedFragments data structure # naming current conformation dimer//try9-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try9-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 156 # copying to AlignedFragments data structure # naming current conformation dimer//try9-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try9-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 156 # copying to AlignedFragments data structure # naming current conformation dimer//try9-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try9-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 156 # copying to AlignedFragments data structure # naming current conformation dimer//try9-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try9-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 156 # copying to AlignedFragments data structure # naming current conformation dimer//try9-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try9-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 156 # copying to AlignedFragments data structure # naming current conformation dimer//try9-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try9-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 156 # copying to AlignedFragments data structure # naming current conformation dimer//try9-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/dimer-tr322-2fs2A.pdb.gz looking for chain 'A' model 1 # Found a chain break before 155 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-tr322-2fs2A # ReadConformPDB reading from PDB file ../dimer/decoys/dimer-try1-2fs2A.pdb.gz looking for chain 'A' model 1 # Found a chain break before 139 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-try1-2fs2A # ReadConformPDB reading from PDB file ../dimer/decoys/dimer-try1-2fs2A.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 139 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-try1-2fs2A.unpack # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1449078192.pdb -s /var/tmp/to_scwrl_1449078192.seq -o /var/tmp/from_scwrl_1449078192.pdb > /var/tmp/scwrl_1449078192.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1449078192.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_POPULUS_TS1-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1880896518.pdb -s /var/tmp/to_scwrl_1880896518.seq -o /var/tmp/from_scwrl_1880896518.pdb > /var/tmp/scwrl_1880896518.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1880896518.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_POPULUS_TS2-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1381305944.pdb -s /var/tmp/to_scwrl_1381305944.seq -o /var/tmp/from_scwrl_1381305944.pdb > /var/tmp/scwrl_1381305944.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1381305944.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_POPULUS_TS3-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1392029935.pdb -s /var/tmp/to_scwrl_1392029935.seq -o /var/tmp/from_scwrl_1392029935.pdb > /var/tmp/scwrl_1392029935.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1392029935.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_POPULUS_TS4-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_2103203362.pdb -s /var/tmp/to_scwrl_2103203362.seq -o /var/tmp/from_scwrl_2103203362.pdb > /var/tmp/scwrl_2103203362.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2103203362.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 T0322 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1555143237.pdb -s /var/tmp/to_scwrl_1555143237.seq -o /var/tmp/from_scwrl_1555143237.pdb > /var/tmp/scwrl_1555143237.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1555143237.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 T0322 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1105274408.pdb -s /var/tmp/to_scwrl_1105274408.seq -o /var/tmp/from_scwrl_1105274408.pdb > /var/tmp/scwrl_1105274408.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1105274408.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 T0322 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_615122362.pdb -s /var/tmp/to_scwrl_615122362.seq -o /var/tmp/from_scwrl_615122362.pdb > /var/tmp/scwrl_615122362.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_615122362.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 T0322 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1625694117.pdb -s /var/tmp/to_scwrl_1625694117.seq -o /var/tmp/from_scwrl_1625694117.pdb > /var/tmp/scwrl_1625694117.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1625694117.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 T0322 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1299797912.pdb -s /var/tmp/to_scwrl_1299797912.seq -o /var/tmp/from_scwrl_1299797912.pdb > /var/tmp/scwrl_1299797912.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1299797912.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 T0322 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_283430438.pdb -s /var/tmp/to_scwrl_283430438.seq -o /var/tmp/from_scwrl_283430438.pdb > /var/tmp/scwrl_283430438.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_283430438.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_TS1-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1991107627.pdb -s /var/tmp/to_scwrl_1991107627.seq -o /var/tmp/from_scwrl_1991107627.pdb > /var/tmp/scwrl_1991107627.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1991107627.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 T0322 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1874273697.pdb -s /var/tmp/to_scwrl_1874273697.seq -o /var/tmp/from_scwrl_1874273697.pdb > /var/tmp/scwrl_1874273697.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1874273697.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 T0322 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_415671725.pdb -s /var/tmp/to_scwrl_415671725.seq -o /var/tmp/from_scwrl_415671725.pdb > /var/tmp/scwrl_415671725.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_415671725.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 T0322 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_33794269.pdb -s /var/tmp/to_scwrl_33794269.seq -o /var/tmp/from_scwrl_33794269.pdb > /var/tmp/scwrl_33794269.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_33794269.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 131 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1719577301.pdb -s /var/tmp/to_scwrl_1719577301.seq -o /var/tmp/from_scwrl_1719577301.pdb > /var/tmp/scwrl_1719577301.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1719577301.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 149 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_570526789.pdb -s /var/tmp/to_scwrl_570526789.seq -o /var/tmp/from_scwrl_570526789.pdb > /var/tmp/scwrl_570526789.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_570526789.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 143 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1246264511.pdb -s /var/tmp/to_scwrl_1246264511.seq -o /var/tmp/from_scwrl_1246264511.pdb > /var/tmp/scwrl_1246264511.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1246264511.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 138 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1666797506.pdb -s /var/tmp/to_scwrl_1666797506.seq -o /var/tmp/from_scwrl_1666797506.pdb > /var/tmp/scwrl_1666797506.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1666797506.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 101 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_92860340.pdb -s /var/tmp/to_scwrl_92860340.seq -o /var/tmp/from_scwrl_92860340.pdb > /var/tmp/scwrl_92860340.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_92860340.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 152 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1784992789.pdb -s /var/tmp/to_scwrl_1784992789.seq -o /var/tmp/from_scwrl_1784992789.pdb > /var/tmp/scwrl_1784992789.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1784992789.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 145 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_940351818.pdb -s /var/tmp/to_scwrl_940351818.seq -o /var/tmp/from_scwrl_940351818.pdb > /var/tmp/scwrl_940351818.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_940351818.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 152 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_423979171.pdb -s /var/tmp/to_scwrl_423979171.seq -o /var/tmp/from_scwrl_423979171.pdb > /var/tmp/scwrl_423979171.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_423979171.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 152 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_213448781.pdb -s /var/tmp/to_scwrl_213448781.seq -o /var/tmp/from_scwrl_213448781.pdb > /var/tmp/scwrl_213448781.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_213448781.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 153 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1274926981.pdb -s /var/tmp/to_scwrl_1274926981.seq -o /var/tmp/from_scwrl_1274926981.pdb > /var/tmp/scwrl_1274926981.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1274926981.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 31 # copying to AlignedFragments data structure # naming current conformation BayesHH_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_760421330.pdb -s /var/tmp/to_scwrl_760421330.seq -o /var/tmp/from_scwrl_760421330.pdb > /var/tmp/scwrl_760421330.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_760421330.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 103 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_561199555.pdb -s /var/tmp/to_scwrl_561199555.seq -o /var/tmp/from_scwrl_561199555.pdb > /var/tmp/scwrl_561199555.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_561199555.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS1-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS1.pdb.gz looking for model 1 # Found a chain break before 156 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1601444189.pdb -s /var/tmp/to_scwrl_1601444189.seq -o /var/tmp/from_scwrl_1601444189.pdb > /var/tmp/scwrl_1601444189.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1601444189.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 T0322 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1031320029.pdb -s /var/tmp/to_scwrl_1031320029.seq -o /var/tmp/from_scwrl_1031320029.pdb > /var/tmp/scwrl_1031320029.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1031320029.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 T0322 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_338124014.pdb -s /var/tmp/to_scwrl_338124014.seq -o /var/tmp/from_scwrl_338124014.pdb > /var/tmp/scwrl_338124014.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_338124014.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 T0322 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_500850508.pdb -s /var/tmp/to_scwrl_500850508.seq -o /var/tmp/from_scwrl_500850508.pdb > /var/tmp/scwrl_500850508.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_500850508.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 T0322 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_332914574.pdb -s /var/tmp/to_scwrl_332914574.seq -o /var/tmp/from_scwrl_332914574.pdb > /var/tmp/scwrl_332914574.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_332914574.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 T0322 can't currently be optimized by undertaker # naming current conformation CPHmodels_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_71536885.pdb -s /var/tmp/to_scwrl_71536885.seq -o /var/tmp/from_scwrl_71536885.pdb > /var/tmp/scwrl_71536885.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_71536885.pdb # conformation set from SCWRL output # naming current conformation CPHmodels_TS1-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1882156453.pdb -s /var/tmp/to_scwrl_1882156453.seq -o /var/tmp/from_scwrl_1882156453.pdb > /var/tmp/scwrl_1882156453.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1882156453.pdb # conformation set from SCWRL output # naming current conformation CaspIta-FOX_TS1-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1724944510.pdb -s /var/tmp/to_scwrl_1724944510.seq -o /var/tmp/from_scwrl_1724944510.pdb > /var/tmp/scwrl_1724944510.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1724944510.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 T0322 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_27256601.pdb -s /var/tmp/to_scwrl_27256601.seq -o /var/tmp/from_scwrl_27256601.pdb > /var/tmp/scwrl_27256601.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_27256601.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 T0322 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1289816043.pdb -s /var/tmp/to_scwrl_1289816043.seq -o /var/tmp/from_scwrl_1289816043.pdb > /var/tmp/scwrl_1289816043.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1289816043.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 T0322 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_682735272.pdb -s /var/tmp/to_scwrl_682735272.seq -o /var/tmp/from_scwrl_682735272.pdb > /var/tmp/scwrl_682735272.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_682735272.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 T0322 can't currently be optimized by undertaker # naming current conformation Distill_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_642378963.pdb -s /var/tmp/to_scwrl_642378963.seq -o /var/tmp/from_scwrl_642378963.pdb > /var/tmp/scwrl_642378963.log Error: Couldn't open file /var/tmp/from_scwrl_642378963.pdb or /var/tmp/from_scwrl_642378963.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_642378963_b.pdb or decoys//var/tmp/from_scwrl_642378963_b.pdb.gz for input Trying /var/tmp/from_scwrl_642378963_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_642378963_b.pdb or /var/tmp/from_scwrl_642378963_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_642378963_a.pdb or decoys//var/tmp/from_scwrl_642378963_a.pdb.gz for input Trying /var/tmp/from_scwrl_642378963_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_642378963_a.pdb or /var/tmp/from_scwrl_642378963_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_642378963.pdb or /var/tmp/from_scwrl_642378963_b.pdb or /var/tmp/from_scwrl_642378963_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 T0322 can't currently be optimized by undertaker # naming current conformation Distill_TS2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_768026514.pdb -s /var/tmp/to_scwrl_768026514.seq -o /var/tmp/from_scwrl_768026514.pdb > /var/tmp/scwrl_768026514.log Error: Couldn't open file /var/tmp/from_scwrl_768026514.pdb or /var/tmp/from_scwrl_768026514.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_768026514_b.pdb or decoys//var/tmp/from_scwrl_768026514_b.pdb.gz for input Trying /var/tmp/from_scwrl_768026514_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_768026514_b.pdb or /var/tmp/from_scwrl_768026514_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_768026514_a.pdb or decoys//var/tmp/from_scwrl_768026514_a.pdb.gz for input Trying /var/tmp/from_scwrl_768026514_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_768026514_a.pdb or /var/tmp/from_scwrl_768026514_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_768026514.pdb or /var/tmp/from_scwrl_768026514_b.pdb or /var/tmp/from_scwrl_768026514_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 T0322 can't currently be optimized by undertaker # naming current conformation Distill_TS3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1982533184.pdb -s /var/tmp/to_scwrl_1982533184.seq -o /var/tmp/from_scwrl_1982533184.pdb > /var/tmp/scwrl_1982533184.log Error: Couldn't open file /var/tmp/from_scwrl_1982533184.pdb or /var/tmp/from_scwrl_1982533184.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1982533184_b.pdb or decoys//var/tmp/from_scwrl_1982533184_b.pdb.gz for input Trying /var/tmp/from_scwrl_1982533184_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1982533184_b.pdb or /var/tmp/from_scwrl_1982533184_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1982533184_a.pdb or decoys//var/tmp/from_scwrl_1982533184_a.pdb.gz for input Trying /var/tmp/from_scwrl_1982533184_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1982533184_a.pdb or /var/tmp/from_scwrl_1982533184_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1982533184.pdb or /var/tmp/from_scwrl_1982533184_b.pdb or /var/tmp/from_scwrl_1982533184_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 T0322 can't currently be optimized by undertaker # naming current conformation Distill_TS4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_925809402.pdb -s /var/tmp/to_scwrl_925809402.seq -o /var/tmp/from_scwrl_925809402.pdb > /var/tmp/scwrl_925809402.log Error: Couldn't open file /var/tmp/from_scwrl_925809402.pdb or /var/tmp/from_scwrl_925809402.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_925809402_b.pdb or decoys//var/tmp/from_scwrl_925809402_b.pdb.gz for input Trying /var/tmp/from_scwrl_925809402_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_925809402_b.pdb or /var/tmp/from_scwrl_925809402_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_925809402_a.pdb or decoys//var/tmp/from_scwrl_925809402_a.pdb.gz for input Trying /var/tmp/from_scwrl_925809402_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_925809402_a.pdb or /var/tmp/from_scwrl_925809402_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_925809402.pdb or /var/tmp/from_scwrl_925809402_b.pdb or /var/tmp/from_scwrl_925809402_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 T0322 can't currently be optimized by undertaker # naming current conformation Distill_TS5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_611650495.pdb -s /var/tmp/to_scwrl_611650495.seq -o /var/tmp/from_scwrl_611650495.pdb > /var/tmp/scwrl_611650495.log Error: Couldn't open file /var/tmp/from_scwrl_611650495.pdb or /var/tmp/from_scwrl_611650495.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_611650495_b.pdb or decoys//var/tmp/from_scwrl_611650495_b.pdb.gz for input Trying /var/tmp/from_scwrl_611650495_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_611650495_b.pdb or /var/tmp/from_scwrl_611650495_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_611650495_a.pdb or decoys//var/tmp/from_scwrl_611650495_a.pdb.gz for input Trying /var/tmp/from_scwrl_611650495_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_611650495_a.pdb or /var/tmp/from_scwrl_611650495_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_611650495.pdb or /var/tmp/from_scwrl_611650495_b.pdb or /var/tmp/from_scwrl_611650495_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 153 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1709323234.pdb -s /var/tmp/to_scwrl_1709323234.seq -o /var/tmp/from_scwrl_1709323234.pdb > /var/tmp/scwrl_1709323234.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1709323234.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 T0322 can't currently be optimized by undertaker # naming current conformation FAMSD_TS2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1341481126.pdb -s /var/tmp/to_scwrl_1341481126.seq -o /var/tmp/from_scwrl_1341481126.pdb > /var/tmp/scwrl_1341481126.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1341481126.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 T0322 can't currently be optimized by undertaker # naming current conformation FAMSD_TS3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_645444764.pdb -s /var/tmp/to_scwrl_645444764.seq -o /var/tmp/from_scwrl_645444764.pdb > /var/tmp/scwrl_645444764.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_645444764.pdb # conformation set from SCWRL output # naming current conformation FAMSD_TS3-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # naming current conformation FAMSD_TS4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1281416888.pdb -s /var/tmp/to_scwrl_1281416888.seq -o /var/tmp/from_scwrl_1281416888.pdb > /var/tmp/scwrl_1281416888.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1281416888.pdb # conformation set from SCWRL output # naming current conformation FAMSD_TS4-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # naming current conformation FAMSD_TS5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1912007915.pdb -s /var/tmp/to_scwrl_1912007915.seq -o /var/tmp/from_scwrl_1912007915.pdb > /var/tmp/scwrl_1912007915.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1912007915.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 155 # copying to AlignedFragments data structure # naming current conformation FAMS_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1891709275.pdb -s /var/tmp/to_scwrl_1891709275.seq -o /var/tmp/from_scwrl_1891709275.pdb > /var/tmp/scwrl_1891709275.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1891709275.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 T0322 can't currently be optimized by undertaker # naming current conformation FAMS_TS2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_800730748.pdb -s /var/tmp/to_scwrl_800730748.seq -o /var/tmp/from_scwrl_800730748.pdb > /var/tmp/scwrl_800730748.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_800730748.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 T0322 can't currently be optimized by undertaker # naming current conformation FAMS_TS3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_2004868256.pdb -s /var/tmp/to_scwrl_2004868256.seq -o /var/tmp/from_scwrl_2004868256.pdb > /var/tmp/scwrl_2004868256.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2004868256.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS3-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # naming current conformation FAMS_TS4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1529218417.pdb -s /var/tmp/to_scwrl_1529218417.seq -o /var/tmp/from_scwrl_1529218417.pdb > /var/tmp/scwrl_1529218417.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1529218417.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 T0322 can't currently be optimized by undertaker # naming current conformation FAMS_TS5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1741082566.pdb -s /var/tmp/to_scwrl_1741082566.seq -o /var/tmp/from_scwrl_1741082566.pdb > /var/tmp/scwrl_1741082566.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1741082566.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 131 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_281363780.pdb -s /var/tmp/to_scwrl_281363780.seq -o /var/tmp/from_scwrl_281363780.pdb > /var/tmp/scwrl_281363780.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_281363780.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 142 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1742667198.pdb -s /var/tmp/to_scwrl_1742667198.seq -o /var/tmp/from_scwrl_1742667198.pdb > /var/tmp/scwrl_1742667198.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1742667198.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 151 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_868525901.pdb -s /var/tmp/to_scwrl_868525901.seq -o /var/tmp/from_scwrl_868525901.pdb > /var/tmp/scwrl_868525901.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_868525901.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 151 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1041785110.pdb -s /var/tmp/to_scwrl_1041785110.seq -o /var/tmp/from_scwrl_1041785110.pdb > /var/tmp/scwrl_1041785110.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1041785110.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 146 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_156383107.pdb -s /var/tmp/to_scwrl_156383107.seq -o /var/tmp/from_scwrl_156383107.pdb > /var/tmp/scwrl_156383107.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_156383107.pdb # conformation set from SCWRL output # naming current conformation FOLDpro_TS5-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL1.pdb.gz looking for model 1 Skipped atom 79, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 96, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 337, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 346, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 391, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 404, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # naming current conformation FORTE1_AL1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_322486444.pdb -s /var/tmp/to_scwrl_322486444.seq -o /var/tmp/from_scwrl_322486444.pdb > /var/tmp/scwrl_322486444.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_322486444.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 Skipped atom 103, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # naming current conformation FORTE1_AL2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_2073105138.pdb -s /var/tmp/to_scwrl_2073105138.seq -o /var/tmp/from_scwrl_2073105138.pdb > /var/tmp/scwrl_2073105138.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2073105138.pdb # conformation set from SCWRL output # naming current conformation FORTE1_AL2-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # naming current conformation FORTE1_AL3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_494507121.pdb -s /var/tmp/to_scwrl_494507121.seq -o /var/tmp/from_scwrl_494507121.pdb > /var/tmp/scwrl_494507121.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_494507121.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 T0322 can't currently be optimized by undertaker # naming current conformation FORTE1_AL4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_823336952.pdb -s /var/tmp/to_scwrl_823336952.seq -o /var/tmp/from_scwrl_823336952.pdb > /var/tmp/scwrl_823336952.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_823336952.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 T0322 can't currently be optimized by undertaker # naming current conformation FORTE1_AL5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_258536065.pdb -s /var/tmp/to_scwrl_258536065.seq -o /var/tmp/from_scwrl_258536065.pdb > /var/tmp/scwrl_258536065.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_258536065.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 79, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 96, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 337, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 346, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 391, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 404, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # naming current conformation FORTE2_AL1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_566044007.pdb -s /var/tmp/to_scwrl_566044007.seq -o /var/tmp/from_scwrl_566044007.pdb > /var/tmp/scwrl_566044007.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_566044007.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 Skipped atom 103, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # naming current conformation FORTE2_AL2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_558009758.pdb -s /var/tmp/to_scwrl_558009758.seq -o /var/tmp/from_scwrl_558009758.pdb > /var/tmp/scwrl_558009758.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_558009758.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 T0322 can't currently be optimized by undertaker # naming current conformation FORTE2_AL3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1983480575.pdb -s /var/tmp/to_scwrl_1983480575.seq -o /var/tmp/from_scwrl_1983480575.pdb > /var/tmp/scwrl_1983480575.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1983480575.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 T0322 can't currently be optimized by undertaker # naming current conformation FORTE2_AL4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_593300608.pdb -s /var/tmp/to_scwrl_593300608.seq -o /var/tmp/from_scwrl_593300608.pdb > /var/tmp/scwrl_593300608.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_593300608.pdb # conformation set from SCWRL output # naming current conformation FORTE2_AL4-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # naming current conformation FORTE2_AL5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1847825802.pdb -s /var/tmp/to_scwrl_1847825802.seq -o /var/tmp/from_scwrl_1847825802.pdb > /var/tmp/scwrl_1847825802.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1847825802.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 156 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_518732201.pdb -s /var/tmp/to_scwrl_518732201.seq -o /var/tmp/from_scwrl_518732201.pdb > /var/tmp/scwrl_518732201.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_518732201.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 138 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1235679570.pdb -s /var/tmp/to_scwrl_1235679570.seq -o /var/tmp/from_scwrl_1235679570.pdb > /var/tmp/scwrl_1235679570.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1235679570.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 153 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_468368669.pdb -s /var/tmp/to_scwrl_468368669.seq -o /var/tmp/from_scwrl_468368669.pdb > /var/tmp/scwrl_468368669.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_468368669.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 151 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_353781738.pdb -s /var/tmp/to_scwrl_353781738.seq -o /var/tmp/from_scwrl_353781738.pdb > /var/tmp/scwrl_353781738.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_353781738.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 156 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_14005325.pdb -s /var/tmp/to_scwrl_14005325.seq -o /var/tmp/from_scwrl_14005325.pdb > /var/tmp/scwrl_14005325.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_14005325.pdb # conformation set from SCWRL output # naming current conformation FPSOLVER-SERVER_TS5-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1080019163.pdb -s /var/tmp/to_scwrl_1080019163.seq -o /var/tmp/from_scwrl_1080019163.pdb > /var/tmp/scwrl_1080019163.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1080019163.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS1-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_2063104973.pdb -s /var/tmp/to_scwrl_2063104973.seq -o /var/tmp/from_scwrl_2063104973.pdb > /var/tmp/scwrl_2063104973.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2063104973.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS2-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1355486452.pdb -s /var/tmp/to_scwrl_1355486452.seq -o /var/tmp/from_scwrl_1355486452.pdb > /var/tmp/scwrl_1355486452.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1355486452.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 T0322 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1725463927.pdb -s /var/tmp/to_scwrl_1725463927.seq -o /var/tmp/from_scwrl_1725463927.pdb > /var/tmp/scwrl_1725463927.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1725463927.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 T0322 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1197038214.pdb -s /var/tmp/to_scwrl_1197038214.seq -o /var/tmp/from_scwrl_1197038214.pdb > /var/tmp/scwrl_1197038214.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1197038214.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 T0322 can't currently be optimized by undertaker # naming current conformation FUGUE_AL1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1120010720.pdb -s /var/tmp/to_scwrl_1120010720.seq -o /var/tmp/from_scwrl_1120010720.pdb > /var/tmp/scwrl_1120010720.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1120010720.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 T0322 can't currently be optimized by undertaker # naming current conformation FUGUE_AL2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1469689556.pdb -s /var/tmp/to_scwrl_1469689556.seq -o /var/tmp/from_scwrl_1469689556.pdb > /var/tmp/scwrl_1469689556.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1469689556.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 T0322 can't currently be optimized by undertaker # naming current conformation FUGUE_AL3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1997768963.pdb -s /var/tmp/to_scwrl_1997768963.seq -o /var/tmp/from_scwrl_1997768963.pdb > /var/tmp/scwrl_1997768963.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1997768963.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 T0322 can't currently be optimized by undertaker # naming current conformation FUGUE_AL4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_977395330.pdb -s /var/tmp/to_scwrl_977395330.seq -o /var/tmp/from_scwrl_977395330.pdb > /var/tmp/scwrl_977395330.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_977395330.pdb # conformation set from SCWRL output # naming current conformation FUGUE_AL4-scwrl # ReadConformPDB reading from PDB file servers/FUGUE_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # naming current conformation FUGUE_AL5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_851424327.pdb -s /var/tmp/to_scwrl_851424327.seq -o /var/tmp/from_scwrl_851424327.pdb > /var/tmp/scwrl_851424327.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_851424327.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 155 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1591367882.pdb -s /var/tmp/to_scwrl_1591367882.seq -o /var/tmp/from_scwrl_1591367882.pdb > /var/tmp/scwrl_1591367882.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1591367882.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 156 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1258759109.pdb -s /var/tmp/to_scwrl_1258759109.seq -o /var/tmp/from_scwrl_1258759109.pdb > /var/tmp/scwrl_1258759109.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1258759109.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 154 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_446607879.pdb -s /var/tmp/to_scwrl_446607879.seq -o /var/tmp/from_scwrl_446607879.pdb > /var/tmp/scwrl_446607879.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_446607879.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 156 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_312410136.pdb -s /var/tmp/to_scwrl_312410136.seq -o /var/tmp/from_scwrl_312410136.pdb > /var/tmp/scwrl_312410136.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_312410136.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 148 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_153060572.pdb -s /var/tmp/to_scwrl_153060572.seq -o /var/tmp/from_scwrl_153060572.pdb > /var/tmp/scwrl_153060572.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_153060572.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS5-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_602990986.pdb -s /var/tmp/to_scwrl_602990986.seq -o /var/tmp/from_scwrl_602990986.pdb > /var/tmp/scwrl_602990986.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_602990986.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 # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_634896580.pdb -s /var/tmp/to_scwrl_634896580.seq -o /var/tmp/from_scwrl_634896580.pdb > /var/tmp/scwrl_634896580.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_634896580.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 # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_78682063.pdb -s /var/tmp/to_scwrl_78682063.seq -o /var/tmp/from_scwrl_78682063.pdb > /var/tmp/scwrl_78682063.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_78682063.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 T0322 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1097498106.pdb -s /var/tmp/to_scwrl_1097498106.seq -o /var/tmp/from_scwrl_1097498106.pdb > /var/tmp/scwrl_1097498106.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1097498106.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 T0322 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1458233532.pdb -s /var/tmp/to_scwrl_1458233532.seq -o /var/tmp/from_scwrl_1458233532.pdb > /var/tmp/scwrl_1458233532.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1458233532.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 104 # copying to AlignedFragments data structure # naming current conformation HHpred1_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_337218129.pdb -s /var/tmp/to_scwrl_337218129.seq -o /var/tmp/from_scwrl_337218129.pdb > /var/tmp/scwrl_337218129.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_337218129.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 103 # copying to AlignedFragments data structure # naming current conformation HHpred2_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1663542113.pdb -s /var/tmp/to_scwrl_1663542113.seq -o /var/tmp/from_scwrl_1663542113.pdb > /var/tmp/scwrl_1663542113.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1663542113.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 103 # copying to AlignedFragments data structure # naming current conformation HHpred3_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_2016243290.pdb -s /var/tmp/to_scwrl_2016243290.seq -o /var/tmp/from_scwrl_2016243290.pdb > /var/tmp/scwrl_2016243290.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2016243290.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 T0322 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_173215057.pdb -s /var/tmp/to_scwrl_173215057.seq -o /var/tmp/from_scwrl_173215057.pdb > /var/tmp/scwrl_173215057.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_173215057.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 T0322 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_109359074.pdb -s /var/tmp/to_scwrl_109359074.seq -o /var/tmp/from_scwrl_109359074.pdb > /var/tmp/scwrl_109359074.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_109359074.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 T0322 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1716585445.pdb -s /var/tmp/to_scwrl_1716585445.seq -o /var/tmp/from_scwrl_1716585445.pdb > /var/tmp/scwrl_1716585445.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1716585445.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 T0322 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_691947258.pdb -s /var/tmp/to_scwrl_691947258.seq -o /var/tmp/from_scwrl_691947258.pdb > /var/tmp/scwrl_691947258.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_691947258.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 T0322 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1345038645.pdb -s /var/tmp/to_scwrl_1345038645.seq -o /var/tmp/from_scwrl_1345038645.pdb > /var/tmp/scwrl_1345038645.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1345038645.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 T0322 can't currently be optimized by undertaker # naming current conformation LOOPP_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_37470468.pdb -s /var/tmp/to_scwrl_37470468.seq -o /var/tmp/from_scwrl_37470468.pdb > /var/tmp/scwrl_37470468.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_37470468.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 T0322 can't currently be optimized by undertaker # naming current conformation LOOPP_TS2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1045728997.pdb -s /var/tmp/to_scwrl_1045728997.seq -o /var/tmp/from_scwrl_1045728997.pdb > /var/tmp/scwrl_1045728997.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1045728997.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 T0322 can't currently be optimized by undertaker # naming current conformation LOOPP_TS3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1359043970.pdb -s /var/tmp/to_scwrl_1359043970.seq -o /var/tmp/from_scwrl_1359043970.pdb > /var/tmp/scwrl_1359043970.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1359043970.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 T0322 can't currently be optimized by undertaker # naming current conformation LOOPP_TS4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1117489631.pdb -s /var/tmp/to_scwrl_1117489631.seq -o /var/tmp/from_scwrl_1117489631.pdb > /var/tmp/scwrl_1117489631.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1117489631.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 T0322 can't currently be optimized by undertaker # naming current conformation LOOPP_TS5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_961350323.pdb -s /var/tmp/to_scwrl_961350323.seq -o /var/tmp/from_scwrl_961350323.pdb > /var/tmp/scwrl_961350323.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_961350323.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 T0322 can't currently be optimized by undertaker # naming current conformation MIG_FROST_AL1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_567046776.pdb -s /var/tmp/to_scwrl_567046776.seq -o /var/tmp/from_scwrl_567046776.pdb > /var/tmp/scwrl_567046776.log sh: line 1: 20655 Killed scwrl3 -i /var/tmp/to_scwrl_567046776.pdb -s /var/tmp/to_scwrl_567046776.seq -o /var/tmp/from_scwrl_567046776.pdb >/var/tmp/scwrl_567046776.log Error: Couldn't open file /var/tmp/from_scwrl_567046776.pdb or /var/tmp/from_scwrl_567046776.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_567046776_b.pdb or decoys//var/tmp/from_scwrl_567046776_b.pdb.gz for input Trying /var/tmp/from_scwrl_567046776_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_567046776_b.pdb or /var/tmp/from_scwrl_567046776_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_567046776_a.pdb or decoys//var/tmp/from_scwrl_567046776_a.pdb.gz for input Trying /var/tmp/from_scwrl_567046776_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_567046776_a.pdb or /var/tmp/from_scwrl_567046776_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_567046776.pdb or /var/tmp/from_scwrl_567046776_b.pdb or /var/tmp/from_scwrl_567046776_a.pdb Error: no new SCWRL conformation added # naming current conformation MIG_FROST_AL1-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS1.pdb.gz looking for model 1 # Found a chain break before 140 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_695469913.pdb -s /var/tmp/to_scwrl_695469913.seq -o /var/tmp/from_scwrl_695469913.pdb > /var/tmp/scwrl_695469913.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_695469913.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server2_TS1-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS2.pdb.gz looking for model 1 # Found a chain break before 76 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_10904890.pdb -s /var/tmp/to_scwrl_10904890.seq -o /var/tmp/from_scwrl_10904890.pdb > /var/tmp/scwrl_10904890.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_10904890.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server2_TS2-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS3.pdb.gz looking for model 1 # Found a chain break before 137 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1687057497.pdb -s /var/tmp/to_scwrl_1687057497.seq -o /var/tmp/from_scwrl_1687057497.pdb > /var/tmp/scwrl_1687057497.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1687057497.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server2_TS3-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS4.pdb.gz looking for model 1 # Found a chain break before 110 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_17675822.pdb -s /var/tmp/to_scwrl_17675822.seq -o /var/tmp/from_scwrl_17675822.pdb > /var/tmp/scwrl_17675822.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_17675822.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server2_TS4-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS5.pdb.gz looking for model 1 # Found a chain break before 143 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_2008673853.pdb -s /var/tmp/to_scwrl_2008673853.seq -o /var/tmp/from_scwrl_2008673853.pdb > /var/tmp/scwrl_2008673853.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2008673853.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server2_TS5-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS1.pdb.gz looking for model 1 # Found a chain break before 81 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_516969180.pdb -s /var/tmp/to_scwrl_516969180.seq -o /var/tmp/from_scwrl_516969180.pdb > /var/tmp/scwrl_516969180.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_516969180.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 153 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_869100149.pdb -s /var/tmp/to_scwrl_869100149.seq -o /var/tmp/from_scwrl_869100149.pdb > /var/tmp/scwrl_869100149.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_869100149.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 138 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1452558088.pdb -s /var/tmp/to_scwrl_1452558088.seq -o /var/tmp/from_scwrl_1452558088.pdb > /var/tmp/scwrl_1452558088.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1452558088.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 143 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1775728290.pdb -s /var/tmp/to_scwrl_1775728290.seq -o /var/tmp/from_scwrl_1775728290.pdb > /var/tmp/scwrl_1775728290.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1775728290.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 76 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1315708027.pdb -s /var/tmp/to_scwrl_1315708027.seq -o /var/tmp/from_scwrl_1315708027.pdb > /var/tmp/scwrl_1315708027.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1315708027.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 156 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1764968225.pdb -s /var/tmp/to_scwrl_1764968225.seq -o /var/tmp/from_scwrl_1764968225.pdb > /var/tmp/scwrl_1764968225.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1764968225.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 156 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1928788862.pdb -s /var/tmp/to_scwrl_1928788862.seq -o /var/tmp/from_scwrl_1928788862.pdb > /var/tmp/scwrl_1928788862.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1928788862.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 156 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1918699013.pdb -s /var/tmp/to_scwrl_1918699013.seq -o /var/tmp/from_scwrl_1918699013.pdb > /var/tmp/scwrl_1918699013.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1918699013.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 156 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_252381158.pdb -s /var/tmp/to_scwrl_252381158.seq -o /var/tmp/from_scwrl_252381158.pdb > /var/tmp/scwrl_252381158.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_252381158.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 154 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_2007470926.pdb -s /var/tmp/to_scwrl_2007470926.seq -o /var/tmp/from_scwrl_2007470926.pdb > /var/tmp/scwrl_2007470926.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2007470926.pdb # conformation set from SCWRL output # naming current conformation MetaTasser_TS5-scwrl # ReadConformPDB reading from PDB file servers/NN_PUT_lab_TS1.pdb.gz looking for model 1 # Found a chain break before 127 # copying to AlignedFragments data structure # naming current conformation NN_PUT_lab_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_868713474.pdb -s /var/tmp/to_scwrl_868713474.seq -o /var/tmp/from_scwrl_868713474.pdb > /var/tmp/scwrl_868713474.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_868713474.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 142 ; scwrl3 -i /var/tmp/to_scwrl_1710614690.pdb -s /var/tmp/to_scwrl_1710614690.seq -o /var/tmp/from_scwrl_1710614690.pdb > /var/tmp/scwrl_1710614690.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1710614690.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 142 ; scwrl3 -i /var/tmp/to_scwrl_197205408.pdb -s /var/tmp/to_scwrl_197205408.seq -o /var/tmp/from_scwrl_197205408.pdb > /var/tmp/scwrl_197205408.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_197205408.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 142 ; scwrl3 -i /var/tmp/to_scwrl_384771940.pdb -s /var/tmp/to_scwrl_384771940.seq -o /var/tmp/from_scwrl_384771940.pdb > /var/tmp/scwrl_384771940.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_384771940.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 142 ; scwrl3 -i /var/tmp/to_scwrl_1579374334.pdb -s /var/tmp/to_scwrl_1579374334.seq -o /var/tmp/from_scwrl_1579374334.pdb > /var/tmp/scwrl_1579374334.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1579374334.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 142 ; scwrl3 -i /var/tmp/to_scwrl_370420465.pdb -s /var/tmp/to_scwrl_370420465.seq -o /var/tmp/from_scwrl_370420465.pdb > /var/tmp/scwrl_370420465.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_370420465.pdb # conformation set from SCWRL output # naming current conformation PROTINFO-AB_TS5-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS1.pdb.gz looking for model 1 # Found a chain break before 79 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_494131015.pdb -s /var/tmp/to_scwrl_494131015.seq -o /var/tmp/from_scwrl_494131015.pdb > /var/tmp/scwrl_494131015.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_494131015.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS1-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # naming current conformation PROTINFO_TS2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1148476132.pdb -s /var/tmp/to_scwrl_1148476132.seq -o /var/tmp/from_scwrl_1148476132.pdb > /var/tmp/scwrl_1148476132.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1148476132.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS2-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # naming current conformation PROTINFO_TS3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1062367724.pdb -s /var/tmp/to_scwrl_1062367724.seq -o /var/tmp/from_scwrl_1062367724.pdb > /var/tmp/scwrl_1062367724.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1062367724.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 # Found a chain break before 79 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1839169660.pdb -s /var/tmp/to_scwrl_1839169660.seq -o /var/tmp/from_scwrl_1839169660.pdb > /var/tmp/scwrl_1839169660.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1839169660.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS4-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # naming current conformation PROTINFO_TS5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1185946600.pdb -s /var/tmp/to_scwrl_1185946600.seq -o /var/tmp/from_scwrl_1185946600.pdb > /var/tmp/scwrl_1185946600.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1185946600.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 T0322 can't currently be optimized by undertaker # naming current conformation Pcons6_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_2108096720.pdb -s /var/tmp/to_scwrl_2108096720.seq -o /var/tmp/from_scwrl_2108096720.pdb > /var/tmp/scwrl_2108096720.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2108096720.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 T0322 can't currently be optimized by undertaker # naming current conformation Pcons6_TS2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1050729984.pdb -s /var/tmp/to_scwrl_1050729984.seq -o /var/tmp/from_scwrl_1050729984.pdb > /var/tmp/scwrl_1050729984.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1050729984.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 T0322 can't currently be optimized by undertaker # naming current conformation Pcons6_TS3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_155952586.pdb -s /var/tmp/to_scwrl_155952586.seq -o /var/tmp/from_scwrl_155952586.pdb > /var/tmp/scwrl_155952586.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_155952586.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 T0322 can't currently be optimized by undertaker # naming current conformation Pcons6_TS4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_921963396.pdb -s /var/tmp/to_scwrl_921963396.seq -o /var/tmp/from_scwrl_921963396.pdb > /var/tmp/scwrl_921963396.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_921963396.pdb # conformation set from SCWRL output # naming current conformation Pcons6_TS4-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # naming current conformation Pcons6_TS5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1617776760.pdb -s /var/tmp/to_scwrl_1617776760.seq -o /var/tmp/from_scwrl_1617776760.pdb > /var/tmp/scwrl_1617776760.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1617776760.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 T0322 can't currently be optimized by undertaker # naming current conformation Phyre-1_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_851422499.pdb -s /var/tmp/to_scwrl_851422499.seq -o /var/tmp/from_scwrl_851422499.pdb > /var/tmp/scwrl_851422499.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_851422499.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 T0322 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 142 ; scwrl3 -i /var/tmp/to_scwrl_932868286.pdb -s /var/tmp/to_scwrl_932868286.seq -o /var/tmp/from_scwrl_932868286.pdb > /var/tmp/scwrl_932868286.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_932868286.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 T0322 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 142 ; scwrl3 -i /var/tmp/to_scwrl_1157350610.pdb -s /var/tmp/to_scwrl_1157350610.seq -o /var/tmp/from_scwrl_1157350610.pdb > /var/tmp/scwrl_1157350610.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1157350610.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS2-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_869098321.pdb -s /var/tmp/to_scwrl_869098321.seq -o /var/tmp/from_scwrl_869098321.pdb > /var/tmp/scwrl_869098321.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_869098321.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS3-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS4.pdb.gz looking for model 1 # Found a chain break before 155 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_794058493.pdb -s /var/tmp/to_scwrl_794058493.seq -o /var/tmp/from_scwrl_794058493.pdb > /var/tmp/scwrl_794058493.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_794058493.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS4-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1674319790.pdb -s /var/tmp/to_scwrl_1674319790.seq -o /var/tmp/from_scwrl_1674319790.pdb > /var/tmp/scwrl_1674319790.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1674319790.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 T0322 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1738198469.pdb -s /var/tmp/to_scwrl_1738198469.seq -o /var/tmp/from_scwrl_1738198469.pdb > /var/tmp/scwrl_1738198469.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1738198469.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 T0322 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_99132934.pdb -s /var/tmp/to_scwrl_99132934.seq -o /var/tmp/from_scwrl_99132934.pdb > /var/tmp/scwrl_99132934.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_99132934.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 T0322 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1302564433.pdb -s /var/tmp/to_scwrl_1302564433.seq -o /var/tmp/from_scwrl_1302564433.pdb > /var/tmp/scwrl_1302564433.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1302564433.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 T0322 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_906422851.pdb -s /var/tmp/to_scwrl_906422851.seq -o /var/tmp/from_scwrl_906422851.pdb > /var/tmp/scwrl_906422851.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_906422851.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 T0322 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1864101159.pdb -s /var/tmp/to_scwrl_1864101159.seq -o /var/tmp/from_scwrl_1864101159.pdb > /var/tmp/scwrl_1864101159.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1864101159.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 81 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1083869649.pdb -s /var/tmp/to_scwrl_1083869649.seq -o /var/tmp/from_scwrl_1083869649.pdb > /var/tmp/scwrl_1083869649.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1083869649.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 127 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_677638217.pdb -s /var/tmp/to_scwrl_677638217.seq -o /var/tmp/from_scwrl_677638217.pdb > /var/tmp/scwrl_677638217.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_677638217.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 140 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_2116482318.pdb -s /var/tmp/to_scwrl_2116482318.seq -o /var/tmp/from_scwrl_2116482318.pdb > /var/tmp/scwrl_2116482318.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2116482318.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 123 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_943856929.pdb -s /var/tmp/to_scwrl_943856929.seq -o /var/tmp/from_scwrl_943856929.pdb > /var/tmp/scwrl_943856929.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_943856929.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 104 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1546351690.pdb -s /var/tmp/to_scwrl_1546351690.seq -o /var/tmp/from_scwrl_1546351690.pdb > /var/tmp/scwrl_1546351690.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1546351690.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 151 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1679613361.pdb -s /var/tmp/to_scwrl_1679613361.seq -o /var/tmp/from_scwrl_1679613361.pdb > /var/tmp/scwrl_1679613361.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1679613361.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 147 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1141062336.pdb -s /var/tmp/to_scwrl_1141062336.seq -o /var/tmp/from_scwrl_1141062336.pdb > /var/tmp/scwrl_1141062336.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1141062336.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 152 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1931123631.pdb -s /var/tmp/to_scwrl_1931123631.seq -o /var/tmp/from_scwrl_1931123631.pdb > /var/tmp/scwrl_1931123631.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1931123631.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 152 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1111504048.pdb -s /var/tmp/to_scwrl_1111504048.seq -o /var/tmp/from_scwrl_1111504048.pdb > /var/tmp/scwrl_1111504048.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1111504048.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 151 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1511482801.pdb -s /var/tmp/to_scwrl_1511482801.seq -o /var/tmp/from_scwrl_1511482801.pdb > /var/tmp/scwrl_1511482801.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1511482801.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 32 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_277770999.pdb -s /var/tmp/to_scwrl_277770999.seq -o /var/tmp/from_scwrl_277770999.pdb > /var/tmp/scwrl_277770999.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_277770999.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 138 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_112496535.pdb -s /var/tmp/to_scwrl_112496535.seq -o /var/tmp/from_scwrl_112496535.pdb > /var/tmp/scwrl_112496535.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_112496535.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 111 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_426366878.pdb -s /var/tmp/to_scwrl_426366878.seq -o /var/tmp/from_scwrl_426366878.pdb > /var/tmp/scwrl_426366878.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_426366878.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 111 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_2116940659.pdb -s /var/tmp/to_scwrl_2116940659.seq -o /var/tmp/from_scwrl_2116940659.pdb > /var/tmp/scwrl_2116940659.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2116940659.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 125 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1298443135.pdb -s /var/tmp/to_scwrl_1298443135.seq -o /var/tmp/from_scwrl_1298443135.pdb > /var/tmp/scwrl_1298443135.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1298443135.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 146 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_386979951.pdb -s /var/tmp/to_scwrl_386979951.seq -o /var/tmp/from_scwrl_386979951.pdb > /var/tmp/scwrl_386979951.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_386979951.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 156 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1020186996.pdb -s /var/tmp/to_scwrl_1020186996.seq -o /var/tmp/from_scwrl_1020186996.pdb > /var/tmp/scwrl_1020186996.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1020186996.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 89 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1454395721.pdb -s /var/tmp/to_scwrl_1454395721.seq -o /var/tmp/from_scwrl_1454395721.pdb > /var/tmp/scwrl_1454395721.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1454395721.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 151 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1308943346.pdb -s /var/tmp/to_scwrl_1308943346.seq -o /var/tmp/from_scwrl_1308943346.pdb > /var/tmp/scwrl_1308943346.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1308943346.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 125 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_490480109.pdb -s /var/tmp/to_scwrl_490480109.seq -o /var/tmp/from_scwrl_490480109.pdb > /var/tmp/scwrl_490480109.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_490480109.pdb # conformation set from SCWRL output # naming current conformation ROBETTA_TS5-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS1.pdb.gz looking for model 1 # Found a chain break before 146 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_158334573.pdb -s /var/tmp/to_scwrl_158334573.seq -o /var/tmp/from_scwrl_158334573.pdb > /var/tmp/scwrl_158334573.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_158334573.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS1-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS2.pdb.gz looking for model 1 # Found a chain break before 104 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_94327986.pdb -s /var/tmp/to_scwrl_94327986.seq -o /var/tmp/from_scwrl_94327986.pdb > /var/tmp/scwrl_94327986.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_94327986.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS2-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS3.pdb.gz looking for model 1 # Found a chain break before 126 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1647830719.pdb -s /var/tmp/to_scwrl_1647830719.seq -o /var/tmp/from_scwrl_1647830719.pdb > /var/tmp/scwrl_1647830719.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1647830719.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS3-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS4.pdb.gz looking for model 1 # Found a chain break before 110 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1027432894.pdb -s /var/tmp/to_scwrl_1027432894.seq -o /var/tmp/from_scwrl_1027432894.pdb > /var/tmp/scwrl_1027432894.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1027432894.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS4-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS5.pdb.gz looking for model 1 # Found a chain break before 114 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_888386479.pdb -s /var/tmp/to_scwrl_888386479.seq -o /var/tmp/from_scwrl_888386479.pdb > /var/tmp/scwrl_888386479.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_888386479.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS5-scwrl # ReadConformPDB reading from PDB file servers/SAM-T02_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1174666863.pdb -s /var/tmp/to_scwrl_1174666863.seq -o /var/tmp/from_scwrl_1174666863.pdb > /var/tmp/scwrl_1174666863.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1174666863.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 T0322 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_618147717.pdb -s /var/tmp/to_scwrl_618147717.seq -o /var/tmp/from_scwrl_618147717.pdb > /var/tmp/scwrl_618147717.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_618147717.pdb # conformation set from SCWRL output # naming current conformation SAM-T02_AL2-scwrl # ReadConformPDB reading from PDB file servers/SAM-T02_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_987519413.pdb -s /var/tmp/to_scwrl_987519413.seq -o /var/tmp/from_scwrl_987519413.pdb > /var/tmp/scwrl_987519413.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_987519413.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 T0322 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_329747650.pdb -s /var/tmp/to_scwrl_329747650.seq -o /var/tmp/from_scwrl_329747650.pdb > /var/tmp/scwrl_329747650.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_329747650.pdb # conformation set from SCWRL output # naming current conformation SAM-T02_AL4-scwrl # ReadConformPDB reading from PDB file servers/SAM-T02_AL5.pdb.gz looking for model 1 Skipped atom 38, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 40, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 42, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 44, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 74, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 76, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 78, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 80, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 127, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 244, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 356, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 358, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 360, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 362, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 424, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 426, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 428, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 430, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1524570567.pdb -s /var/tmp/to_scwrl_1524570567.seq -o /var/tmp/from_scwrl_1524570567.pdb > /var/tmp/scwrl_1524570567.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1524570567.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 T0322 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_704136926.pdb -s /var/tmp/to_scwrl_704136926.seq -o /var/tmp/from_scwrl_704136926.pdb > /var/tmp/scwrl_704136926.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_704136926.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 T0322 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1413617299.pdb -s /var/tmp/to_scwrl_1413617299.seq -o /var/tmp/from_scwrl_1413617299.pdb > /var/tmp/scwrl_1413617299.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1413617299.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 T0322 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_54725137.pdb -s /var/tmp/to_scwrl_54725137.seq -o /var/tmp/from_scwrl_54725137.pdb > /var/tmp/scwrl_54725137.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_54725137.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 T0322 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_673135597.pdb -s /var/tmp/to_scwrl_673135597.seq -o /var/tmp/from_scwrl_673135597.pdb > /var/tmp/scwrl_673135597.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_673135597.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 Skipped atom 43, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz Skipped atom 91, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz Skipped atom 93, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz Skipped atom 95, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz Skipped atom 97, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz Skipped atom 152, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz Skipped atom 257, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz Skipped atom 322, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz Skipped atom 395, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_209990581.pdb -s /var/tmp/to_scwrl_209990581.seq -o /var/tmp/from_scwrl_209990581.pdb > /var/tmp/scwrl_209990581.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_209990581.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 142 # copying to AlignedFragments data structure # naming current conformation SAM_T06_server_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1601076828.pdb -s /var/tmp/to_scwrl_1601076828.seq -o /var/tmp/from_scwrl_1601076828.pdb > /var/tmp/scwrl_1601076828.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1601076828.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 T0322 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_205265311.pdb -s /var/tmp/to_scwrl_205265311.seq -o /var/tmp/from_scwrl_205265311.pdb > /var/tmp/scwrl_205265311.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_205265311.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 T0322 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1351052917.pdb -s /var/tmp/to_scwrl_1351052917.seq -o /var/tmp/from_scwrl_1351052917.pdb > /var/tmp/scwrl_1351052917.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1351052917.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 T0322 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1384716812.pdb -s /var/tmp/to_scwrl_1384716812.seq -o /var/tmp/from_scwrl_1384716812.pdb > /var/tmp/scwrl_1384716812.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1384716812.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 T0322 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1316769360.pdb -s /var/tmp/to_scwrl_1316769360.seq -o /var/tmp/from_scwrl_1316769360.pdb > /var/tmp/scwrl_1316769360.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1316769360.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 127 # copying to AlignedFragments data structure # naming current conformation SP3_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_715052073.pdb -s /var/tmp/to_scwrl_715052073.seq -o /var/tmp/from_scwrl_715052073.pdb > /var/tmp/scwrl_715052073.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_715052073.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 114 # copying to AlignedFragments data structure # naming current conformation SP3_TS2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1662487811.pdb -s /var/tmp/to_scwrl_1662487811.seq -o /var/tmp/from_scwrl_1662487811.pdb > /var/tmp/scwrl_1662487811.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1662487811.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 76 # copying to AlignedFragments data structure # naming current conformation SP3_TS3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1429265895.pdb -s /var/tmp/to_scwrl_1429265895.seq -o /var/tmp/from_scwrl_1429265895.pdb > /var/tmp/scwrl_1429265895.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1429265895.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 116 # copying to AlignedFragments data structure # naming current conformation SP3_TS4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1141418950.pdb -s /var/tmp/to_scwrl_1141418950.seq -o /var/tmp/from_scwrl_1141418950.pdb > /var/tmp/scwrl_1141418950.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1141418950.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 121 # copying to AlignedFragments data structure # naming current conformation SP3_TS5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1631944823.pdb -s /var/tmp/to_scwrl_1631944823.seq -o /var/tmp/from_scwrl_1631944823.pdb > /var/tmp/scwrl_1631944823.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1631944823.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 82 # copying to AlignedFragments data structure # naming current conformation SP4_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_580225384.pdb -s /var/tmp/to_scwrl_580225384.seq -o /var/tmp/from_scwrl_580225384.pdb > /var/tmp/scwrl_580225384.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_580225384.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 103 # copying to AlignedFragments data structure # naming current conformation SP4_TS2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1528398902.pdb -s /var/tmp/to_scwrl_1528398902.seq -o /var/tmp/from_scwrl_1528398902.pdb > /var/tmp/scwrl_1528398902.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1528398902.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 114 # copying to AlignedFragments data structure # naming current conformation SP4_TS3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_504648172.pdb -s /var/tmp/to_scwrl_504648172.seq -o /var/tmp/from_scwrl_504648172.pdb > /var/tmp/scwrl_504648172.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_504648172.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 103 # copying to AlignedFragments data structure # naming current conformation SP4_TS4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_2034621106.pdb -s /var/tmp/to_scwrl_2034621106.seq -o /var/tmp/from_scwrl_2034621106.pdb > /var/tmp/scwrl_2034621106.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2034621106.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 114 # copying to AlignedFragments data structure # naming current conformation SP4_TS5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_689858602.pdb -s /var/tmp/to_scwrl_689858602.seq -o /var/tmp/from_scwrl_689858602.pdb > /var/tmp/scwrl_689858602.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_689858602.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 127 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_995128282.pdb -s /var/tmp/to_scwrl_995128282.seq -o /var/tmp/from_scwrl_995128282.pdb > /var/tmp/scwrl_995128282.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_995128282.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 116 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_45472032.pdb -s /var/tmp/to_scwrl_45472032.seq -o /var/tmp/from_scwrl_45472032.pdb > /var/tmp/scwrl_45472032.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_45472032.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 141 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_784186588.pdb -s /var/tmp/to_scwrl_784186588.seq -o /var/tmp/from_scwrl_784186588.pdb > /var/tmp/scwrl_784186588.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_784186588.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 137 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_495475354.pdb -s /var/tmp/to_scwrl_495475354.seq -o /var/tmp/from_scwrl_495475354.pdb > /var/tmp/scwrl_495475354.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_495475354.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 81 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1072904927.pdb -s /var/tmp/to_scwrl_1072904927.seq -o /var/tmp/from_scwrl_1072904927.pdb > /var/tmp/scwrl_1072904927.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1072904927.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 T0322 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1672573066.pdb -s /var/tmp/to_scwrl_1672573066.seq -o /var/tmp/from_scwrl_1672573066.pdb > /var/tmp/scwrl_1672573066.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1672573066.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 T0322 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1670142217.pdb -s /var/tmp/to_scwrl_1670142217.seq -o /var/tmp/from_scwrl_1670142217.pdb > /var/tmp/scwrl_1670142217.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1670142217.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 T0322 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1691052643.pdb -s /var/tmp/to_scwrl_1691052643.seq -o /var/tmp/from_scwrl_1691052643.pdb > /var/tmp/scwrl_1691052643.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1691052643.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 T0322 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_512608833.pdb -s /var/tmp/to_scwrl_512608833.seq -o /var/tmp/from_scwrl_512608833.pdb > /var/tmp/scwrl_512608833.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_512608833.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 T0322 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1999889868.pdb -s /var/tmp/to_scwrl_1999889868.seq -o /var/tmp/from_scwrl_1999889868.pdb > /var/tmp/scwrl_1999889868.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1999889868.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: atoms too close: (T0322)D7.CA and (T0322)E15.CA only 0.000 apart, marking (T0322)E15.CA as missing # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # naming current conformation UNI-EID_expm_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1068139564.pdb -s /var/tmp/to_scwrl_1068139564.seq -o /var/tmp/from_scwrl_1068139564.pdb > /var/tmp/scwrl_1068139564.log Error: Couldn't open file /var/tmp/from_scwrl_1068139564.pdb or /var/tmp/from_scwrl_1068139564.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1068139564_b.pdb or decoys//var/tmp/from_scwrl_1068139564_b.pdb.gz for input Trying /var/tmp/from_scwrl_1068139564_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1068139564_b.pdb or /var/tmp/from_scwrl_1068139564_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1068139564_a.pdb or decoys//var/tmp/from_scwrl_1068139564_a.pdb.gz for input Trying /var/tmp/from_scwrl_1068139564_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1068139564_a.pdb or /var/tmp/from_scwrl_1068139564_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1068139564.pdb or /var/tmp/from_scwrl_1068139564_b.pdb or /var/tmp/from_scwrl_1068139564_a.pdb Error: no new SCWRL conformation added # 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 T0322 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1216745758.pdb -s /var/tmp/to_scwrl_1216745758.seq -o /var/tmp/from_scwrl_1216745758.pdb > /var/tmp/scwrl_1216745758.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1216745758.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 T0322 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1266023520.pdb -s /var/tmp/to_scwrl_1266023520.seq -o /var/tmp/from_scwrl_1266023520.pdb > /var/tmp/scwrl_1266023520.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1266023520.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 Skipped atom 38, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 40, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 42, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 44, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 74, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 76, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 78, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 80, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 127, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 244, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 356, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 358, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 360, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 362, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 424, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 426, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 428, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 430, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1122864700.pdb -s /var/tmp/to_scwrl_1122864700.seq -o /var/tmp/from_scwrl_1122864700.pdb > /var/tmp/scwrl_1122864700.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1122864700.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 T0322 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1889881355.pdb -s /var/tmp/to_scwrl_1889881355.seq -o /var/tmp/from_scwrl_1889881355.pdb > /var/tmp/scwrl_1889881355.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1889881355.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_sfst_AL4-scwrl # ReadConformPDB reading from PDB file servers/Zhang-Server_TS1.pdb.gz looking for model 1 # Found a chain break before 153 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1476014102.pdb -s /var/tmp/to_scwrl_1476014102.seq -o /var/tmp/from_scwrl_1476014102.pdb > /var/tmp/scwrl_1476014102.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1476014102.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 153 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_576457882.pdb -s /var/tmp/to_scwrl_576457882.seq -o /var/tmp/from_scwrl_576457882.pdb > /var/tmp/scwrl_576457882.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_576457882.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 149 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_2095146666.pdb -s /var/tmp/to_scwrl_2095146666.seq -o /var/tmp/from_scwrl_2095146666.pdb > /var/tmp/scwrl_2095146666.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2095146666.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 155 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_679583373.pdb -s /var/tmp/to_scwrl_679583373.seq -o /var/tmp/from_scwrl_679583373.pdb > /var/tmp/scwrl_679583373.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_679583373.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 110 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1961174694.pdb -s /var/tmp/to_scwrl_1961174694.seq -o /var/tmp/from_scwrl_1961174694.pdb > /var/tmp/scwrl_1961174694.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1961174694.pdb # conformation set from SCWRL output # naming current conformation Zhang-Server_TS5-scwrl # ReadConformPDB reading from PDB file servers/beautshot_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # naming current conformation beautshot_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1264432379.pdb -s /var/tmp/to_scwrl_1264432379.seq -o /var/tmp/from_scwrl_1264432379.pdb > /var/tmp/scwrl_1264432379.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1264432379.pdb # conformation set from SCWRL output # naming current conformation beautshot_TS1-scwrl # ReadConformPDB reading from PDB file servers/beautshotbase_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # naming current conformation beautshotbase_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1394635445.pdb -s /var/tmp/to_scwrl_1394635445.seq -o /var/tmp/from_scwrl_1394635445.pdb > /var/tmp/scwrl_1394635445.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1394635445.pdb # conformation set from SCWRL output # naming current conformation beautshotbase_TS1-scwrl # ReadConformPDB reading from PDB file servers/forecast-s_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # naming current conformation forecast-s_AL1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1476178858.pdb -s /var/tmp/to_scwrl_1476178858.seq -o /var/tmp/from_scwrl_1476178858.pdb > /var/tmp/scwrl_1476178858.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1476178858.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 T0322 can't currently be optimized by undertaker # naming current conformation forecast-s_AL2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_546214628.pdb -s /var/tmp/to_scwrl_546214628.seq -o /var/tmp/from_scwrl_546214628.pdb > /var/tmp/scwrl_546214628.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_546214628.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 T0322 can't currently be optimized by undertaker # naming current conformation forecast-s_AL3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_388570750.pdb -s /var/tmp/to_scwrl_388570750.seq -o /var/tmp/from_scwrl_388570750.pdb > /var/tmp/scwrl_388570750.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_388570750.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 T0322 can't currently be optimized by undertaker # naming current conformation forecast-s_AL4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_960640035.pdb -s /var/tmp/to_scwrl_960640035.seq -o /var/tmp/from_scwrl_960640035.pdb > /var/tmp/scwrl_960640035.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_960640035.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 T0322 can't currently be optimized by undertaker # naming current conformation forecast-s_AL5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1126440012.pdb -s /var/tmp/to_scwrl_1126440012.seq -o /var/tmp/from_scwrl_1126440012.pdb > /var/tmp/scwrl_1126440012.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1126440012.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 T0322 can't currently be optimized by undertaker # naming current conformation gtg_AL1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1916969652.pdb -s /var/tmp/to_scwrl_1916969652.seq -o /var/tmp/from_scwrl_1916969652.pdb > /var/tmp/scwrl_1916969652.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1916969652.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 T0322 can't currently be optimized by undertaker # naming current conformation gtg_AL2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1465288207.pdb -s /var/tmp/to_scwrl_1465288207.seq -o /var/tmp/from_scwrl_1465288207.pdb > /var/tmp/scwrl_1465288207.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1465288207.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 T0322 can't currently be optimized by undertaker # naming current conformation gtg_AL3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1013577472.pdb -s /var/tmp/to_scwrl_1013577472.seq -o /var/tmp/from_scwrl_1013577472.pdb > /var/tmp/scwrl_1013577472.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1013577472.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 14, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL4.pdb.gz Skipped atom 16, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL4.pdb.gz Skipped atom 18, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL4.pdb.gz Skipped atom 20, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL4.pdb.gz Skipped atom 70, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL4.pdb.gz Skipped atom 72, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL4.pdb.gz Skipped atom 74, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL4.pdb.gz Skipped atom 76, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL4.pdb.gz Skipped atom 106, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL4.pdb.gz Skipped atom 108, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL4.pdb.gz Skipped atom 110, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL4.pdb.gz Skipped atom 112, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL4.pdb.gz Skipped atom 159, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL4.pdb.gz Skipped atom 276, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL4.pdb.gz Skipped atom 388, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL4.pdb.gz Skipped atom 390, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL4.pdb.gz Skipped atom 392, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL4.pdb.gz Skipped atom 394, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL4.pdb.gz Skipped atom 456, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL4.pdb.gz Skipped atom 458, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL4.pdb.gz Skipped atom 460, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL4.pdb.gz Skipped atom 462, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL4.pdb.gz # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # naming current conformation gtg_AL4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_459344607.pdb -s /var/tmp/to_scwrl_459344607.seq -o /var/tmp/from_scwrl_459344607.pdb > /var/tmp/scwrl_459344607.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_459344607.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 T0322 can't currently be optimized by undertaker # naming current conformation gtg_AL5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_312932842.pdb -s /var/tmp/to_scwrl_312932842.seq -o /var/tmp/from_scwrl_312932842.pdb > /var/tmp/scwrl_312932842.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_312932842.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 153 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1059049504.pdb -s /var/tmp/to_scwrl_1059049504.seq -o /var/tmp/from_scwrl_1059049504.pdb > /var/tmp/scwrl_1059049504.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1059049504.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 143 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1243531195.pdb -s /var/tmp/to_scwrl_1243531195.seq -o /var/tmp/from_scwrl_1243531195.pdb > /var/tmp/scwrl_1243531195.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1243531195.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 32 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_808408196.pdb -s /var/tmp/to_scwrl_808408196.seq -o /var/tmp/from_scwrl_808408196.pdb > /var/tmp/scwrl_808408196.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_808408196.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 101 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_2131954430.pdb -s /var/tmp/to_scwrl_2131954430.seq -o /var/tmp/from_scwrl_2131954430.pdb > /var/tmp/scwrl_2131954430.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2131954430.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 105 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_768620615.pdb -s /var/tmp/to_scwrl_768620615.seq -o /var/tmp/from_scwrl_768620615.pdb > /var/tmp/scwrl_768620615.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_768620615.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: (T0322)A143.O and (T0322)R144.N only 0.000 apart, marking (T0322)R144.N as missing # WARNING: incomplete conformation T0322 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 142 ; scwrl3 -i /var/tmp/to_scwrl_331066767.pdb -s /var/tmp/to_scwrl_331066767.seq -o /var/tmp/from_scwrl_331066767.pdb > /var/tmp/scwrl_331066767.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_331066767.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 156 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1675523426.pdb -s /var/tmp/to_scwrl_1675523426.seq -o /var/tmp/from_scwrl_1675523426.pdb > /var/tmp/scwrl_1675523426.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1675523426.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 156 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1281229447.pdb -s /var/tmp/to_scwrl_1281229447.seq -o /var/tmp/from_scwrl_1281229447.pdb > /var/tmp/scwrl_1281229447.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1281229447.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 154 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_183472988.pdb -s /var/tmp/to_scwrl_183472988.seq -o /var/tmp/from_scwrl_183472988.pdb > /var/tmp/scwrl_183472988.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_183472988.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS4-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS5.pdb.gz looking for model 1 # Found a chain break before 156 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_596179343.pdb -s /var/tmp/to_scwrl_596179343.seq -o /var/tmp/from_scwrl_596179343.pdb > /var/tmp/scwrl_596179343.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_596179343.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 T0322 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_350491559.pdb -s /var/tmp/to_scwrl_350491559.seq -o /var/tmp/from_scwrl_350491559.pdb > /var/tmp/scwrl_350491559.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_350491559.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 T0322 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1449496508.pdb -s /var/tmp/to_scwrl_1449496508.seq -o /var/tmp/from_scwrl_1449496508.pdb > /var/tmp/scwrl_1449496508.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1449496508.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 T0322 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1719044044.pdb -s /var/tmp/to_scwrl_1719044044.seq -o /var/tmp/from_scwrl_1719044044.pdb > /var/tmp/scwrl_1719044044.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1719044044.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 T0322 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_92889267.pdb -s /var/tmp/to_scwrl_92889267.seq -o /var/tmp/from_scwrl_92889267.pdb > /var/tmp/scwrl_92889267.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_92889267.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 T0322 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_778026964.pdb -s /var/tmp/to_scwrl_778026964.seq -o /var/tmp/from_scwrl_778026964.pdb > /var/tmp/scwrl_778026964.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_778026964.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 145 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_148018279.pdb -s /var/tmp/to_scwrl_148018279.seq -o /var/tmp/from_scwrl_148018279.pdb > /var/tmp/scwrl_148018279.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_148018279.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 145 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_40552287.pdb -s /var/tmp/to_scwrl_40552287.seq -o /var/tmp/from_scwrl_40552287.pdb > /var/tmp/scwrl_40552287.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_40552287.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 147 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1457610337.pdb -s /var/tmp/to_scwrl_1457610337.seq -o /var/tmp/from_scwrl_1457610337.pdb > /var/tmp/scwrl_1457610337.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1457610337.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 142 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_2109192974.pdb -s /var/tmp/to_scwrl_2109192974.seq -o /var/tmp/from_scwrl_2109192974.pdb > /var/tmp/scwrl_2109192974.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2109192974.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 138 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1304984666.pdb -s /var/tmp/to_scwrl_1304984666.seq -o /var/tmp/from_scwrl_1304984666.pdb > /var/tmp/scwrl_1304984666.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1304984666.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 T0322 can't currently be optimized by undertaker # naming current conformation mGen-3D_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_704762136.pdb -s /var/tmp/to_scwrl_704762136.seq -o /var/tmp/from_scwrl_704762136.pdb > /var/tmp/scwrl_704762136.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_704762136.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 T0322 can't currently be optimized by undertaker # naming current conformation nFOLD_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1437888185.pdb -s /var/tmp/to_scwrl_1437888185.seq -o /var/tmp/from_scwrl_1437888185.pdb > /var/tmp/scwrl_1437888185.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1437888185.pdb # conformation set from SCWRL output # naming current conformation nFOLD_TS1-scwrl # ReadConformPDB reading from PDB file servers/nFOLD_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # naming current conformation nFOLD_TS2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1851199295.pdb -s /var/tmp/to_scwrl_1851199295.seq -o /var/tmp/from_scwrl_1851199295.pdb > /var/tmp/scwrl_1851199295.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1851199295.pdb # conformation set from SCWRL output # naming current conformation nFOLD_TS2-scwrl # ReadConformPDB reading from PDB file servers/nFOLD_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # naming current conformation nFOLD_TS3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1093332885.pdb -s /var/tmp/to_scwrl_1093332885.seq -o /var/tmp/from_scwrl_1093332885.pdb > /var/tmp/scwrl_1093332885.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1093332885.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 141 in servers/nFOLD_TS4.pdb.gz # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # naming current conformation nFOLD_TS4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_251044574.pdb -s /var/tmp/to_scwrl_251044574.seq -o /var/tmp/from_scwrl_251044574.pdb > /var/tmp/scwrl_251044574.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_251044574.pdb # conformation set from SCWRL output # naming current conformation nFOLD_TS4-scwrl # ReadConformPDB reading from PDB file servers/nFOLD_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # naming current conformation nFOLD_TS5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_830155661.pdb -s /var/tmp/to_scwrl_830155661.seq -o /var/tmp/from_scwrl_830155661.pdb > /var/tmp/scwrl_830155661.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_830155661.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 T0322 can't currently be optimized by undertaker # naming current conformation panther2_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_862818891.pdb -s /var/tmp/to_scwrl_862818891.seq -o /var/tmp/from_scwrl_862818891.pdb > /var/tmp/scwrl_862818891.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_862818891.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 T0322 can't currently be optimized by undertaker # naming current conformation shub_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1716332781.pdb -s /var/tmp/to_scwrl_1716332781.seq -o /var/tmp/from_scwrl_1716332781.pdb > /var/tmp/scwrl_1716332781.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1716332781.pdb # conformation set from SCWRL output # naming current conformation shub_TS1-scwrl # command:CPU_time= 39.296 sec, elapsed time= 756.031 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 = -30.5923 shub_TS1 costs 0 real_cost = -29.6173 panther2_TS1-scwrl costs 0 real_cost = -41.2548 panther2_TS1 costs 0 real_cost = -29.0179 nFOLD_TS5-scwrl costs 0 real_cost = 75.3368 nFOLD_TS5 costs 0 real_cost = 159.442 nFOLD_TS4-scwrl costs 0 real_cost = -23.8178 nFOLD_TS4 costs 0 real_cost = 34.4973 nFOLD_TS3-scwrl costs 0 real_cost = -20.9741 nFOLD_TS3 costs 0 real_cost = 45.2363 nFOLD_TS2-scwrl costs 0 real_cost = -44.0111 nFOLD_TS2 costs 0 real_cost = 13.6018 nFOLD_TS1-scwrl costs 0 real_cost = -11.0749 nFOLD_TS1 costs 0 real_cost = 54.3277 mGen-3D_TS1-scwrl costs 0 real_cost = -14.4164 mGen-3D_TS1 costs 0 real_cost = 47.2439 keasar-server_TS5-scwrl costs 0 real_cost = 15.4462 keasar-server_TS5 costs 0 real_cost = 17.5519 keasar-server_TS4-scwrl costs 0 real_cost = 3.39784 keasar-server_TS4 costs 0 real_cost = 19.7497 keasar-server_TS3-scwrl costs 0 real_cost = -16.6267 keasar-server_TS3 costs 0 real_cost = 0.486852 keasar-server_TS2-scwrl costs 0 real_cost = -24.5291 keasar-server_TS2 costs 0 real_cost = -7.12343 keasar-server_TS1-scwrl costs 0 real_cost = 19.8933 keasar-server_TS1 costs 0 real_cost = 31.2761 karypis.srv_TS5-scwrl costs 0 real_cost = 17.261 karypis.srv_TS5 costs 0 real_cost = 16.4961 karypis.srv_TS4-scwrl costs 0 real_cost = -58.5255 karypis.srv_TS4 costs 0 real_cost = -59.8761 karypis.srv_TS3-scwrl costs 0 real_cost = -42.2783 karypis.srv_TS3 costs 0 real_cost = -43.8219 karypis.srv_TS2-scwrl costs 0 real_cost = -21.8775 karypis.srv_TS2 costs 0 real_cost = -25.0522 karypis.srv_TS1-scwrl costs 0 real_cost = -61.8905 karypis.srv_TS1 costs 0 real_cost = -64.5078 karypis.srv.4_TS5-scwrl costs 0 real_cost = 328.57 karypis.srv.4_TS5 costs 0 real_cost = 328.57 karypis.srv.4_TS4-scwrl costs 0 real_cost = 340.781 karypis.srv.4_TS4 costs 0 real_cost = 340.781 karypis.srv.4_TS3-scwrl costs 0 real_cost = 324.957 karypis.srv.4_TS3 costs 0 real_cost = 325.005 karypis.srv.4_TS2-scwrl costs 0 real_cost = 268.448 karypis.srv.4_TS2 costs 0 real_cost = 268.448 karypis.srv.4_TS1-scwrl costs 0 real_cost = 281.452 karypis.srv.4_TS1 costs 0 real_cost = 281.452 karypis.srv.2_TS5-scwrl costs 0 real_cost = -30.3371 karypis.srv.2_TS5 costs 0 real_cost = -30.3741 karypis.srv.2_TS4-scwrl costs 0 real_cost = -46.8889 karypis.srv.2_TS4 costs 0 real_cost = -46.9107 karypis.srv.2_TS3-scwrl costs 0 real_cost = -17.126 karypis.srv.2_TS3 costs 0 real_cost = -17.4932 karypis.srv.2_TS2-scwrl costs 0 real_cost = -27.4746 karypis.srv.2_TS2 costs 0 real_cost = -27.4551 karypis.srv.2_TS1-scwrl costs 0 real_cost = -43.1232 karypis.srv.2_TS1 costs 0 real_cost = -41.856 gtg_AL5-scwrl costs 0 real_cost = 96.7126 gtg_AL5 costs 0 real_cost = 170.053 gtg_AL4-scwrl costs 0 real_cost = -44.8312 gtg_AL4 costs 0 real_cost = 27.595 gtg_AL3-scwrl costs 0 real_cost = -17.1018 gtg_AL3 costs 0 real_cost = 54.286 gtg_AL2-scwrl costs 0 real_cost = -17.0758 gtg_AL2 costs 0 real_cost = 63.9575 gtg_AL1-scwrl costs 0 real_cost = -11.7905 gtg_AL1 costs 0 real_cost = 66.1054 forecast-s_AL5-scwrl costs 0 real_cost = 111.156 forecast-s_AL5 costs 0 real_cost = 154.533 forecast-s_AL4-scwrl costs 0 real_cost = 79.9609 forecast-s_AL4 costs 0 real_cost = 159.585 forecast-s_AL3-scwrl costs 0 real_cost = 72.6352 forecast-s_AL3 costs 0 real_cost = 142.482 forecast-s_AL2-scwrl costs 0 real_cost = 57.5717 forecast-s_AL2 costs 0 real_cost = 134.898 forecast-s_AL1-scwrl costs 0 real_cost = 55.5709 forecast-s_AL1 costs 0 real_cost = 117.675 beautshotbase_TS1-scwrl costs 0 real_cost = -33.5739 beautshotbase_TS1 costs 0 real_cost = -30.9214 beautshot_TS1-scwrl costs 0 real_cost = -20.5213 beautshot_TS1 costs 0 real_cost = -11.9732 Zhang-Server_TS5-scwrl costs 0 real_cost = -52.6165 Zhang-Server_TS5 costs 0 real_cost = -50.6985 Zhang-Server_TS4-scwrl costs 0 real_cost = -61.947 Zhang-Server_TS4 costs 0 real_cost = -60.0065 Zhang-Server_TS3-scwrl costs 0 real_cost = -47.651 Zhang-Server_TS3 costs 0 real_cost = -48.2752 Zhang-Server_TS2-scwrl costs 0 real_cost = -67.7011 Zhang-Server_TS2 costs 0 real_cost = -63.9277 Zhang-Server_TS1-scwrl costs 0 real_cost = -74.6035 Zhang-Server_TS1 costs 0 real_cost = -65.7201 UNI-EID_sfst_AL4-scwrl costs 0 real_cost = 22.2009 UNI-EID_sfst_AL4 costs 0 real_cost = 105.526 UNI-EID_sfst_AL3-scwrl costs 0 real_cost = -50.9888 UNI-EID_sfst_AL3 costs 0 real_cost = 9.19436 UNI-EID_sfst_AL2-scwrl costs 0 real_cost = 25.0665 UNI-EID_sfst_AL2 costs 0 real_cost = 78.522 UNI-EID_sfst_AL1-scwrl costs 0 real_cost = -41.7041 UNI-EID_sfst_AL1 costs 0 real_cost = 27.6063 UNI-EID_expm_TS1-scwrl costs 0 real_cost = 85.8889 UNI-EID_bnmx_TS5-scwrl costs 0 real_cost = 20.1887 UNI-EID_bnmx_TS5 costs 0 real_cost = 104.684 UNI-EID_bnmx_TS4-scwrl costs 0 real_cost = 22.3529 UNI-EID_bnmx_TS4 costs 0 real_cost = 108.589 UNI-EID_bnmx_TS3-scwrl costs 0 real_cost = -49.6583 UNI-EID_bnmx_TS3 costs 0 real_cost = 21.4603 UNI-EID_bnmx_TS2-scwrl costs 0 real_cost = 25.0665 UNI-EID_bnmx_TS2 costs 0 real_cost = 78.522 UNI-EID_bnmx_TS1-scwrl costs 0 real_cost = -40.9833 UNI-EID_bnmx_TS1 costs 0 real_cost = 27.9564 SPARKS2_TS5-scwrl costs 0 real_cost = 7.1579 SPARKS2_TS5 costs 0 real_cost = 7.53983 SPARKS2_TS4-scwrl costs 0 real_cost = -5.68417 SPARKS2_TS4 costs 0 real_cost = -12.8264 SPARKS2_TS3-scwrl costs 0 real_cost = -22.6784 SPARKS2_TS3 costs 0 real_cost = -11.7208 SPARKS2_TS2-scwrl costs 0 real_cost = 19.7506 SPARKS2_TS2 costs 0 real_cost = 22.7693 SPARKS2_TS1-scwrl costs 0 real_cost = -49.4711 SPARKS2_TS1 costs 0 real_cost = -43.2068 SP4_TS5-scwrl costs 0 real_cost = 46.1284 SP4_TS5 costs 0 real_cost = 43.7457 SP4_TS4-scwrl costs 0 real_cost = 38.1813 SP4_TS4 costs 0 real_cost = 44.5218 SP4_TS3-scwrl costs 0 real_cost = -22.7352 SP4_TS3 costs 0 real_cost = -18.3115 SP4_TS2-scwrl costs 0 real_cost = -30.1125 SP4_TS2 costs 0 real_cost = -19.5704 SP4_TS1-scwrl costs 0 real_cost = -62.8158 SP4_TS1 costs 0 real_cost = -54.2819 SP3_TS5-scwrl costs 0 real_cost = 31.089 SP3_TS5 costs 0 real_cost = 34.9061 SP3_TS4-scwrl costs 0 real_cost = 19.7506 SP3_TS4 costs 0 real_cost = 22.7693 SP3_TS3-scwrl costs 0 real_cost = -0.664919 SP3_TS3 costs 0 real_cost = -2.00986 SP3_TS2-scwrl costs 0 real_cost = -26.2973 SP3_TS2 costs 0 real_cost = -16.4591 SP3_TS1-scwrl costs 0 real_cost = -49.4711 SP3_TS1 costs 0 real_cost = -43.2068 SAM_T06_server_TS5-scwrl costs 0 real_cost = -57.5267 SAM_T06_server_TS5 costs 0 real_cost = -79.122 SAM_T06_server_TS4-scwrl costs 0 real_cost = -38.3065 SAM_T06_server_TS4 costs 0 real_cost = -57.5345 SAM_T06_server_TS3-scwrl costs 0 real_cost = -31.3503 SAM_T06_server_TS3 costs 0 real_cost = -66.2116 SAM_T06_server_TS2-scwrl costs 0 real_cost = 91.3854 SAM_T06_server_TS2 costs 0 real_cost = 86.9398 SAM_T06_server_TS1-scwrl costs 0 real_cost = -21.2345 SAM_T06_server_TS1 costs 0 real_cost = -19.5705 SAM-T99_AL5-scwrl costs 0 real_cost = -41.9964 SAM-T99_AL5 costs 0 real_cost = 31.9802 SAM-T99_AL4-scwrl costs 0 real_cost = -23.5466 SAM-T99_AL4 costs 0 real_cost = 59.9543 SAM-T99_AL3-scwrl costs 0 real_cost = -23.042 SAM-T99_AL3 costs 0 real_cost = 59.357 SAM-T99_AL2-scwrl costs 0 real_cost = 22.0478 SAM-T99_AL2 costs 0 real_cost = 87.4648 SAM-T99_AL1-scwrl costs 0 real_cost = 43.137 SAM-T99_AL1 costs 0 real_cost = 83.7378 SAM-T02_AL5-scwrl costs 0 real_cost = -37.471 SAM-T02_AL5 costs 0 real_cost = 26.2885 SAM-T02_AL4-scwrl costs 0 real_cost = -36.3006 SAM-T02_AL4 costs 0 real_cost = 38.0127 SAM-T02_AL3-scwrl costs 0 real_cost = -41.0523 SAM-T02_AL3 costs 0 real_cost = 28.8701 SAM-T02_AL2-scwrl costs 0 real_cost = 91.4899 SAM-T02_AL2 costs 0 real_cost = 191.248 SAM-T02_AL1-scwrl costs 0 real_cost = 81.8616 SAM-T02_AL1 costs 0 real_cost = 178.621 ROKKY_TS5-scwrl costs 0 real_cost = -43.3582 ROKKY_TS5 costs 0 real_cost = -38.1464 ROKKY_TS4-scwrl costs 0 real_cost = -36.0115 ROKKY_TS4 costs 0 real_cost = -37.72 ROKKY_TS3-scwrl costs 0 real_cost = -8.29575 ROKKY_TS3 costs 0 real_cost = 3.46905 ROKKY_TS2-scwrl costs 0 real_cost = -5.18395 ROKKY_TS2 costs 0 real_cost = 11.1616 ROKKY_TS1-scwrl costs 0 real_cost = -3.64833 ROKKY_TS1 costs 0 real_cost = 8.23803 ROBETTA_TS5-scwrl costs 0 real_cost = -66.7693 ROBETTA_TS5 costs 0 real_cost = -65.9686 ROBETTA_TS4-scwrl costs 0 real_cost = 21.0534 ROBETTA_TS4 costs 0 real_cost = 18.2683 ROBETTA_TS3-scwrl costs 0 real_cost = 16.7581 ROBETTA_TS3 costs 0 real_cost = 13.5184 ROBETTA_TS2-scwrl costs 0 real_cost = -15.2437 ROBETTA_TS2 costs 0 real_cost = -11.1242 ROBETTA_TS1-scwrl costs 0 real_cost = -18.3081 ROBETTA_TS1 costs 0 real_cost = -12.0867 RAPTOR_TS5-scwrl costs 0 real_cost = -42.0423 RAPTOR_TS5 costs 0 real_cost = -37.4413 RAPTOR_TS4-scwrl costs 0 real_cost = -39.2607 RAPTOR_TS4 costs 0 real_cost = -29.319 RAPTOR_TS3-scwrl costs 0 real_cost = -39.2607 RAPTOR_TS3 costs 0 real_cost = -29.319 RAPTOR_TS2-scwrl costs 0 real_cost = 8.77763 RAPTOR_TS2 costs 0 real_cost = 13.9504 RAPTOR_TS1-scwrl costs 0 real_cost = -28.4724 RAPTOR_TS1 costs 0 real_cost = -21.6249 RAPTORESS_TS5-scwrl costs 0 real_cost = -13.0769 RAPTORESS_TS5 costs 0 real_cost = -4.51045 RAPTORESS_TS4-scwrl costs 0 real_cost = -35.9445 RAPTORESS_TS4 costs 0 real_cost = -28.7181 RAPTORESS_TS3-scwrl costs 0 real_cost = -35.9445 RAPTORESS_TS3 costs 0 real_cost = -28.7181 RAPTORESS_TS2-scwrl costs 0 real_cost = 20.5552 RAPTORESS_TS2 costs 0 real_cost = 27.9798 RAPTORESS_TS1-scwrl costs 0 real_cost = -15.6087 RAPTORESS_TS1 costs 0 real_cost = -7.97007 RAPTOR-ACE_TS5-scwrl costs 0 real_cost = -42.54 RAPTOR-ACE_TS5 costs 0 real_cost = -37.1577 RAPTOR-ACE_TS4-scwrl costs 0 real_cost = -24.8101 RAPTOR-ACE_TS4 costs 0 real_cost = -18.4562 RAPTOR-ACE_TS3-scwrl costs 0 real_cost = -40.1092 RAPTOR-ACE_TS3 costs 0 real_cost = -36.9241 RAPTOR-ACE_TS2-scwrl costs 0 real_cost = -49.4711 RAPTOR-ACE_TS2 costs 0 real_cost = -43.2068 RAPTOR-ACE_TS1-scwrl costs 0 real_cost = -30.4251 RAPTOR-ACE_TS1 costs 0 real_cost = -22.4924 Pmodeller6_TS5-scwrl costs 0 real_cost = -17.3369 Pmodeller6_TS5 costs 0 real_cost = -20.5554 Pmodeller6_TS4-scwrl costs 0 real_cost = -28.9497 Pmodeller6_TS4 costs 0 real_cost = -31.3057 Pmodeller6_TS3-scwrl costs 0 real_cost = -69.4733 Pmodeller6_TS3 costs 0 real_cost = -68.9228 Pmodeller6_TS2-scwrl costs 0 real_cost = -55.236 Pmodeller6_TS2 costs 0 real_cost = -59.5982 Pmodeller6_TS1-scwrl costs 0 real_cost = -55.8724 Pmodeller6_TS1 costs 0 real_cost = -58.4291 Phyre-2_TS5-scwrl costs 0 real_cost = -32.0175 Phyre-2_TS5 costs 0 real_cost = -28.6907 Phyre-2_TS4-scwrl costs 0 real_cost = -15.8309 Phyre-2_TS4 costs 0 real_cost = -14.7362 Phyre-2_TS3-scwrl costs 0 real_cost = -42.4836 Phyre-2_TS3 costs 0 real_cost = -37.5667 Phyre-2_TS2-scwrl costs 0 real_cost = -36.0503 Phyre-2_TS2 costs 0 real_cost = -31.4969 Phyre-2_TS1-scwrl costs 0 real_cost = -17.3934 Phyre-2_TS1 costs 0 real_cost = -15.1939 Phyre-1_TS1-scwrl costs 0 real_cost = 5.26709 Phyre-1_TS1 costs 0 real_cost = -2.63847 Pcons6_TS5-scwrl costs 0 real_cost = -37.538 Pcons6_TS5 costs 0 real_cost = -39.0596 Pcons6_TS4-scwrl costs 0 real_cost = -31.5643 Pcons6_TS4 costs 0 real_cost = -33.4167 Pcons6_TS3-scwrl costs 0 real_cost = -34.6918 Pcons6_TS3 costs 0 real_cost = -38.3407 Pcons6_TS2-scwrl costs 0 real_cost = -40.2518 Pcons6_TS2 costs 0 real_cost = -42.6424 Pcons6_TS1-scwrl costs 0 real_cost = -55.236 Pcons6_TS1 costs 0 real_cost = -59.5982 PROTINFO_TS5-scwrl costs 0 real_cost = -15.65 PROTINFO_TS5 costs 0 real_cost = -18.7365 PROTINFO_TS4-scwrl costs 0 real_cost = -30.9858 PROTINFO_TS4 costs 0 real_cost = -27.8677 PROTINFO_TS3-scwrl costs 0 real_cost = -24.3386 PROTINFO_TS3 costs 0 real_cost = -27.6966 PROTINFO_TS2-scwrl costs 0 real_cost = -28.7134 PROTINFO_TS2 costs 0 real_cost = -32.2342 PROTINFO_TS1-scwrl costs 0 real_cost = -33.081 PROTINFO_TS1 costs 0 real_cost = -28.1205 PROTINFO-AB_TS5-scwrl costs 0 real_cost = -36.0305 PROTINFO-AB_TS5 costs 0 real_cost = -30.3496 PROTINFO-AB_TS4-scwrl costs 0 real_cost = -35.8282 PROTINFO-AB_TS4 costs 0 real_cost = -30.8874 PROTINFO-AB_TS3-scwrl costs 0 real_cost = -25.3266 PROTINFO-AB_TS3 costs 0 real_cost = -23.6749 PROTINFO-AB_TS2-scwrl costs 0 real_cost = -26.5481 PROTINFO-AB_TS2 costs 0 real_cost = -21.8062 PROTINFO-AB_TS1-scwrl costs 0 real_cost = -28.9447 PROTINFO-AB_TS1 costs 0 real_cost = -21.7588 NN_PUT_lab_TS1-scwrl costs 0 real_cost = -49.4711 NN_PUT_lab_TS1 costs 0 real_cost = -43.2068 MetaTasser_TS5-scwrl costs 0 real_cost = -0.697774 MetaTasser_TS5 costs 0 real_cost = -9.99613 MetaTasser_TS4-scwrl costs 0 real_cost = -23.0029 MetaTasser_TS4 costs 0 real_cost = -21.9319 MetaTasser_TS3-scwrl costs 0 real_cost = -34.8108 MetaTasser_TS3 costs 0 real_cost = -23.477 MetaTasser_TS2-scwrl costs 0 real_cost = -31.3238 MetaTasser_TS2 costs 0 real_cost = -32.9471 MetaTasser_TS1-scwrl costs 0 real_cost = -2.43117 MetaTasser_TS1 costs 0 real_cost = 0.685236 Ma-OPUS-server_TS5-scwrl costs 0 real_cost = -48.2177 Ma-OPUS-server_TS5 costs 0 real_cost = -31.0219 Ma-OPUS-server_TS4-scwrl costs 0 real_cost = -31.0506 Ma-OPUS-server_TS4 costs 0 real_cost = -21.8181 Ma-OPUS-server_TS3-scwrl costs 0 real_cost = -62.1684 Ma-OPUS-server_TS3 costs 0 real_cost = -57.1835 Ma-OPUS-server_TS2-scwrl costs 0 real_cost = -37.3524 Ma-OPUS-server_TS2 costs 0 real_cost = -32.5893 Ma-OPUS-server_TS1-scwrl costs 0 real_cost = -11.2805 Ma-OPUS-server_TS1 costs 0 real_cost = -10.9582 Ma-OPUS-server2_TS5-scwrl costs 0 real_cost = -31.0506 Ma-OPUS-server2_TS5 costs 0 real_cost = -21.8181 Ma-OPUS-server2_TS4-scwrl costs 0 real_cost = -34.5617 Ma-OPUS-server2_TS4 costs 0 real_cost = -28.4241 Ma-OPUS-server2_TS3-scwrl costs 0 real_cost = -26.8486 Ma-OPUS-server2_TS3 costs 0 real_cost = -13.3588 Ma-OPUS-server2_TS2-scwrl costs 0 real_cost = -28.3246 Ma-OPUS-server2_TS2 costs 0 real_cost = -24.0168 Ma-OPUS-server2_TS1-scwrl costs 0 real_cost = 35.0854 Ma-OPUS-server2_TS1 costs 0 real_cost = 45.4425 MIG_FROST_AL1-scwrl costs 0 real_cost = 333.27 LOOPP_TS5-scwrl costs 0 real_cost = 0.0147294 LOOPP_TS5 costs 0 real_cost = 7.89724 LOOPP_TS4-scwrl costs 0 real_cost = 13.9037 LOOPP_TS4 costs 0 real_cost = 24.1587 LOOPP_TS3-scwrl costs 0 real_cost = 53.4016 LOOPP_TS3 costs 0 real_cost = 57.0078 LOOPP_TS2-scwrl costs 0 real_cost = -49.3408 LOOPP_TS2 costs 0 real_cost = -47.3525 LOOPP_TS1-scwrl costs 0 real_cost = -19.0599 LOOPP_TS1 costs 0 real_cost = -17.6978 Huber-Torda-Server_TS5-scwrl costs 0 real_cost = 395.78 Huber-Torda-Server_TS5 costs 0 real_cost = 453.438 Huber-Torda-Server_TS4-scwrl costs 0 real_cost = 390.253 Huber-Torda-Server_TS4 costs 0 real_cost = 418.872 Huber-Torda-Server_TS3-scwrl costs 0 real_cost = -13.0706 Huber-Torda-Server_TS3 costs 0 real_cost = 40.3575 Huber-Torda-Server_TS2-scwrl costs 0 real_cost = 137.409 Huber-Torda-Server_TS2 costs 0 real_cost = 203.72 Huber-Torda-Server_TS1-scwrl costs 0 real_cost = 25.763 Huber-Torda-Server_TS1 costs 0 real_cost = 89.5622 HHpred3_TS1-scwrl costs 0 real_cost = -43.5723 HHpred3_TS1 costs 0 real_cost = -36.3204 HHpred2_TS1-scwrl costs 0 real_cost = -43.5723 HHpred2_TS1 costs 0 real_cost = -36.3204 HHpred1_TS1-scwrl costs 0 real_cost = -46.7011 HHpred1_TS1 costs 0 real_cost = -41.7629 GeneSilicoMetaServer_TS5-scwrl costs 0 real_cost = -31.4829 GeneSilicoMetaServer_TS5 costs 0 real_cost = -24.5821 GeneSilicoMetaServer_TS4-scwrl costs 0 real_cost = -45.3267 GeneSilicoMetaServer_TS4 costs 0 real_cost = -26.4344 GeneSilicoMetaServer_TS3-scwrl costs 0 real_cost = -35.1848 GeneSilicoMetaServer_TS3 costs 0 real_cost = -31.0869 GeneSilicoMetaServer_TS2-scwrl costs 0 real_cost = -22.3284 GeneSilicoMetaServer_TS2 costs 0 real_cost = -12.9438 GeneSilicoMetaServer_TS1-scwrl costs 0 real_cost = -31.8279 GeneSilicoMetaServer_TS1 costs 0 real_cost = -35.3157 FUNCTION_TS5-scwrl costs 0 real_cost = -26.8909 FUNCTION_TS5 costs 0 real_cost = -19.9976 FUNCTION_TS4-scwrl costs 0 real_cost = -22.794 FUNCTION_TS4 costs 0 real_cost = -10.3484 FUNCTION_TS3-scwrl costs 0 real_cost = -27.4684 FUNCTION_TS3 costs 0 real_cost = -22.1067 FUNCTION_TS2-scwrl costs 0 real_cost = -22.0664 FUNCTION_TS2 costs 0 real_cost = -10.2529 FUNCTION_TS1-scwrl costs 0 real_cost = -36.7345 FUNCTION_TS1 costs 0 real_cost = -34.612 FUGUE_AL5-scwrl costs 0 real_cost = 97.9633 FUGUE_AL5 costs 0 real_cost = 181.98 FUGUE_AL4-scwrl costs 0 real_cost = 105.22 FUGUE_AL4 costs 0 real_cost = 199.593 FUGUE_AL3-scwrl costs 0 real_cost = 18.0984 FUGUE_AL3 costs 0 real_cost = 103.547 FUGUE_AL2-scwrl costs 0 real_cost = 68.6182 FUGUE_AL2 costs 0 real_cost = 151.031 FUGUE_AL1-scwrl costs 0 real_cost = 19.1655 FUGUE_AL1 costs 0 real_cost = 100.684 FUGMOD_TS5-scwrl costs 0 real_cost = 71.5151 FUGMOD_TS5 costs 0 real_cost = 75.9494 FUGMOD_TS4-scwrl costs 0 real_cost = 148.36 FUGMOD_TS4 costs 0 real_cost = 151.402 FUGMOD_TS3-scwrl costs 0 real_cost = 9.51731 FUGMOD_TS3 costs 0 real_cost = 32.4312 FUGMOD_TS2-scwrl costs 0 real_cost = 60.8729 FUGMOD_TS2 costs 0 real_cost = 69.1579 FUGMOD_TS1-scwrl costs 0 real_cost = -2.72603 FUGMOD_TS1 costs 0 real_cost = 4.36681 FPSOLVER-SERVER_TS5-scwrl costs 0 real_cost = 309.658 FPSOLVER-SERVER_TS5 costs 0 real_cost = 312.922 FPSOLVER-SERVER_TS4-scwrl costs 0 real_cost = 319.775 FPSOLVER-SERVER_TS4 costs 0 real_cost = 321.909 FPSOLVER-SERVER_TS3-scwrl costs 0 real_cost = 331.405 FPSOLVER-SERVER_TS3 costs 0 real_cost = 331.25 FPSOLVER-SERVER_TS2-scwrl costs 0 real_cost = 345.851 FPSOLVER-SERVER_TS2 costs 0 real_cost = 345.894 FPSOLVER-SERVER_TS1-scwrl costs 0 real_cost = 309.002 FPSOLVER-SERVER_TS1 costs 0 real_cost = 308.536 FORTE2_AL5-scwrl costs 0 real_cost = 49.1221 FORTE2_AL5 costs 0 real_cost = 131.745 FORTE2_AL4-scwrl costs 0 real_cost = 49.6366 FORTE2_AL4 costs 0 real_cost = 134.357 FORTE2_AL3-scwrl costs 0 real_cost = 98.4383 FORTE2_AL3 costs 0 real_cost = 189.87 FORTE2_AL2-scwrl costs 0 real_cost = 76.4271 FORTE2_AL2 costs 0 real_cost = 163.87 FORTE2_AL1-scwrl costs 0 real_cost = 43.9962 FORTE2_AL1 costs 0 real_cost = 129.36 FORTE1_AL5-scwrl costs 0 real_cost = 49.1221 FORTE1_AL5 costs 0 real_cost = 131.745 FORTE1_AL4-scwrl costs 0 real_cost = 49.6366 FORTE1_AL4 costs 0 real_cost = 134.357 FORTE1_AL3-scwrl costs 0 real_cost = 98.4383 FORTE1_AL3 costs 0 real_cost = 189.87 FORTE1_AL2-scwrl costs 0 real_cost = 76.4271 FORTE1_AL2 costs 0 real_cost = 163.87 FORTE1_AL1-scwrl costs 0 real_cost = 43.9962 FORTE1_AL1 costs 0 real_cost = 129.36 FOLDpro_TS5-scwrl costs 0 real_cost = 49.4494 FOLDpro_TS5 costs 0 real_cost = 55.8072 FOLDpro_TS4-scwrl costs 0 real_cost = 120.009 FOLDpro_TS4 costs 0 real_cost = 117.128 FOLDpro_TS3-scwrl costs 0 real_cost = 84.1918 FOLDpro_TS3 costs 0 real_cost = 96.5616 FOLDpro_TS2-scwrl costs 0 real_cost = -72.0248 FOLDpro_TS2 costs 0 real_cost = -65.5325 FOLDpro_TS1-scwrl costs 0 real_cost = -47.9058 FOLDpro_TS1 costs 0 real_cost = -46.0831 FAMS_TS5-scwrl costs 0 real_cost = -38.9749 FAMS_TS5 costs 0 real_cost = -44.7926 FAMS_TS4-scwrl costs 0 real_cost = -3.13838 FAMS_TS4 costs 0 real_cost = -10.5617 FAMS_TS3-scwrl costs 0 real_cost = -24.8875 FAMS_TS3 costs 0 real_cost = -32.2949 FAMS_TS2-scwrl costs 0 real_cost = 18.9705 FAMS_TS2 costs 0 real_cost = 12.4388 FAMS_TS1-scwrl costs 0 real_cost = -34.8174 FAMS_TS1 costs 0 real_cost = -38.1677 FAMSD_TS5-scwrl costs 0 real_cost = -27.2072 FAMSD_TS5 costs 0 real_cost = -29.8801 FAMSD_TS4-scwrl costs 0 real_cost = -23.9297 FAMSD_TS4 costs 0 real_cost = -23.1558 FAMSD_TS3-scwrl costs 0 real_cost = -29.8684 FAMSD_TS3 costs 0 real_cost = -29.1065 FAMSD_TS2-scwrl costs 0 real_cost = -18.3617 FAMSD_TS2 costs 0 real_cost = -16.9096 FAMSD_TS1-scwrl costs 0 real_cost = -33.129 FAMSD_TS1 costs 0 real_cost = -15.9235 Distill_TS5-scwrl costs 0 real_cost = 310.824 Distill_TS4-scwrl costs 0 real_cost = 325.257 Distill_TS3-scwrl costs 0 real_cost = 321.25 Distill_TS2-scwrl costs 0 real_cost = 319.354 Distill_TS1-scwrl costs 0 real_cost = 317.479 CaspIta-FOX_TS5-scwrl costs 0 real_cost = 15.9667 CaspIta-FOX_TS5 costs 0 real_cost = 14.2751 CaspIta-FOX_TS4-scwrl costs 0 real_cost = 51.1981 CaspIta-FOX_TS4 costs 0 real_cost = 43.7791 CaspIta-FOX_TS3-scwrl costs 0 real_cost = -14.5158 CaspIta-FOX_TS3 costs 0 real_cost = -13.8213 CaspIta-FOX_TS2-scwrl costs 0 real_cost = -45.9929 CaspIta-FOX_TS2 costs 0 real_cost = -49.1345 CaspIta-FOX_TS1-scwrl costs 0 real_cost = -34.8751 CaspIta-FOX_TS1 costs 0 real_cost = -38.0898 CPHmodels_TS1-scwrl costs 0 real_cost = 132.386 CPHmodels_TS1 costs 0 real_cost = 129.353 CIRCLE_TS5-scwrl costs 0 real_cost = -3.13838 CIRCLE_TS5 costs 0 real_cost = -10.5617 CIRCLE_TS4-scwrl costs 0 real_cost = -24.8875 CIRCLE_TS4 costs 0 real_cost = -32.2949 CIRCLE_TS3-scwrl costs 0 real_cost = -38.9749 CIRCLE_TS3 costs 0 real_cost = -44.7926 CIRCLE_TS2-scwrl costs 0 real_cost = 18.9705 CIRCLE_TS2 costs 0 real_cost = 12.4388 CIRCLE_TS1-scwrl costs 0 real_cost = 14.8384 CIRCLE_TS1 costs 0 real_cost = 10.0325 Bilab-ENABLE_TS1-scwrl costs 0 real_cost = -3.65631 Bilab-ENABLE_TS1 costs 0 real_cost = -3.16999 BayesHH_TS1-scwrl costs 0 real_cost = -58.0253 BayesHH_TS1 costs 0 real_cost = -46.8199 ABIpro_TS5-scwrl costs 0 real_cost = 282.442 ABIpro_TS5 costs 0 real_cost = 283.186 ABIpro_TS4-scwrl costs 0 real_cost = 265.618 ABIpro_TS4 costs 0 real_cost = 265.571 ABIpro_TS3-scwrl costs 0 real_cost = 252.744 ABIpro_TS3 costs 0 real_cost = 252.765 ABIpro_TS2-scwrl costs 0 real_cost = 220.625 ABIpro_TS2 costs 0 real_cost = 220.625 ABIpro_TS1-scwrl costs 0 real_cost = 240.233 ABIpro_TS1 costs 0 real_cost = 240.74 3Dpro_TS5-scwrl costs 0 real_cost = 138.798 3Dpro_TS5 costs 0 real_cost = 142.768 3Dpro_TS4-scwrl costs 0 real_cost = 182.397 3Dpro_TS4 costs 0 real_cost = 182.616 3Dpro_TS3-scwrl costs 0 real_cost = 86.5566 3Dpro_TS3 costs 0 real_cost = 102.189 3Dpro_TS2-scwrl costs 0 real_cost = -19.1357 3Dpro_TS2 costs 0 real_cost = -17.5847 3Dpro_TS1-scwrl costs 0 real_cost = -40.32 3Dpro_TS1 costs 0 real_cost = -31.3068 3D-JIGSAW_TS5-scwrl costs 0 real_cost = 97.7936 3D-JIGSAW_TS5 costs 0 real_cost = 99.083 3D-JIGSAW_TS4-scwrl costs 0 real_cost = -35.929 3D-JIGSAW_TS4 costs 0 real_cost = -37.7211 3D-JIGSAW_TS3-scwrl costs 0 real_cost = 153.298 3D-JIGSAW_TS3 costs 0 real_cost = 171.967 3D-JIGSAW_TS2-scwrl costs 0 real_cost = 159.524 3D-JIGSAW_TS2 costs 0 real_cost = 170.148 3D-JIGSAW_TS1-scwrl costs 0 real_cost = 158.171 3D-JIGSAW_TS1 costs 0 real_cost = 177.463 3D-JIGSAW_RECOM_TS5-scwrl costs 0 real_cost = -29.3858 3D-JIGSAW_RECOM_TS5 costs 0 real_cost = -30.5761 3D-JIGSAW_RECOM_TS4-scwrl costs 0 real_cost = -53.1769 3D-JIGSAW_RECOM_TS4 costs 0 real_cost = -40.2342 3D-JIGSAW_RECOM_TS3-scwrl costs 0 real_cost = -54.9203 3D-JIGSAW_RECOM_TS3 costs 0 real_cost = -39.5796 3D-JIGSAW_RECOM_TS2-scwrl costs 0 real_cost = -17.861 3D-JIGSAW_RECOM_TS2 costs 0 real_cost = -21.1422 3D-JIGSAW_RECOM_TS1-scwrl costs 0 real_cost = -55.1419 3D-JIGSAW_RECOM_TS1 costs 0 real_cost = -40.5997 3D-JIGSAW_POPULUS_TS5-scwrl costs 0 real_cost = -25.9022 3D-JIGSAW_POPULUS_TS5 costs 0 real_cost = -26.0752 3D-JIGSAW_POPULUS_TS4-scwrl costs 0 real_cost = -26.5815 3D-JIGSAW_POPULUS_TS4 costs 0 real_cost = -26.8136 3D-JIGSAW_POPULUS_TS3-scwrl costs 0 real_cost = -26.4179 3D-JIGSAW_POPULUS_TS3 costs 0 real_cost = -26.6059 3D-JIGSAW_POPULUS_TS2-scwrl costs 0 real_cost = -26.5361 3D-JIGSAW_POPULUS_TS2 costs 0 real_cost = -26.7055 3D-JIGSAW_POPULUS_TS1-scwrl costs 0 real_cost = -27.2151 3D-JIGSAW_POPULUS_TS1 costs 0 real_cost = -26.8991 dimer//dimer-try1-2fs2A.unpack costs 0 real_cost = -22.1267 dimer//dimer-try1-2fs2A costs 0 real_cost = -22.1267 dimer//dimer-tr322-2fs2A costs 0 real_cost = -57.3393 dimer//try9-opt2.unpack costs 0 real_cost = -70.6414 dimer//try9-opt2.unpack.gromacs0.repack-nonPC costs 0 real_cost = -66.8226 dimer//try9-opt2.unpack.gromacs0 costs 0 real_cost = -65.0565 dimer//try9-opt2.repack-nonPC costs 0 real_cost = -69.808 dimer//try9-opt2 costs 0 real_cost = -70.6414 dimer//try9-opt1 costs 0 real_cost = -67.5428 dimer//try9-opt1-scwrl costs 0 real_cost = -70.3027 dimer//try8-opt2.unpack costs 0 real_cost = -69.7398 dimer//try8-opt2.unpack.gromacs0.repack-nonPC costs 0 real_cost = -68.1708 dimer//try8-opt2.unpack.gromacs0 costs 0 real_cost = -67.1751 dimer//try8-opt2.repack-nonPC costs 0 real_cost = -69.3973 dimer//try8-opt2 costs 0 real_cost = -69.7398 dimer//try8-opt1 costs 0 real_cost = -65.4531 dimer//try8-opt1-scwrl costs 0 real_cost = -67.4831 dimer//try7-opt2.unpack costs 0 real_cost = -74.4175 dimer//try7-opt2.unpack.gromacs0.repack-nonPC costs 0 real_cost = -70.3191 dimer//try7-opt2.unpack.gromacs0 costs 0 real_cost = -71.5139 dimer//try7-opt2.repack-nonPC costs 0 real_cost = -67.8065 dimer//try7-opt2 costs 0 real_cost = -74.4175 dimer//try7-opt1 costs 0 real_cost = -71.1789 dimer//try7-opt1-scwrl costs 0 real_cost = -70.2486 dimer//try6-opt2.unpack costs 0 real_cost = -76.617 dimer//try6-opt2.unpack.gromacs0.repack-nonPC costs 0 real_cost = -70.3789 dimer//try6-opt2.unpack.gromacs0 costs 0 real_cost = -73.0917 dimer//try6-opt2.repack-nonPC costs 0 real_cost = -73.7154 dimer//try6-opt2 costs 0 real_cost = -76.617 dimer//try6-opt1 costs 0 real_cost = -71.8393 dimer//try6-opt1-scwrl costs 0 real_cost = -71.4773 dimer//try5-opt2.unpack costs 0 real_cost = -74.8831 dimer//try5-opt2.unpack.gromacs0.repack-nonPC costs 0 real_cost = -71.4202 dimer//try5-opt2.unpack.gromacs0 costs 0 real_cost = -72.8184 dimer//try5-opt2.repack-nonPC costs 0 real_cost = -72.1955 dimer//try5-opt2 costs 0 real_cost = -74.8831 dimer//try5-opt1 costs 0 real_cost = -76.3827 dimer//try5-opt1-scwrl costs 0 real_cost = -74.8707 dimer//try4-opt2.unpack costs 0 real_cost = -69.4365 dimer//try4-opt2.unpack.gromacs0.repack-nonPC costs 0 real_cost = -67.8899 dimer//try4-opt2.unpack.gromacs0 costs 0 real_cost = -66.6637 dimer//try4-opt2.repack-nonPC costs 0 real_cost = -69.0972 dimer//try4-opt2 costs 0 real_cost = -69.4365 dimer//try4-opt1 costs 0 real_cost = -65.9323 dimer//try4-opt1-scwrl costs 0 real_cost = -65.9612 dimer//try3-opt2.unpack costs 0 real_cost = -28.5277 dimer//try3-opt2.repack-nonPC costs 0 real_cost = -28.7946 dimer//try3-opt2 costs 0 real_cost = -28.5277 dimer//try3-opt2.gromacs0 costs 0 real_cost = -33.4121 dimer//try3-opt1 costs 0 real_cost = -28.9279 dimer//try3-opt1-scwrl costs 0 real_cost = -28.3053 dimer//try2-opt2.unpack costs 0 real_cost = -28.19 dimer//try2-opt2.repack-nonPC costs 0 real_cost = -29.6854 dimer//try2-opt2 costs 0 real_cost = -28.19 dimer//try2-opt2.gromacs0 costs 0 real_cost = -30.9186 dimer//try2-opt1 costs 0 real_cost = -27.6538 dimer//try2-opt1-scwrl costs 0 real_cost = -28.4075 dimer//try14-opt2.unpack costs 0 real_cost = -72.7355 dimer//try14-opt2.unpack.gromacs0.repack-nonPC costs 0 real_cost = -71.0676 dimer//try14-opt2.unpack.gromacs0 costs 0 real_cost = -75.4839 dimer//try14-opt2.repack-nonPC costs 0 real_cost = -70.831 dimer//try14-opt2 costs 0 real_cost = -72.7355 dimer//try14-opt1 costs 0 real_cost = -71.6197 dimer//try14-opt1-scwrl costs 0 real_cost = -70.2158 dimer//try13-opt2.unpack costs 0 real_cost = -76.9926 dimer//try13-opt2.unpack.gromacs0.repack-nonPC costs 0 real_cost = -73.95 dimer//try13-opt2.unpack.gromacs0 costs 0 real_cost = -75.483 dimer//try13-opt2.repack-nonPC costs 0 real_cost = -77.624 dimer//try13-opt2 costs 0 real_cost = -76.9926 dimer//try13-opt1 costs 0 real_cost = -77.1519 dimer//try13-opt1-scwrl costs 0 real_cost = -79.5621 dimer//try12-opt2.unpack costs 0 real_cost = -75.0829 dimer//try12-opt2.unpack.gromacs0.repack-nonPC costs 0 real_cost = -75.8219 dimer//try12-opt2.unpack.gromacs0 costs 0 real_cost = -74.2353 dimer//try12-opt2.repack-nonPC costs 0 real_cost = -73.9842 dimer//try12-opt2 costs 0 real_cost = -75.0829 dimer//try12-opt1 costs 0 real_cost = -74.4173 dimer//try12-opt1-scwrl costs 0 real_cost = -79.3101 dimer//try11-opt2.unpack costs 0 real_cost = -74.624 dimer//try11-opt2.unpack.gromacs0.repack-nonPC costs 0 real_cost = -72.3535 dimer//try11-opt2.unpack.gromacs0 costs 0 real_cost = -71.8569 dimer//try11-opt2.repack-nonPC costs 0 real_cost = -75.2016 dimer//try11-opt2 costs 0 real_cost = -74.624 dimer//try11-opt1 costs 0 real_cost = -72.8085 dimer//try11-opt1-scwrl costs 0 real_cost = -75.3968 dimer//try10-opt2.unpack costs 0 real_cost = -68.1566 dimer//try10-opt2.unpack.gromacs0.repack-nonPC costs 0 real_cost = -71.6615 dimer//try10-opt2.unpack.gromacs0 costs 0 real_cost = -67.6121 dimer//try10-opt2.repack-nonPC costs 0 real_cost = -70.6871 dimer//try10-opt2 costs 0 real_cost = -68.1566 dimer//try10-opt1 costs 0 real_cost = -72.81 dimer//try10-opt1-scwrl costs 0 real_cost = -72.0687 dimer//try1-opt2.unpack costs 0 real_cost = -29.3417 dimer//try1-opt2.repack-nonPC costs 0 real_cost = -25.8144 dimer//try1-opt2 costs 0 real_cost = -29.3417 dimer//try1-opt2.gromacs0 costs 0 real_cost = -30.7013 dimer//try1-opt1 costs 0 real_cost = -25.6103 dimer//try1-opt1-scwrl costs 0 real_cost = -25.071 tr322.repack-nonPC.pdb.gz costs 0 real_cost = -58.7577 tr322.pdb.gz costs 0 real_cost = -60.0065 tr322.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = -57.3198 tr322.gromacs0.pdb.gz costs 0 real_cost = -57.9143 T0322.try1-opt2.pdb.gz costs 0 real_cost = -22.1241 T0322.try1-opt1.pdb.gz costs 0 real_cost = -23.0976 T0322.try1-opt1-scwrl.pdb.gz costs 0 real_cost = -22.4019 ../refine.model5.ts-submitted costs 0 real_cost = -69.9548 ../refine.model4.ts-submitted costs 0 real_cost = -73.5779 ../refine.model3.ts-submitted costs 0 real_cost = -76.7434 ../refine.model2.ts-submitted costs 0 real_cost = -67.0061 ../refine.model1.ts-submitted costs 0 real_cost = -72.6354 ../model5.ts-submitted costs 0 real_cost = -3.1904 ../model4.ts-submitted costs 0 real_cost = -22.297 ../model3.ts-submitted costs 0 real_cost = -29.3472 ../model2.ts-submitted costs 0 real_cost = -28.0645 ../model1.ts-submitted costs 0 real_cost = -28.5474 align5 costs 0 real_cost = 45.393 align4 costs 0 real_cost = 39.6088 align3 costs 0 real_cost = -45.4283 align2 costs 0 real_cost = -58.9997 align1 costs 0 real_cost = -10.3969 T0322.try1-opt2.pdb costs 0 real_cost = -22.1241 model5-scwrl costs 0 real_cost = 15.8604 model5.ts-submitted costs 0 real_cost = -3.1904 model4-scwrl costs 0 real_cost = -23.5225 model4.ts-submitted costs 0 real_cost = -22.297 model3-scwrl costs 0 real_cost = -29.2768 model3.ts-submitted costs 0 real_cost = -29.3472 model2-scwrl costs 0 real_cost = -29.8702 model2.ts-submitted costs 0 real_cost = -28.0645 model1-scwrl costs 0 real_cost = -29.3272 model1.ts-submitted costs 0 real_cost = -28.5474 2hboA costs 0 real_cost = -868 # command:CPU_time= 562.202 sec, elapsed time= 1280.61 sec) # command:rm -f sort.tmp /projects/compbio/bin/sorttbl real_cost < decoys/evaluate.rdb > sort.tmp mv -f sort.tmp decoys/evaluate.rdb mv -f decoys/evaluate.pretty decoys/evaluate.pretty.old /projects/compbio/experiments/protein-predict/casp7/scripts/prettyscore -terse -targpfx -decpoint < decoys/evaluate.rdb > decoys/evaluate.pretty rm -f decoys/evaluate_1.rdb sed -e s/XXX0000/T0322/ -e s/START_COL/1/ \ -e s/REAL_PDB/2hboA/ \ -e s/_domain/_1/ \ -e s/read-pdb/read-pdb+servers/ \ -e 's/ReadConformPDBids/# ReadConformPDBids/' \ -e 's/# ReadConformPDB /ReadConformPDB /' \ -e 's/include COSTFCN.costfcn//' \ -e s/.COSTFCN// \ < /projects/compbio/experiments/protein-predict/casp7/starter-directory/evaluate.under \ | nice -2 /projects/compbio/programs/undertaker/undertaker # command:# Seed set to 1175295617 # 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= 5.83311 sec, elapsed time= 6.28501 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= 5.9091 sec, elapsed time= 6.39441 sec) # command:# Prefix for input files set to # command:# Making conformation for sequence T0322 numbered 1 through 157 Created new target T0322 from T0322.a2m # command:# command:# No conformations to remove in PopConform # command:# cleared Id set # command:# command:# ReadConformPDB reading from PDB file T0322_1.real.pdb looking for model 1 Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M 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 448, because occupancy 5.0000000e-01 <= existing 0.500 in T0322_1.real.pdb Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 452, because occupancy 0.500 <= existing 0.500 in T0322_1.real.pdb Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 454, because occupancy 0.500 <= existing 0.500 in T0322_1.real.pdb Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 456, because occupancy 0.250 <= existing 0.500 in T0322_1.real.pdb Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 458, because occupancy 0.500 <= existing 0.500 in T0322_1.real.pdb Skipped atom 595, because occupancy 0.500 <= existing 0.500 in T0322_1.real.pdb Skipped atom 599, because occupancy 0.500 <= existing 0.500 in T0322_1.real.pdb Skipped atom 601, because occupancy 0.500 <= existing 0.500 in T0322_1.real.pdb Skipped atom 603, because occupancy 0.500 <= existing 0.500 in T0322_1.real.pdb Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M 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 911, because occupancy 0.500 <= existing 0.500 in T0322_1.real.pdb Skipped atom 915, because occupancy 0.500 <= existing 0.500 in T0322_1.real.pdb Skipped atom 917, because occupancy 0.500 <= existing 0.500 in T0322_1.real.pdb Skipped atom 919, because occupancy 0.500 <= existing 0.500 in T0322_1.real.pdb Skipped atom 921, because occupancy 0.500 <= existing 0.500 in T0322_1.real.pdb Skipped atom 923, because occupancy 0.500 <= existing 0.500 in T0322_1.real.pdb Skipped atom 925, because occupancy 0.500 <= existing 0.500 in T0322_1.real.pdb Skipped atom 927, because occupancy 0.500 <= existing 0.500 in T0322_1.real.pdb # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # command:# Saving current conformation as real # command:# Prefix for output files set to decoys/ # command:# SetRealCost created real_cost = # ( 50 * real_hbond + 50 * real_hbond_u + 50 * decoy_hbond + 50 * decoy_hbond_u + 10 * real_NO_hbond + 10 * real_NO_hbond_u + 10 * decoy_NO_hbond + 10 * decoy_NO_hbond_u + 10 * knot + 200 * clens + 0 * rmsd + 35 * log_rmsd + 0 * rmsd_ca + 30 * log_rmsd_ca + 1 * GDT + 1 * smooth_GDT + 0.2 * missing_atoms ) # command:# SetCost created cost = # ) # command:CPU_time= 8.11777 sec, elapsed time= 8.68599 sec) # command:# Prefix for input files set to # command:# ReadConformPDB reading from PDB file model1.ts-submitted looking for model 1 # choosing archetypes in rotamer library # Found a chain break before 139 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -70.7031 # GDT_score(maxd=8,maxw=2.9)= -74.4236 # GDT_score(maxd=8,maxw=3.2)= -70.629 # GDT_score(maxd=8,maxw=3.5)= -67.014 # GDT_score(maxd=10,maxw=3.8)= -69.7571 # GDT_score(maxd=10,maxw=4)= -67.4959 # GDT_score(maxd=10,maxw=4.2)= -65.2975 # GDT_score(maxd=12,maxw=4.3)= -68.9075 # GDT_score(maxd=12,maxw=4.5)= -66.768 # GDT_score(maxd=12,maxw=4.7)= -64.6739 # GDT_score(maxd=14,maxw=5.2)= -63.3485 # GDT_score(maxd=14,maxw=5.5)= -60.3902 # command:# Prefix for output files set to # command:superimposing iter= 0 total_weight= 1492.000 rmsd (weighted)= 4.720 (unweighted)= 17.045 superimposing iter= 1 total_weight= 4798.276 rmsd (weighted)= 1.784 (unweighted)= 17.364 superimposing iter= 2 total_weight= 1978.801 rmsd (weighted)= 1.227 (unweighted)= 17.460 superimposing iter= 3 total_weight= 1254.335 rmsd (weighted)= 1.070 (unweighted)= 17.524 superimposing iter= 4 total_weight= 1107.127 rmsd (weighted)= 0.997 (unweighted)= 17.564 superimposing iter= 5 total_weight= 1039.605 rmsd (weighted)= 0.961 (unweighted)= 17.586 # command:# Prefix for output files set to decoys/ # command:# request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_382002551.pdb -s /var/tmp/to_scwrl_382002551.seq -o /var/tmp/from_scwrl_382002551.pdb > /var/tmp/scwrl_382002551.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_382002551.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 139 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -70.7031 # GDT_score(maxd=8,maxw=2.9)= -74.4506 # GDT_score(maxd=8,maxw=3.2)= -70.6348 # GDT_score(maxd=8,maxw=3.5)= -66.9657 # GDT_score(maxd=10,maxw=3.8)= -69.7153 # GDT_score(maxd=10,maxw=4)= -67.4315 # GDT_score(maxd=10,maxw=4.2)= -65.2208 # GDT_score(maxd=12,maxw=4.3)= -68.8449 # GDT_score(maxd=12,maxw=4.5)= -66.6957 # GDT_score(maxd=12,maxw=4.7)= -64.601 # GDT_score(maxd=14,maxw=5.2)= -63.2847 # GDT_score(maxd=14,maxw=5.5)= -60.3212 # command:# request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_784446907.pdb -s /var/tmp/to_scwrl_784446907.seq -o /var/tmp/from_scwrl_784446907.pdb > /var/tmp/scwrl_784446907.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_784446907.pdb # conformation set from SCWRL output # command:# naming current conformation model2-scwrl # command:# ReadConformPDB reading from PDB file model3.ts-submitted looking for model 1 # Found a chain break before 146 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -69.3359 # GDT_score(maxd=8,maxw=2.9)= -73.0828 # GDT_score(maxd=8,maxw=3.2)= -69.4307 # GDT_score(maxd=8,maxw=3.5)= -65.9634 # GDT_score(maxd=10,maxw=3.8)= -68.7871 # GDT_score(maxd=10,maxw=4)= -66.578 # GDT_score(maxd=10,maxw=4.2)= -64.3829 # GDT_score(maxd=12,maxw=4.3)= -68.0604 # GDT_score(maxd=12,maxw=4.5)= -65.9193 # GDT_score(maxd=12,maxw=4.7)= -63.8013 # GDT_score(maxd=14,maxw=5.2)= -62.574 # GDT_score(maxd=14,maxw=5.5)= -59.6801 # command:# request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1421441131.pdb -s /var/tmp/to_scwrl_1421441131.seq -o /var/tmp/from_scwrl_1421441131.pdb > /var/tmp/scwrl_1421441131.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1421441131.pdb # conformation set from SCWRL output # command:# naming current conformation model3-scwrl # command:# ReadConformPDB reading from PDB file model4.ts-submitted looking for model 1 # Found a chain break before 139 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -70.7031 # GDT_score(maxd=8,maxw=2.9)= -74.3463 # GDT_score(maxd=8,maxw=3.2)= -70.5471 # GDT_score(maxd=8,maxw=3.5)= -66.9029 # GDT_score(maxd=10,maxw=3.8)= -69.6521 # GDT_score(maxd=10,maxw=4)= -67.3868 # GDT_score(maxd=10,maxw=4.2)= -65.1985 # GDT_score(maxd=12,maxw=4.3)= -68.807 # GDT_score(maxd=12,maxw=4.5)= -66.6756 # GDT_score(maxd=12,maxw=4.7)= -64.5984 # GDT_score(maxd=14,maxw=5.2)= -63.296 # GDT_score(maxd=14,maxw=5.5)= -60.377 # command:# request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1877543493.pdb -s /var/tmp/to_scwrl_1877543493.seq -o /var/tmp/from_scwrl_1877543493.pdb > /var/tmp/scwrl_1877543493.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1877543493.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 T0322 can't currently be optimized by undertaker # command:# fraction of real conformation used = 0.867188 # GDT_score = -68.75 # GDT_score(maxd=8,maxw=2.9)= -71.8291 # GDT_score(maxd=8,maxw=3.2)= -69.2194 # GDT_score(maxd=8,maxw=3.5)= -66.3244 # GDT_score(maxd=10,maxw=3.8)= -68.0818 # GDT_score(maxd=10,maxw=4)= -66.1376 # GDT_score(maxd=10,maxw=4.2)= -64.0902 # GDT_score(maxd=12,maxw=4.3)= -66.9958 # GDT_score(maxd=12,maxw=4.5)= -64.9923 # GDT_score(maxd=12,maxw=4.7)= -62.9563 # GDT_score(maxd=14,maxw=5.2)= -61.2281 # GDT_score(maxd=14,maxw=5.5)= -58.3795 # command:# request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1394879297.pdb -s /var/tmp/to_scwrl_1394879297.seq -o /var/tmp/from_scwrl_1394879297.pdb > /var/tmp/scwrl_1394879297.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1394879297.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 T0322.try1-opt2.pdb looking for model 1 # Found a chain break before 139 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -70.7031 # GDT_score(maxd=8,maxw=2.9)= -74.3322 # GDT_score(maxd=8,maxw=3.2)= -70.5537 # GDT_score(maxd=8,maxw=3.5)= -66.899 # GDT_score(maxd=10,maxw=3.8)= -69.6483 # GDT_score(maxd=10,maxw=4)= -67.3796 # GDT_score(maxd=10,maxw=4.2)= -65.1866 # GDT_score(maxd=12,maxw=4.3)= -68.7997 # GDT_score(maxd=12,maxw=4.5)= -66.6673 # GDT_score(maxd=12,maxw=4.7)= -64.5906 # GDT_score(maxd=14,maxw=5.2)= -63.2833 # GDT_score(maxd=14,maxw=5.5)= -60.3653 # command:# Prefix for output files set to # command:superimposing iter= 0 total_weight= 1492.000 rmsd (weighted)= 4.746 (unweighted)= 16.040 superimposing iter= 1 total_weight= 4793.246 rmsd (weighted)= 1.794 (unweighted)= 16.406 superimposing iter= 2 total_weight= 2004.926 rmsd (weighted)= 1.223 (unweighted)= 16.485 superimposing iter= 3 total_weight= 1273.116 rmsd (weighted)= 1.060 (unweighted)= 16.533 superimposing iter= 4 total_weight= 1113.494 rmsd (weighted)= 0.986 (unweighted)= 16.564 superimposing iter= 5 total_weight= 1038.650 rmsd (weighted)= 0.951 (unweighted)= 16.582 # command:# Prefix for output files set to decoys/ # command:# Prefix for input files set to # command:# ReadConformPDB reading from PDB file T0322.undertaker-align.pdb looking for model 1 WARNING: atoms too close: (T0322)M1.C and (T0322)D4.C only 0.000 apart, marking (T0322)D4.C as missing WARNING: atoms too close: (T0322)S2.N and (T0322)L5.N only 0.000 apart, marking (T0322)S2.N as missing WARNING: atoms too close: (T0322)S2.CA and (T0322)L5.CA only 0.000 apart, marking (T0322)S2.CA as missing WARNING: atoms too close: (T0322)A12.C and (T0322)P14.C only 0.000 apart, marking (T0322)P14.C as missing WARNING: atoms too close: (T0322)I13.N and (T0322)E15.N only 0.000 apart, marking (T0322)I13.N as missing WARNING: atoms too close: (T0322)I13.CA and (T0322)E15.CA only 0.000 apart, marking (T0322)I13.CA as missing WARNING: atoms too close: (T0322)N21.C and (T0322)P32.C only 0.000 apart, marking (T0322)P32.C as missing WARNING: atoms too close: (T0322)W22.N and (T0322)L33.N only 0.000 apart, marking (T0322)W22.N as missing WARNING: atoms too close: (T0322)W22.CA and (T0322)L33.CA only 0.000 apart, marking (T0322)W22.CA as missing WARNING: atoms too close: (T0322)K99.C and (T0322)L100.C only 0.000 apart, marking (T0322)L100.C as missing WARNING: atoms too close: (T0322)L100.N and (T0322)G101.N only 0.000 apart, marking (T0322)L100.N as missing WARNING: atoms too close: (T0322)L100.CA and (T0322)G101.CA only 0.000 apart, marking (T0322)L100.CA as missing # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # command:# naming current conformation align1 # command:# fraction of real conformation used = 0.882812 # GDT_score = -69.7266 # GDT_score(maxd=8,maxw=2.9)= -73.3093 # GDT_score(maxd=8,maxw=3.2)= -70.6289 # GDT_score(maxd=8,maxw=3.5)= -67.6874 # GDT_score(maxd=10,maxw=3.8)= -69.4611 # GDT_score(maxd=10,maxw=4)= -67.4587 # GDT_score(maxd=10,maxw=4.2)= -65.359 # GDT_score(maxd=12,maxw=4.3)= -68.3094 # GDT_score(maxd=12,maxw=4.5)= -66.2551 # GDT_score(maxd=12,maxw=4.7)= -64.17 # GDT_score(maxd=14,maxw=5.2)= -62.4331 # GDT_score(maxd=14,maxw=5.5)= -59.5418 # command:# ReadConformPDB reading from PDB file T0322.undertaker-align.pdb looking for model 2 WARNING: atoms too close: (T0322)G31.C and (T0322)P32.C only 0.000 apart, marking (T0322)P32.C as missing WARNING: atoms too close: (T0322)P32.N and (T0322)L33.N only 0.000 apart, marking (T0322)P32.N as missing WARNING: atoms too close: (T0322)P32.CA and (T0322)L33.CA only 0.000 apart, marking (T0322)P32.CA as missing WARNING: atoms too close: (T0322)Q80.C and (T0322)S82.C only 0.000 apart, marking (T0322)S82.C as missing WARNING: atoms too close: (T0322)K81.N and (T0322)Y83.N only 0.000 apart, marking (T0322)K81.N as missing WARNING: atoms too close: (T0322)K81.CA and (T0322)Y83.CA only 0.000 apart, marking (T0322)K81.CA as missing # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # command:# naming current conformation align2 # command:# fraction of real conformation used = 0.90625 # GDT_score = -71.4844 # GDT_score(maxd=8,maxw=2.9)= -75.6472 # GDT_score(maxd=8,maxw=3.2)= -72.452 # GDT_score(maxd=8,maxw=3.5)= -69.0564 # GDT_score(maxd=10,maxw=3.8)= -71.063 # GDT_score(maxd=10,maxw=4)= -68.9712 # GDT_score(maxd=10,maxw=4.2)= -66.8984 # GDT_score(maxd=12,maxw=4.3)= -69.9337 # GDT_score(maxd=12,maxw=4.5)= -67.9294 # GDT_score(maxd=12,maxw=4.7)= -65.9167 # GDT_score(maxd=14,maxw=5.2)= -64.3 # GDT_score(maxd=14,maxw=5.5)= -61.4683 # command:# ReadConformPDB reading from PDB file T0322.undertaker-align.pdb looking for model 3 WARNING: atoms too close: (T0322)N21.C and (T0322)S23.C only 0.000 apart, marking (T0322)S23.C as missing WARNING: atoms too close: (T0322)W22.N and (T0322)R24.N only 0.000 apart, marking (T0322)W22.N as missing WARNING: atoms too close: (T0322)W22.CA and (T0322)R24.CA only 0.000 apart, marking (T0322)W22.CA as missing WARNING: atoms too close: (T0322)G31.C and (T0322)P32.C only 0.000 apart, marking (T0322)P32.C as missing WARNING: atoms too close: (T0322)P32.N and (T0322)L33.N only 0.000 apart, marking (T0322)P32.N as missing WARNING: atoms too close: (T0322)P32.CA and (T0322)L33.CA only 0.000 apart, marking (T0322)P32.CA as missing WARNING: atoms too close: (T0322)G101.C and (T0322)D102.C only 0.000 apart, marking (T0322)D102.C as missing WARNING: atoms too close: (T0322)D102.N and (T0322)W103.N only 0.000 apart, marking (T0322)D102.N as missing WARNING: atoms too close: (T0322)D102.CA and (T0322)W103.CA only 0.000 apart, marking (T0322)D102.CA as missing # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # command:# naming current conformation align3 # command:# ReadConformPDB reading from PDB file T0322.undertaker-align.pdb looking for model 4 # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # command:# naming current conformation align4 # command:# ReadConformPDB reading from PDB file T0322.undertaker-align.pdb looking for model 5 # WARNING: incomplete conformation T0322 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 139 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model2.ts-submitted looking for model 1 # Found a chain break before 139 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model3.ts-submitted looking for model 1 # Found a chain break before 146 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model4.ts-submitted looking for model 1 # Found a chain break before 139 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model5.ts-submitted looking for model 1 # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # ReadConformPDB reading from PDB file ../refine.model1.ts-submitted looking for model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../refine.model2.ts-submitted looking for model 1 # Found a chain break before 156 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../refine.model3.ts-submitted looking for model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../refine.model4.ts-submitted looking for model 1 # Found a chain break before 156 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../refine.model5.ts-submitted looking for model 1 # Found a chain break before 127 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0322.try1-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 127 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0322.try1-opt1.pdb.gz looking for model 1 # Found a chain break before 127 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0322.try1-opt2.pdb.gz looking for model 1 # Found a chain break before 139 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file tr322.gromacs0.pdb.gz looking for model 1 # Found a chain break before 155 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file tr322.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 155 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file tr322.pdb.gz looking for model 1 # Found a chain break before 155 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file tr322.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 155 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try1-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 138 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try1-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 138 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try1-opt2.gromacs0.pdb.gz looking for chain 'A' model 1 Faking rotamer for incomplete or colinear backbone at (T0322)A157 # Found a chain break before 156 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt2.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try1-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 146 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try1-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 146 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try1-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 146 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try10-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # naming current conformation dimer//try10-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try10-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # naming current conformation dimer//try10-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try10-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # naming current conformation dimer//try10-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try10-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # naming current conformation dimer//try10-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try10-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 156 # copying to AlignedFragments data structure # naming current conformation dimer//try10-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try10-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 156 # copying to AlignedFragments data structure # naming current conformation dimer//try10-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try10-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # naming current conformation dimer//try10-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try11-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # naming current conformation dimer//try11-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try11-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # naming current conformation dimer//try11-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try11-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # naming current conformation dimer//try11-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try11-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # naming current conformation dimer//try11-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try11-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 148 # copying to AlignedFragments data structure # naming current conformation dimer//try11-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try11-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 148 # copying to AlignedFragments data structure # naming current conformation dimer//try11-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try11-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # naming current conformation dimer//try11-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try12-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 148 # copying to AlignedFragments data structure # naming current conformation dimer//try12-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try12-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 148 # copying to AlignedFragments data structure # naming current conformation dimer//try12-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try12-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 148 # copying to AlignedFragments data structure # naming current conformation dimer//try12-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try12-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 148 # copying to AlignedFragments data structure # naming current conformation dimer//try12-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try12-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 156 # copying to AlignedFragments data structure # naming current conformation dimer//try12-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try12-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 156 # copying to AlignedFragments data structure # naming current conformation dimer//try12-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try12-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 148 # copying to AlignedFragments data structure # naming current conformation dimer//try12-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try13-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # naming current conformation dimer//try13-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try13-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # naming current conformation dimer//try13-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try13-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # naming current conformation dimer//try13-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try13-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # naming current conformation dimer//try13-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try13-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 156 # copying to AlignedFragments data structure # naming current conformation dimer//try13-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try13-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 156 # copying to AlignedFragments data structure # naming current conformation dimer//try13-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try13-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # naming current conformation dimer//try13-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try14-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # naming current conformation dimer//try14-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try14-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # naming current conformation dimer//try14-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try14-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # naming current conformation dimer//try14-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try14-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # naming current conformation dimer//try14-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try14-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # naming current conformation dimer//try14-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try14-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # naming current conformation dimer//try14-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try14-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # naming current conformation dimer//try14-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try2-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 139 # copying to AlignedFragments data structure # naming current conformation dimer//try2-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try2-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 139 # copying to AlignedFragments data structure # naming current conformation dimer//try2-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try2-opt2.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 156 # copying to AlignedFragments data structure # naming current conformation dimer//try2-opt2.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try2-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 139 # copying to AlignedFragments data structure # naming current conformation dimer//try2-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try2-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 139 # copying to AlignedFragments data structure # naming current conformation dimer//try2-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try2-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 139 # copying to AlignedFragments data structure # naming current conformation dimer//try2-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try3-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 139 # copying to AlignedFragments data structure # naming current conformation dimer//try3-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try3-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 139 # copying to AlignedFragments data structure # naming current conformation dimer//try3-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try3-opt2.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 156 # copying to AlignedFragments data structure # naming current conformation dimer//try3-opt2.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try3-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 139 # copying to AlignedFragments data structure # naming current conformation dimer//try3-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try3-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 139 # copying to AlignedFragments data structure # naming current conformation dimer//try3-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try3-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 139 # copying to AlignedFragments data structure # naming current conformation dimer//try3-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try4-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 155 # copying to AlignedFragments data structure # naming current conformation dimer//try4-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try4-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 155 # copying to AlignedFragments data structure # naming current conformation dimer//try4-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try4-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 155 # copying to AlignedFragments data structure # naming current conformation dimer//try4-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try4-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 155 # copying to AlignedFragments data structure # naming current conformation dimer//try4-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try4-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 156 # copying to AlignedFragments data structure # naming current conformation dimer//try4-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try4-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 156 # copying to AlignedFragments data structure # naming current conformation dimer//try4-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try4-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 155 # copying to AlignedFragments data structure # naming current conformation dimer//try4-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try5-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 131 # copying to AlignedFragments data structure # naming current conformation dimer//try5-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try5-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 131 # copying to AlignedFragments data structure # naming current conformation dimer//try5-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try5-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 148 # copying to AlignedFragments data structure # naming current conformation dimer//try5-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try5-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 148 # copying to AlignedFragments data structure # naming current conformation dimer//try5-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try5-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # naming current conformation dimer//try5-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try5-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # naming current conformation dimer//try5-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try5-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 148 # copying to AlignedFragments data structure # naming current conformation dimer//try5-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try6-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 148 # copying to AlignedFragments data structure # naming current conformation dimer//try6-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try6-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 148 # copying to AlignedFragments data structure # naming current conformation dimer//try6-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try6-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 148 # copying to AlignedFragments data structure # naming current conformation dimer//try6-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try6-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 148 # copying to AlignedFragments data structure # naming current conformation dimer//try6-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try6-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # naming current conformation dimer//try6-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try6-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # naming current conformation dimer//try6-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try6-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 148 # copying to AlignedFragments data structure # naming current conformation dimer//try6-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try7-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # naming current conformation dimer//try7-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try7-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # naming current conformation dimer//try7-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try7-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # naming current conformation dimer//try7-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try7-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # naming current conformation dimer//try7-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try7-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # naming current conformation dimer//try7-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try7-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # naming current conformation dimer//try7-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try7-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # naming current conformation dimer//try7-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try8-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 127 # copying to AlignedFragments data structure # naming current conformation dimer//try8-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try8-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 127 # copying to AlignedFragments data structure # naming current conformation dimer//try8-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try8-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 127 # copying to AlignedFragments data structure # naming current conformation dimer//try8-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try8-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 127 # copying to AlignedFragments data structure # naming current conformation dimer//try8-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try8-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 156 # copying to AlignedFragments data structure # naming current conformation dimer//try8-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try8-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 156 # copying to AlignedFragments data structure # naming current conformation dimer//try8-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try8-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 127 # copying to AlignedFragments data structure # naming current conformation dimer//try8-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try9-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 156 # copying to AlignedFragments data structure # naming current conformation dimer//try9-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try9-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 156 # copying to AlignedFragments data structure # naming current conformation dimer//try9-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try9-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 156 # copying to AlignedFragments data structure # naming current conformation dimer//try9-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try9-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 156 # copying to AlignedFragments data structure # naming current conformation dimer//try9-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try9-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 156 # copying to AlignedFragments data structure # naming current conformation dimer//try9-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try9-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 156 # copying to AlignedFragments data structure # naming current conformation dimer//try9-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try9-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 156 # copying to AlignedFragments data structure # naming current conformation dimer//try9-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/dimer-tr322-2fs2A.pdb.gz looking for chain 'A' model 1 # Found a chain break before 155 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-tr322-2fs2A # ReadConformPDB reading from PDB file ../dimer/decoys/dimer-try1-2fs2A.pdb.gz looking for chain 'A' model 1 # Found a chain break before 139 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-try1-2fs2A # ReadConformPDB reading from PDB file ../dimer/decoys/dimer-try1-2fs2A.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 139 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-try1-2fs2A.unpack # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_35920058.pdb -s /var/tmp/to_scwrl_35920058.seq -o /var/tmp/from_scwrl_35920058.pdb > /var/tmp/scwrl_35920058.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_35920058.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_POPULUS_TS1-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_730316758.pdb -s /var/tmp/to_scwrl_730316758.seq -o /var/tmp/from_scwrl_730316758.pdb > /var/tmp/scwrl_730316758.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_730316758.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_POPULUS_TS2-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_135589697.pdb -s /var/tmp/to_scwrl_135589697.seq -o /var/tmp/from_scwrl_135589697.pdb > /var/tmp/scwrl_135589697.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_135589697.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_POPULUS_TS3-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_2005719564.pdb -s /var/tmp/to_scwrl_2005719564.seq -o /var/tmp/from_scwrl_2005719564.pdb > /var/tmp/scwrl_2005719564.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2005719564.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_POPULUS_TS4-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_728771289.pdb -s /var/tmp/to_scwrl_728771289.seq -o /var/tmp/from_scwrl_728771289.pdb > /var/tmp/scwrl_728771289.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_728771289.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 T0322 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_948515070.pdb -s /var/tmp/to_scwrl_948515070.seq -o /var/tmp/from_scwrl_948515070.pdb > /var/tmp/scwrl_948515070.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_948515070.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 T0322 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1458141615.pdb -s /var/tmp/to_scwrl_1458141615.seq -o /var/tmp/from_scwrl_1458141615.pdb > /var/tmp/scwrl_1458141615.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1458141615.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 T0322 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1666375483.pdb -s /var/tmp/to_scwrl_1666375483.seq -o /var/tmp/from_scwrl_1666375483.pdb > /var/tmp/scwrl_1666375483.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1666375483.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 T0322 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_912442213.pdb -s /var/tmp/to_scwrl_912442213.seq -o /var/tmp/from_scwrl_912442213.pdb > /var/tmp/scwrl_912442213.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_912442213.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 T0322 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_892953734.pdb -s /var/tmp/to_scwrl_892953734.seq -o /var/tmp/from_scwrl_892953734.pdb > /var/tmp/scwrl_892953734.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_892953734.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 T0322 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1595807673.pdb -s /var/tmp/to_scwrl_1595807673.seq -o /var/tmp/from_scwrl_1595807673.pdb > /var/tmp/scwrl_1595807673.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1595807673.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_TS1-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1612802640.pdb -s /var/tmp/to_scwrl_1612802640.seq -o /var/tmp/from_scwrl_1612802640.pdb > /var/tmp/scwrl_1612802640.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1612802640.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 T0322 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_221466681.pdb -s /var/tmp/to_scwrl_221466681.seq -o /var/tmp/from_scwrl_221466681.pdb > /var/tmp/scwrl_221466681.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_221466681.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 T0322 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1940062037.pdb -s /var/tmp/to_scwrl_1940062037.seq -o /var/tmp/from_scwrl_1940062037.pdb > /var/tmp/scwrl_1940062037.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1940062037.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 T0322 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_894785076.pdb -s /var/tmp/to_scwrl_894785076.seq -o /var/tmp/from_scwrl_894785076.pdb > /var/tmp/scwrl_894785076.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_894785076.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 131 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1578295616.pdb -s /var/tmp/to_scwrl_1578295616.seq -o /var/tmp/from_scwrl_1578295616.pdb > /var/tmp/scwrl_1578295616.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1578295616.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 149 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_988656535.pdb -s /var/tmp/to_scwrl_988656535.seq -o /var/tmp/from_scwrl_988656535.pdb > /var/tmp/scwrl_988656535.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_988656535.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 143 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_105424235.pdb -s /var/tmp/to_scwrl_105424235.seq -o /var/tmp/from_scwrl_105424235.pdb > /var/tmp/scwrl_105424235.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_105424235.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 138 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_419467087.pdb -s /var/tmp/to_scwrl_419467087.seq -o /var/tmp/from_scwrl_419467087.pdb > /var/tmp/scwrl_419467087.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_419467087.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 101 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1520986492.pdb -s /var/tmp/to_scwrl_1520986492.seq -o /var/tmp/from_scwrl_1520986492.pdb > /var/tmp/scwrl_1520986492.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1520986492.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 152 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_481689456.pdb -s /var/tmp/to_scwrl_481689456.seq -o /var/tmp/from_scwrl_481689456.pdb > /var/tmp/scwrl_481689456.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_481689456.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 145 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1516562820.pdb -s /var/tmp/to_scwrl_1516562820.seq -o /var/tmp/from_scwrl_1516562820.pdb > /var/tmp/scwrl_1516562820.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1516562820.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 152 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1692192165.pdb -s /var/tmp/to_scwrl_1692192165.seq -o /var/tmp/from_scwrl_1692192165.pdb > /var/tmp/scwrl_1692192165.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1692192165.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 152 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_829084077.pdb -s /var/tmp/to_scwrl_829084077.seq -o /var/tmp/from_scwrl_829084077.pdb > /var/tmp/scwrl_829084077.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_829084077.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 153 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_791478137.pdb -s /var/tmp/to_scwrl_791478137.seq -o /var/tmp/from_scwrl_791478137.pdb > /var/tmp/scwrl_791478137.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_791478137.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 31 # copying to AlignedFragments data structure # naming current conformation BayesHH_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_439270104.pdb -s /var/tmp/to_scwrl_439270104.seq -o /var/tmp/from_scwrl_439270104.pdb > /var/tmp/scwrl_439270104.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_439270104.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 103 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1211086628.pdb -s /var/tmp/to_scwrl_1211086628.seq -o /var/tmp/from_scwrl_1211086628.pdb > /var/tmp/scwrl_1211086628.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1211086628.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS1-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS1.pdb.gz looking for model 1 # Found a chain break before 156 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1575925044.pdb -s /var/tmp/to_scwrl_1575925044.seq -o /var/tmp/from_scwrl_1575925044.pdb > /var/tmp/scwrl_1575925044.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1575925044.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 T0322 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1860711235.pdb -s /var/tmp/to_scwrl_1860711235.seq -o /var/tmp/from_scwrl_1860711235.pdb > /var/tmp/scwrl_1860711235.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1860711235.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 T0322 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_941146475.pdb -s /var/tmp/to_scwrl_941146475.seq -o /var/tmp/from_scwrl_941146475.pdb > /var/tmp/scwrl_941146475.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_941146475.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 T0322 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_823320695.pdb -s /var/tmp/to_scwrl_823320695.seq -o /var/tmp/from_scwrl_823320695.pdb > /var/tmp/scwrl_823320695.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_823320695.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 T0322 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1896631293.pdb -s /var/tmp/to_scwrl_1896631293.seq -o /var/tmp/from_scwrl_1896631293.pdb > /var/tmp/scwrl_1896631293.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1896631293.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 T0322 can't currently be optimized by undertaker # naming current conformation CPHmodels_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1671463232.pdb -s /var/tmp/to_scwrl_1671463232.seq -o /var/tmp/from_scwrl_1671463232.pdb > /var/tmp/scwrl_1671463232.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1671463232.pdb # conformation set from SCWRL output # naming current conformation CPHmodels_TS1-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_958910392.pdb -s /var/tmp/to_scwrl_958910392.seq -o /var/tmp/from_scwrl_958910392.pdb > /var/tmp/scwrl_958910392.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_958910392.pdb # conformation set from SCWRL output # naming current conformation CaspIta-FOX_TS1-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1754867210.pdb -s /var/tmp/to_scwrl_1754867210.seq -o /var/tmp/from_scwrl_1754867210.pdb > /var/tmp/scwrl_1754867210.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1754867210.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 T0322 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_252750874.pdb -s /var/tmp/to_scwrl_252750874.seq -o /var/tmp/from_scwrl_252750874.pdb > /var/tmp/scwrl_252750874.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_252750874.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 T0322 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1907425462.pdb -s /var/tmp/to_scwrl_1907425462.seq -o /var/tmp/from_scwrl_1907425462.pdb > /var/tmp/scwrl_1907425462.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1907425462.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 T0322 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1065525180.pdb -s /var/tmp/to_scwrl_1065525180.seq -o /var/tmp/from_scwrl_1065525180.pdb > /var/tmp/scwrl_1065525180.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1065525180.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 T0322 can't currently be optimized by undertaker # naming current conformation Distill_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1919126358.pdb -s /var/tmp/to_scwrl_1919126358.seq -o /var/tmp/from_scwrl_1919126358.pdb > /var/tmp/scwrl_1919126358.log Error: Couldn't open file /var/tmp/from_scwrl_1919126358.pdb or /var/tmp/from_scwrl_1919126358.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1919126358_b.pdb or decoys//var/tmp/from_scwrl_1919126358_b.pdb.gz for input Trying /var/tmp/from_scwrl_1919126358_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1919126358_b.pdb or /var/tmp/from_scwrl_1919126358_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1919126358_a.pdb or decoys//var/tmp/from_scwrl_1919126358_a.pdb.gz for input Trying /var/tmp/from_scwrl_1919126358_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1919126358_a.pdb or /var/tmp/from_scwrl_1919126358_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1919126358.pdb or /var/tmp/from_scwrl_1919126358_b.pdb or /var/tmp/from_scwrl_1919126358_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 T0322 can't currently be optimized by undertaker # naming current conformation Distill_TS2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_672384028.pdb -s /var/tmp/to_scwrl_672384028.seq -o /var/tmp/from_scwrl_672384028.pdb > /var/tmp/scwrl_672384028.log Error: Couldn't open file /var/tmp/from_scwrl_672384028.pdb or /var/tmp/from_scwrl_672384028.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_672384028_b.pdb or decoys//var/tmp/from_scwrl_672384028_b.pdb.gz for input Trying /var/tmp/from_scwrl_672384028_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_672384028_b.pdb or /var/tmp/from_scwrl_672384028_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_672384028_a.pdb or decoys//var/tmp/from_scwrl_672384028_a.pdb.gz for input Trying /var/tmp/from_scwrl_672384028_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_672384028_a.pdb or /var/tmp/from_scwrl_672384028_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_672384028.pdb or /var/tmp/from_scwrl_672384028_b.pdb or /var/tmp/from_scwrl_672384028_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 T0322 can't currently be optimized by undertaker # naming current conformation Distill_TS3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1958478913.pdb -s /var/tmp/to_scwrl_1958478913.seq -o /var/tmp/from_scwrl_1958478913.pdb > /var/tmp/scwrl_1958478913.log Error: Couldn't open file /var/tmp/from_scwrl_1958478913.pdb or /var/tmp/from_scwrl_1958478913.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1958478913_b.pdb or decoys//var/tmp/from_scwrl_1958478913_b.pdb.gz for input Trying /var/tmp/from_scwrl_1958478913_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1958478913_b.pdb or /var/tmp/from_scwrl_1958478913_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1958478913_a.pdb or decoys//var/tmp/from_scwrl_1958478913_a.pdb.gz for input Trying /var/tmp/from_scwrl_1958478913_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1958478913_a.pdb or /var/tmp/from_scwrl_1958478913_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1958478913.pdb or /var/tmp/from_scwrl_1958478913_b.pdb or /var/tmp/from_scwrl_1958478913_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 T0322 can't currently be optimized by undertaker # naming current conformation Distill_TS4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1367450384.pdb -s /var/tmp/to_scwrl_1367450384.seq -o /var/tmp/from_scwrl_1367450384.pdb > /var/tmp/scwrl_1367450384.log Error: Couldn't open file /var/tmp/from_scwrl_1367450384.pdb or /var/tmp/from_scwrl_1367450384.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1367450384_b.pdb or decoys//var/tmp/from_scwrl_1367450384_b.pdb.gz for input Trying /var/tmp/from_scwrl_1367450384_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1367450384_b.pdb or /var/tmp/from_scwrl_1367450384_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1367450384_a.pdb or decoys//var/tmp/from_scwrl_1367450384_a.pdb.gz for input Trying /var/tmp/from_scwrl_1367450384_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1367450384_a.pdb or /var/tmp/from_scwrl_1367450384_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1367450384.pdb or /var/tmp/from_scwrl_1367450384_b.pdb or /var/tmp/from_scwrl_1367450384_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 T0322 can't currently be optimized by undertaker # naming current conformation Distill_TS5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_137703021.pdb -s /var/tmp/to_scwrl_137703021.seq -o /var/tmp/from_scwrl_137703021.pdb > /var/tmp/scwrl_137703021.log Error: Couldn't open file /var/tmp/from_scwrl_137703021.pdb or /var/tmp/from_scwrl_137703021.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_137703021_b.pdb or decoys//var/tmp/from_scwrl_137703021_b.pdb.gz for input Trying /var/tmp/from_scwrl_137703021_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_137703021_b.pdb or /var/tmp/from_scwrl_137703021_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_137703021_a.pdb or decoys//var/tmp/from_scwrl_137703021_a.pdb.gz for input Trying /var/tmp/from_scwrl_137703021_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_137703021_a.pdb or /var/tmp/from_scwrl_137703021_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_137703021.pdb or /var/tmp/from_scwrl_137703021_b.pdb or /var/tmp/from_scwrl_137703021_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 153 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_32461947.pdb -s /var/tmp/to_scwrl_32461947.seq -o /var/tmp/from_scwrl_32461947.pdb > /var/tmp/scwrl_32461947.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_32461947.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 T0322 can't currently be optimized by undertaker # naming current conformation FAMSD_TS2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1160028774.pdb -s /var/tmp/to_scwrl_1160028774.seq -o /var/tmp/from_scwrl_1160028774.pdb > /var/tmp/scwrl_1160028774.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1160028774.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 T0322 can't currently be optimized by undertaker # naming current conformation FAMSD_TS3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1032488098.pdb -s /var/tmp/to_scwrl_1032488098.seq -o /var/tmp/from_scwrl_1032488098.pdb > /var/tmp/scwrl_1032488098.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1032488098.pdb # conformation set from SCWRL output # naming current conformation FAMSD_TS3-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # naming current conformation FAMSD_TS4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1610757563.pdb -s /var/tmp/to_scwrl_1610757563.seq -o /var/tmp/from_scwrl_1610757563.pdb > /var/tmp/scwrl_1610757563.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1610757563.pdb # conformation set from SCWRL output # naming current conformation FAMSD_TS4-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # naming current conformation FAMSD_TS5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1201662.pdb -s /var/tmp/to_scwrl_1201662.seq -o /var/tmp/from_scwrl_1201662.pdb > /var/tmp/scwrl_1201662.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1201662.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 155 # copying to AlignedFragments data structure # naming current conformation FAMS_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1137912332.pdb -s /var/tmp/to_scwrl_1137912332.seq -o /var/tmp/from_scwrl_1137912332.pdb > /var/tmp/scwrl_1137912332.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1137912332.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 T0322 can't currently be optimized by undertaker # naming current conformation FAMS_TS2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_2030224650.pdb -s /var/tmp/to_scwrl_2030224650.seq -o /var/tmp/from_scwrl_2030224650.pdb > /var/tmp/scwrl_2030224650.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2030224650.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 T0322 can't currently be optimized by undertaker # naming current conformation FAMS_TS3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1522188154.pdb -s /var/tmp/to_scwrl_1522188154.seq -o /var/tmp/from_scwrl_1522188154.pdb > /var/tmp/scwrl_1522188154.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1522188154.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS3-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # naming current conformation FAMS_TS4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1619601788.pdb -s /var/tmp/to_scwrl_1619601788.seq -o /var/tmp/from_scwrl_1619601788.pdb > /var/tmp/scwrl_1619601788.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1619601788.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 T0322 can't currently be optimized by undertaker # naming current conformation FAMS_TS5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1399303823.pdb -s /var/tmp/to_scwrl_1399303823.seq -o /var/tmp/from_scwrl_1399303823.pdb > /var/tmp/scwrl_1399303823.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1399303823.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 131 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1066896673.pdb -s /var/tmp/to_scwrl_1066896673.seq -o /var/tmp/from_scwrl_1066896673.pdb > /var/tmp/scwrl_1066896673.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1066896673.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 142 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_301202219.pdb -s /var/tmp/to_scwrl_301202219.seq -o /var/tmp/from_scwrl_301202219.pdb > /var/tmp/scwrl_301202219.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_301202219.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 151 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_43298314.pdb -s /var/tmp/to_scwrl_43298314.seq -o /var/tmp/from_scwrl_43298314.pdb > /var/tmp/scwrl_43298314.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_43298314.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 151 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1506166777.pdb -s /var/tmp/to_scwrl_1506166777.seq -o /var/tmp/from_scwrl_1506166777.pdb > /var/tmp/scwrl_1506166777.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1506166777.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 146 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1512288847.pdb -s /var/tmp/to_scwrl_1512288847.seq -o /var/tmp/from_scwrl_1512288847.pdb > /var/tmp/scwrl_1512288847.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1512288847.pdb # conformation set from SCWRL output # naming current conformation FOLDpro_TS5-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL1.pdb.gz looking for model 1 Skipped atom 79, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 96, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 337, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 346, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 391, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 404, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # naming current conformation FORTE1_AL1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1619223358.pdb -s /var/tmp/to_scwrl_1619223358.seq -o /var/tmp/from_scwrl_1619223358.pdb > /var/tmp/scwrl_1619223358.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1619223358.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 Skipped atom 103, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # naming current conformation FORTE1_AL2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1219394365.pdb -s /var/tmp/to_scwrl_1219394365.seq -o /var/tmp/from_scwrl_1219394365.pdb > /var/tmp/scwrl_1219394365.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1219394365.pdb # conformation set from SCWRL output # naming current conformation FORTE1_AL2-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # naming current conformation FORTE1_AL3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_305951675.pdb -s /var/tmp/to_scwrl_305951675.seq -o /var/tmp/from_scwrl_305951675.pdb > /var/tmp/scwrl_305951675.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_305951675.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 T0322 can't currently be optimized by undertaker # naming current conformation FORTE1_AL4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_295060406.pdb -s /var/tmp/to_scwrl_295060406.seq -o /var/tmp/from_scwrl_295060406.pdb > /var/tmp/scwrl_295060406.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_295060406.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 T0322 can't currently be optimized by undertaker # naming current conformation FORTE1_AL5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_968542013.pdb -s /var/tmp/to_scwrl_968542013.seq -o /var/tmp/from_scwrl_968542013.pdb > /var/tmp/scwrl_968542013.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_968542013.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 79, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 96, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 337, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 346, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 391, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 404, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # naming current conformation FORTE2_AL1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1977414907.pdb -s /var/tmp/to_scwrl_1977414907.seq -o /var/tmp/from_scwrl_1977414907.pdb > /var/tmp/scwrl_1977414907.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1977414907.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 Skipped atom 103, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # naming current conformation FORTE2_AL2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1253970797.pdb -s /var/tmp/to_scwrl_1253970797.seq -o /var/tmp/from_scwrl_1253970797.pdb > /var/tmp/scwrl_1253970797.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1253970797.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 T0322 can't currently be optimized by undertaker # naming current conformation FORTE2_AL3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_575925576.pdb -s /var/tmp/to_scwrl_575925576.seq -o /var/tmp/from_scwrl_575925576.pdb > /var/tmp/scwrl_575925576.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_575925576.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 T0322 can't currently be optimized by undertaker # naming current conformation FORTE2_AL4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_82682135.pdb -s /var/tmp/to_scwrl_82682135.seq -o /var/tmp/from_scwrl_82682135.pdb > /var/tmp/scwrl_82682135.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_82682135.pdb # conformation set from SCWRL output # naming current conformation FORTE2_AL4-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # naming current conformation FORTE2_AL5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1013912613.pdb -s /var/tmp/to_scwrl_1013912613.seq -o /var/tmp/from_scwrl_1013912613.pdb > /var/tmp/scwrl_1013912613.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1013912613.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 156 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1641450755.pdb -s /var/tmp/to_scwrl_1641450755.seq -o /var/tmp/from_scwrl_1641450755.pdb > /var/tmp/scwrl_1641450755.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1641450755.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 138 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_2001808493.pdb -s /var/tmp/to_scwrl_2001808493.seq -o /var/tmp/from_scwrl_2001808493.pdb > /var/tmp/scwrl_2001808493.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2001808493.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 153 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1686296641.pdb -s /var/tmp/to_scwrl_1686296641.seq -o /var/tmp/from_scwrl_1686296641.pdb > /var/tmp/scwrl_1686296641.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1686296641.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 151 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1452446021.pdb -s /var/tmp/to_scwrl_1452446021.seq -o /var/tmp/from_scwrl_1452446021.pdb > /var/tmp/scwrl_1452446021.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1452446021.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 156 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1221775230.pdb -s /var/tmp/to_scwrl_1221775230.seq -o /var/tmp/from_scwrl_1221775230.pdb > /var/tmp/scwrl_1221775230.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1221775230.pdb # conformation set from SCWRL output # naming current conformation FPSOLVER-SERVER_TS5-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1823999662.pdb -s /var/tmp/to_scwrl_1823999662.seq -o /var/tmp/from_scwrl_1823999662.pdb > /var/tmp/scwrl_1823999662.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1823999662.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS1-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1484907968.pdb -s /var/tmp/to_scwrl_1484907968.seq -o /var/tmp/from_scwrl_1484907968.pdb > /var/tmp/scwrl_1484907968.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1484907968.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS2-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_234320358.pdb -s /var/tmp/to_scwrl_234320358.seq -o /var/tmp/from_scwrl_234320358.pdb > /var/tmp/scwrl_234320358.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_234320358.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 T0322 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_709004113.pdb -s /var/tmp/to_scwrl_709004113.seq -o /var/tmp/from_scwrl_709004113.pdb > /var/tmp/scwrl_709004113.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_709004113.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 T0322 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_948181885.pdb -s /var/tmp/to_scwrl_948181885.seq -o /var/tmp/from_scwrl_948181885.pdb > /var/tmp/scwrl_948181885.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_948181885.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 T0322 can't currently be optimized by undertaker # naming current conformation FUGUE_AL1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_235522020.pdb -s /var/tmp/to_scwrl_235522020.seq -o /var/tmp/from_scwrl_235522020.pdb > /var/tmp/scwrl_235522020.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_235522020.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 T0322 can't currently be optimized by undertaker # naming current conformation FUGUE_AL2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1846916445.pdb -s /var/tmp/to_scwrl_1846916445.seq -o /var/tmp/from_scwrl_1846916445.pdb > /var/tmp/scwrl_1846916445.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1846916445.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 T0322 can't currently be optimized by undertaker # naming current conformation FUGUE_AL3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_830922888.pdb -s /var/tmp/to_scwrl_830922888.seq -o /var/tmp/from_scwrl_830922888.pdb > /var/tmp/scwrl_830922888.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_830922888.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 T0322 can't currently be optimized by undertaker # naming current conformation FUGUE_AL4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1757710175.pdb -s /var/tmp/to_scwrl_1757710175.seq -o /var/tmp/from_scwrl_1757710175.pdb > /var/tmp/scwrl_1757710175.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1757710175.pdb # conformation set from SCWRL output # naming current conformation FUGUE_AL4-scwrl # ReadConformPDB reading from PDB file servers/FUGUE_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # naming current conformation FUGUE_AL5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1319034587.pdb -s /var/tmp/to_scwrl_1319034587.seq -o /var/tmp/from_scwrl_1319034587.pdb > /var/tmp/scwrl_1319034587.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1319034587.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 155 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_82743065.pdb -s /var/tmp/to_scwrl_82743065.seq -o /var/tmp/from_scwrl_82743065.pdb > /var/tmp/scwrl_82743065.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_82743065.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 156 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_677123201.pdb -s /var/tmp/to_scwrl_677123201.seq -o /var/tmp/from_scwrl_677123201.pdb > /var/tmp/scwrl_677123201.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_677123201.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 154 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1620236806.pdb -s /var/tmp/to_scwrl_1620236806.seq -o /var/tmp/from_scwrl_1620236806.pdb > /var/tmp/scwrl_1620236806.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1620236806.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 156 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_126041379.pdb -s /var/tmp/to_scwrl_126041379.seq -o /var/tmp/from_scwrl_126041379.pdb > /var/tmp/scwrl_126041379.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_126041379.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 148 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_35806331.pdb -s /var/tmp/to_scwrl_35806331.seq -o /var/tmp/from_scwrl_35806331.pdb > /var/tmp/scwrl_35806331.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_35806331.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS5-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_985042007.pdb -s /var/tmp/to_scwrl_985042007.seq -o /var/tmp/from_scwrl_985042007.pdb > /var/tmp/scwrl_985042007.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_985042007.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 # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1745264737.pdb -s /var/tmp/to_scwrl_1745264737.seq -o /var/tmp/from_scwrl_1745264737.pdb > /var/tmp/scwrl_1745264737.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1745264737.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 # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1255200697.pdb -s /var/tmp/to_scwrl_1255200697.seq -o /var/tmp/from_scwrl_1255200697.pdb > /var/tmp/scwrl_1255200697.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1255200697.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 T0322 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1290993681.pdb -s /var/tmp/to_scwrl_1290993681.seq -o /var/tmp/from_scwrl_1290993681.pdb > /var/tmp/scwrl_1290993681.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1290993681.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 T0322 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_2040325143.pdb -s /var/tmp/to_scwrl_2040325143.seq -o /var/tmp/from_scwrl_2040325143.pdb > /var/tmp/scwrl_2040325143.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2040325143.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 104 # copying to AlignedFragments data structure # naming current conformation HHpred1_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_76259063.pdb -s /var/tmp/to_scwrl_76259063.seq -o /var/tmp/from_scwrl_76259063.pdb > /var/tmp/scwrl_76259063.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_76259063.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 103 # copying to AlignedFragments data structure # naming current conformation HHpred2_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1120924941.pdb -s /var/tmp/to_scwrl_1120924941.seq -o /var/tmp/from_scwrl_1120924941.pdb > /var/tmp/scwrl_1120924941.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1120924941.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 103 # copying to AlignedFragments data structure # naming current conformation HHpred3_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1146812293.pdb -s /var/tmp/to_scwrl_1146812293.seq -o /var/tmp/from_scwrl_1146812293.pdb > /var/tmp/scwrl_1146812293.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1146812293.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 T0322 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_652184639.pdb -s /var/tmp/to_scwrl_652184639.seq -o /var/tmp/from_scwrl_652184639.pdb > /var/tmp/scwrl_652184639.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_652184639.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 T0322 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1203607076.pdb -s /var/tmp/to_scwrl_1203607076.seq -o /var/tmp/from_scwrl_1203607076.pdb > /var/tmp/scwrl_1203607076.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1203607076.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 T0322 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_13241260.pdb -s /var/tmp/to_scwrl_13241260.seq -o /var/tmp/from_scwrl_13241260.pdb > /var/tmp/scwrl_13241260.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_13241260.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 T0322 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_146151748.pdb -s /var/tmp/to_scwrl_146151748.seq -o /var/tmp/from_scwrl_146151748.pdb > /var/tmp/scwrl_146151748.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_146151748.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 T0322 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1057931923.pdb -s /var/tmp/to_scwrl_1057931923.seq -o /var/tmp/from_scwrl_1057931923.pdb > /var/tmp/scwrl_1057931923.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1057931923.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 T0322 can't currently be optimized by undertaker # naming current conformation LOOPP_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1699537901.pdb -s /var/tmp/to_scwrl_1699537901.seq -o /var/tmp/from_scwrl_1699537901.pdb > /var/tmp/scwrl_1699537901.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1699537901.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 T0322 can't currently be optimized by undertaker # naming current conformation LOOPP_TS2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1598597769.pdb -s /var/tmp/to_scwrl_1598597769.seq -o /var/tmp/from_scwrl_1598597769.pdb > /var/tmp/scwrl_1598597769.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1598597769.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 T0322 can't currently be optimized by undertaker # naming current conformation LOOPP_TS3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_132223506.pdb -s /var/tmp/to_scwrl_132223506.seq -o /var/tmp/from_scwrl_132223506.pdb > /var/tmp/scwrl_132223506.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_132223506.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 T0322 can't currently be optimized by undertaker # naming current conformation LOOPP_TS4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1376053916.pdb -s /var/tmp/to_scwrl_1376053916.seq -o /var/tmp/from_scwrl_1376053916.pdb > /var/tmp/scwrl_1376053916.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1376053916.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 T0322 can't currently be optimized by undertaker # naming current conformation LOOPP_TS5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_936022092.pdb -s /var/tmp/to_scwrl_936022092.seq -o /var/tmp/from_scwrl_936022092.pdb > /var/tmp/scwrl_936022092.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_936022092.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 T0322 can't currently be optimized by undertaker # naming current conformation MIG_FROST_AL1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_366543864.pdb -s /var/tmp/to_scwrl_366543864.seq -o /var/tmp/from_scwrl_366543864.pdb > /var/tmp/scwrl_366543864.log sh: line 1: 21719 Killed scwrl3 -i /var/tmp/to_scwrl_366543864.pdb -s /var/tmp/to_scwrl_366543864.seq -o /var/tmp/from_scwrl_366543864.pdb >/var/tmp/scwrl_366543864.log Error: Couldn't open file /var/tmp/from_scwrl_366543864.pdb or /var/tmp/from_scwrl_366543864.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_366543864_b.pdb or decoys//var/tmp/from_scwrl_366543864_b.pdb.gz for input Trying /var/tmp/from_scwrl_366543864_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_366543864_b.pdb or /var/tmp/from_scwrl_366543864_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_366543864_a.pdb or decoys//var/tmp/from_scwrl_366543864_a.pdb.gz for input Trying /var/tmp/from_scwrl_366543864_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_366543864_a.pdb or /var/tmp/from_scwrl_366543864_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_366543864.pdb or /var/tmp/from_scwrl_366543864_b.pdb or /var/tmp/from_scwrl_366543864_a.pdb Error: no new SCWRL conformation added # naming current conformation MIG_FROST_AL1-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS1.pdb.gz looking for model 1 # Found a chain break before 140 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_2085058030.pdb -s /var/tmp/to_scwrl_2085058030.seq -o /var/tmp/from_scwrl_2085058030.pdb > /var/tmp/scwrl_2085058030.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2085058030.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server2_TS1-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS2.pdb.gz looking for model 1 # Found a chain break before 76 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1884203976.pdb -s /var/tmp/to_scwrl_1884203976.seq -o /var/tmp/from_scwrl_1884203976.pdb > /var/tmp/scwrl_1884203976.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1884203976.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server2_TS2-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS3.pdb.gz looking for model 1 # Found a chain break before 137 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_602065885.pdb -s /var/tmp/to_scwrl_602065885.seq -o /var/tmp/from_scwrl_602065885.pdb > /var/tmp/scwrl_602065885.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_602065885.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server2_TS3-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS4.pdb.gz looking for model 1 # Found a chain break before 110 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1784490828.pdb -s /var/tmp/to_scwrl_1784490828.seq -o /var/tmp/from_scwrl_1784490828.pdb > /var/tmp/scwrl_1784490828.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1784490828.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server2_TS4-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS5.pdb.gz looking for model 1 # Found a chain break before 143 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_567643218.pdb -s /var/tmp/to_scwrl_567643218.seq -o /var/tmp/from_scwrl_567643218.pdb > /var/tmp/scwrl_567643218.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_567643218.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server2_TS5-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS1.pdb.gz looking for model 1 # Found a chain break before 81 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_212292413.pdb -s /var/tmp/to_scwrl_212292413.seq -o /var/tmp/from_scwrl_212292413.pdb > /var/tmp/scwrl_212292413.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_212292413.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 153 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_956041769.pdb -s /var/tmp/to_scwrl_956041769.seq -o /var/tmp/from_scwrl_956041769.pdb > /var/tmp/scwrl_956041769.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_956041769.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 138 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_650386283.pdb -s /var/tmp/to_scwrl_650386283.seq -o /var/tmp/from_scwrl_650386283.pdb > /var/tmp/scwrl_650386283.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_650386283.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 143 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_889415614.pdb -s /var/tmp/to_scwrl_889415614.seq -o /var/tmp/from_scwrl_889415614.pdb > /var/tmp/scwrl_889415614.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_889415614.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 76 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_428794928.pdb -s /var/tmp/to_scwrl_428794928.seq -o /var/tmp/from_scwrl_428794928.pdb > /var/tmp/scwrl_428794928.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_428794928.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 156 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_776427662.pdb -s /var/tmp/to_scwrl_776427662.seq -o /var/tmp/from_scwrl_776427662.pdb > /var/tmp/scwrl_776427662.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_776427662.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 156 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_925221946.pdb -s /var/tmp/to_scwrl_925221946.seq -o /var/tmp/from_scwrl_925221946.pdb > /var/tmp/scwrl_925221946.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_925221946.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 156 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1413836934.pdb -s /var/tmp/to_scwrl_1413836934.seq -o /var/tmp/from_scwrl_1413836934.pdb > /var/tmp/scwrl_1413836934.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1413836934.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 156 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_374208752.pdb -s /var/tmp/to_scwrl_374208752.seq -o /var/tmp/from_scwrl_374208752.pdb > /var/tmp/scwrl_374208752.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_374208752.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 154 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_32938996.pdb -s /var/tmp/to_scwrl_32938996.seq -o /var/tmp/from_scwrl_32938996.pdb > /var/tmp/scwrl_32938996.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_32938996.pdb # conformation set from SCWRL output # naming current conformation MetaTasser_TS5-scwrl # ReadConformPDB reading from PDB file servers/NN_PUT_lab_TS1.pdb.gz looking for model 1 # Found a chain break before 127 # copying to AlignedFragments data structure # naming current conformation NN_PUT_lab_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_557346969.pdb -s /var/tmp/to_scwrl_557346969.seq -o /var/tmp/from_scwrl_557346969.pdb > /var/tmp/scwrl_557346969.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_557346969.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 142 ; scwrl3 -i /var/tmp/to_scwrl_267050248.pdb -s /var/tmp/to_scwrl_267050248.seq -o /var/tmp/from_scwrl_267050248.pdb > /var/tmp/scwrl_267050248.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_267050248.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 142 ; scwrl3 -i /var/tmp/to_scwrl_109198059.pdb -s /var/tmp/to_scwrl_109198059.seq -o /var/tmp/from_scwrl_109198059.pdb > /var/tmp/scwrl_109198059.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_109198059.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 142 ; scwrl3 -i /var/tmp/to_scwrl_1678271911.pdb -s /var/tmp/to_scwrl_1678271911.seq -o /var/tmp/from_scwrl_1678271911.pdb > /var/tmp/scwrl_1678271911.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1678271911.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 142 ; scwrl3 -i /var/tmp/to_scwrl_1413862541.pdb -s /var/tmp/to_scwrl_1413862541.seq -o /var/tmp/from_scwrl_1413862541.pdb > /var/tmp/scwrl_1413862541.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1413862541.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 142 ; scwrl3 -i /var/tmp/to_scwrl_761382698.pdb -s /var/tmp/to_scwrl_761382698.seq -o /var/tmp/from_scwrl_761382698.pdb > /var/tmp/scwrl_761382698.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_761382698.pdb # conformation set from SCWRL output # naming current conformation PROTINFO-AB_TS5-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS1.pdb.gz looking for model 1 # Found a chain break before 79 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_734395341.pdb -s /var/tmp/to_scwrl_734395341.seq -o /var/tmp/from_scwrl_734395341.pdb > /var/tmp/scwrl_734395341.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_734395341.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS1-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # naming current conformation PROTINFO_TS2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1427103801.pdb -s /var/tmp/to_scwrl_1427103801.seq -o /var/tmp/from_scwrl_1427103801.pdb > /var/tmp/scwrl_1427103801.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1427103801.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS2-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # naming current conformation PROTINFO_TS3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_907534446.pdb -s /var/tmp/to_scwrl_907534446.seq -o /var/tmp/from_scwrl_907534446.pdb > /var/tmp/scwrl_907534446.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_907534446.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 # Found a chain break before 79 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1792327264.pdb -s /var/tmp/to_scwrl_1792327264.seq -o /var/tmp/from_scwrl_1792327264.pdb > /var/tmp/scwrl_1792327264.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1792327264.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS4-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # naming current conformation PROTINFO_TS5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_979158056.pdb -s /var/tmp/to_scwrl_979158056.seq -o /var/tmp/from_scwrl_979158056.pdb > /var/tmp/scwrl_979158056.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_979158056.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 T0322 can't currently be optimized by undertaker # naming current conformation Pcons6_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_358648569.pdb -s /var/tmp/to_scwrl_358648569.seq -o /var/tmp/from_scwrl_358648569.pdb > /var/tmp/scwrl_358648569.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_358648569.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 T0322 can't currently be optimized by undertaker # naming current conformation Pcons6_TS2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1924550770.pdb -s /var/tmp/to_scwrl_1924550770.seq -o /var/tmp/from_scwrl_1924550770.pdb > /var/tmp/scwrl_1924550770.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1924550770.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 T0322 can't currently be optimized by undertaker # naming current conformation Pcons6_TS3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_207728326.pdb -s /var/tmp/to_scwrl_207728326.seq -o /var/tmp/from_scwrl_207728326.pdb > /var/tmp/scwrl_207728326.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_207728326.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 T0322 can't currently be optimized by undertaker # naming current conformation Pcons6_TS4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1294670660.pdb -s /var/tmp/to_scwrl_1294670660.seq -o /var/tmp/from_scwrl_1294670660.pdb > /var/tmp/scwrl_1294670660.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1294670660.pdb # conformation set from SCWRL output # naming current conformation Pcons6_TS4-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # naming current conformation Pcons6_TS5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_143610988.pdb -s /var/tmp/to_scwrl_143610988.seq -o /var/tmp/from_scwrl_143610988.pdb > /var/tmp/scwrl_143610988.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_143610988.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 T0322 can't currently be optimized by undertaker # naming current conformation Phyre-1_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_145302709.pdb -s /var/tmp/to_scwrl_145302709.seq -o /var/tmp/from_scwrl_145302709.pdb > /var/tmp/scwrl_145302709.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_145302709.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 T0322 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 142 ; scwrl3 -i /var/tmp/to_scwrl_1031390990.pdb -s /var/tmp/to_scwrl_1031390990.seq -o /var/tmp/from_scwrl_1031390990.pdb > /var/tmp/scwrl_1031390990.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1031390990.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 T0322 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 142 ; scwrl3 -i /var/tmp/to_scwrl_745676873.pdb -s /var/tmp/to_scwrl_745676873.seq -o /var/tmp/from_scwrl_745676873.pdb > /var/tmp/scwrl_745676873.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_745676873.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS2-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1929793537.pdb -s /var/tmp/to_scwrl_1929793537.seq -o /var/tmp/from_scwrl_1929793537.pdb > /var/tmp/scwrl_1929793537.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1929793537.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS3-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS4.pdb.gz looking for model 1 # Found a chain break before 155 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1599034207.pdb -s /var/tmp/to_scwrl_1599034207.seq -o /var/tmp/from_scwrl_1599034207.pdb > /var/tmp/scwrl_1599034207.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1599034207.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS4-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_957969286.pdb -s /var/tmp/to_scwrl_957969286.seq -o /var/tmp/from_scwrl_957969286.pdb > /var/tmp/scwrl_957969286.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_957969286.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 T0322 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_738351660.pdb -s /var/tmp/to_scwrl_738351660.seq -o /var/tmp/from_scwrl_738351660.pdb > /var/tmp/scwrl_738351660.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_738351660.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 T0322 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_101936843.pdb -s /var/tmp/to_scwrl_101936843.seq -o /var/tmp/from_scwrl_101936843.pdb > /var/tmp/scwrl_101936843.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_101936843.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 T0322 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1847384899.pdb -s /var/tmp/to_scwrl_1847384899.seq -o /var/tmp/from_scwrl_1847384899.pdb > /var/tmp/scwrl_1847384899.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1847384899.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 T0322 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1167146587.pdb -s /var/tmp/to_scwrl_1167146587.seq -o /var/tmp/from_scwrl_1167146587.pdb > /var/tmp/scwrl_1167146587.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1167146587.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 T0322 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_878364505.pdb -s /var/tmp/to_scwrl_878364505.seq -o /var/tmp/from_scwrl_878364505.pdb > /var/tmp/scwrl_878364505.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_878364505.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 81 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_625123198.pdb -s /var/tmp/to_scwrl_625123198.seq -o /var/tmp/from_scwrl_625123198.pdb > /var/tmp/scwrl_625123198.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_625123198.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 127 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_433499876.pdb -s /var/tmp/to_scwrl_433499876.seq -o /var/tmp/from_scwrl_433499876.pdb > /var/tmp/scwrl_433499876.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_433499876.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 140 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1252573256.pdb -s /var/tmp/to_scwrl_1252573256.seq -o /var/tmp/from_scwrl_1252573256.pdb > /var/tmp/scwrl_1252573256.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1252573256.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 123 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_658062194.pdb -s /var/tmp/to_scwrl_658062194.seq -o /var/tmp/from_scwrl_658062194.pdb > /var/tmp/scwrl_658062194.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_658062194.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 104 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_990846845.pdb -s /var/tmp/to_scwrl_990846845.seq -o /var/tmp/from_scwrl_990846845.pdb > /var/tmp/scwrl_990846845.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_990846845.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 151 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1519623504.pdb -s /var/tmp/to_scwrl_1519623504.seq -o /var/tmp/from_scwrl_1519623504.pdb > /var/tmp/scwrl_1519623504.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1519623504.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 147 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_767260253.pdb -s /var/tmp/to_scwrl_767260253.seq -o /var/tmp/from_scwrl_767260253.pdb > /var/tmp/scwrl_767260253.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_767260253.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 152 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_521635109.pdb -s /var/tmp/to_scwrl_521635109.seq -o /var/tmp/from_scwrl_521635109.pdb > /var/tmp/scwrl_521635109.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_521635109.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 152 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_786002400.pdb -s /var/tmp/to_scwrl_786002400.seq -o /var/tmp/from_scwrl_786002400.pdb > /var/tmp/scwrl_786002400.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_786002400.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 151 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1528642951.pdb -s /var/tmp/to_scwrl_1528642951.seq -o /var/tmp/from_scwrl_1528642951.pdb > /var/tmp/scwrl_1528642951.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1528642951.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 32 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1256030450.pdb -s /var/tmp/to_scwrl_1256030450.seq -o /var/tmp/from_scwrl_1256030450.pdb > /var/tmp/scwrl_1256030450.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1256030450.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 138 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_65622554.pdb -s /var/tmp/to_scwrl_65622554.seq -o /var/tmp/from_scwrl_65622554.pdb > /var/tmp/scwrl_65622554.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_65622554.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 111 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_288693750.pdb -s /var/tmp/to_scwrl_288693750.seq -o /var/tmp/from_scwrl_288693750.pdb > /var/tmp/scwrl_288693750.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_288693750.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 111 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_900874068.pdb -s /var/tmp/to_scwrl_900874068.seq -o /var/tmp/from_scwrl_900874068.pdb > /var/tmp/scwrl_900874068.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_900874068.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 125 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1044780611.pdb -s /var/tmp/to_scwrl_1044780611.seq -o /var/tmp/from_scwrl_1044780611.pdb > /var/tmp/scwrl_1044780611.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1044780611.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 146 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_647342319.pdb -s /var/tmp/to_scwrl_647342319.seq -o /var/tmp/from_scwrl_647342319.pdb > /var/tmp/scwrl_647342319.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_647342319.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 156 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_677941191.pdb -s /var/tmp/to_scwrl_677941191.seq -o /var/tmp/from_scwrl_677941191.pdb > /var/tmp/scwrl_677941191.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_677941191.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 89 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1252508936.pdb -s /var/tmp/to_scwrl_1252508936.seq -o /var/tmp/from_scwrl_1252508936.pdb > /var/tmp/scwrl_1252508936.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1252508936.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 151 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1942012979.pdb -s /var/tmp/to_scwrl_1942012979.seq -o /var/tmp/from_scwrl_1942012979.pdb > /var/tmp/scwrl_1942012979.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1942012979.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 125 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_821552179.pdb -s /var/tmp/to_scwrl_821552179.seq -o /var/tmp/from_scwrl_821552179.pdb > /var/tmp/scwrl_821552179.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_821552179.pdb # conformation set from SCWRL output # naming current conformation ROBETTA_TS5-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS1.pdb.gz looking for model 1 # Found a chain break before 146 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1397811645.pdb -s /var/tmp/to_scwrl_1397811645.seq -o /var/tmp/from_scwrl_1397811645.pdb > /var/tmp/scwrl_1397811645.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1397811645.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS1-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS2.pdb.gz looking for model 1 # Found a chain break before 104 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_825920323.pdb -s /var/tmp/to_scwrl_825920323.seq -o /var/tmp/from_scwrl_825920323.pdb > /var/tmp/scwrl_825920323.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_825920323.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS2-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS3.pdb.gz looking for model 1 # Found a chain break before 126 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1567229051.pdb -s /var/tmp/to_scwrl_1567229051.seq -o /var/tmp/from_scwrl_1567229051.pdb > /var/tmp/scwrl_1567229051.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1567229051.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS3-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS4.pdb.gz looking for model 1 # Found a chain break before 110 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1180121535.pdb -s /var/tmp/to_scwrl_1180121535.seq -o /var/tmp/from_scwrl_1180121535.pdb > /var/tmp/scwrl_1180121535.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1180121535.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS4-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS5.pdb.gz looking for model 1 # Found a chain break before 114 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_277470883.pdb -s /var/tmp/to_scwrl_277470883.seq -o /var/tmp/from_scwrl_277470883.pdb > /var/tmp/scwrl_277470883.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_277470883.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS5-scwrl # ReadConformPDB reading from PDB file servers/SAM-T02_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_377714690.pdb -s /var/tmp/to_scwrl_377714690.seq -o /var/tmp/from_scwrl_377714690.pdb > /var/tmp/scwrl_377714690.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_377714690.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 T0322 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1918473195.pdb -s /var/tmp/to_scwrl_1918473195.seq -o /var/tmp/from_scwrl_1918473195.pdb > /var/tmp/scwrl_1918473195.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1918473195.pdb # conformation set from SCWRL output # naming current conformation SAM-T02_AL2-scwrl # ReadConformPDB reading from PDB file servers/SAM-T02_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_379407727.pdb -s /var/tmp/to_scwrl_379407727.seq -o /var/tmp/from_scwrl_379407727.pdb > /var/tmp/scwrl_379407727.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_379407727.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 T0322 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_77615943.pdb -s /var/tmp/to_scwrl_77615943.seq -o /var/tmp/from_scwrl_77615943.pdb > /var/tmp/scwrl_77615943.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_77615943.pdb # conformation set from SCWRL output # naming current conformation SAM-T02_AL4-scwrl # ReadConformPDB reading from PDB file servers/SAM-T02_AL5.pdb.gz looking for model 1 Skipped atom 38, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 40, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 42, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 44, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 74, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 76, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 78, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 80, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 127, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 244, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 356, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 358, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 360, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 362, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 424, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 426, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 428, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 430, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_938136137.pdb -s /var/tmp/to_scwrl_938136137.seq -o /var/tmp/from_scwrl_938136137.pdb > /var/tmp/scwrl_938136137.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_938136137.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 T0322 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1257772231.pdb -s /var/tmp/to_scwrl_1257772231.seq -o /var/tmp/from_scwrl_1257772231.pdb > /var/tmp/scwrl_1257772231.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1257772231.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 T0322 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_702739141.pdb -s /var/tmp/to_scwrl_702739141.seq -o /var/tmp/from_scwrl_702739141.pdb > /var/tmp/scwrl_702739141.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_702739141.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 T0322 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1371636012.pdb -s /var/tmp/to_scwrl_1371636012.seq -o /var/tmp/from_scwrl_1371636012.pdb > /var/tmp/scwrl_1371636012.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1371636012.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 T0322 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_362861842.pdb -s /var/tmp/to_scwrl_362861842.seq -o /var/tmp/from_scwrl_362861842.pdb > /var/tmp/scwrl_362861842.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_362861842.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 Skipped atom 43, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz Skipped atom 91, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz Skipped atom 93, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz Skipped atom 95, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz Skipped atom 97, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz Skipped atom 152, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz Skipped atom 257, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz Skipped atom 322, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz Skipped atom 395, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1360801335.pdb -s /var/tmp/to_scwrl_1360801335.seq -o /var/tmp/from_scwrl_1360801335.pdb > /var/tmp/scwrl_1360801335.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1360801335.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 142 # copying to AlignedFragments data structure # naming current conformation SAM_T06_server_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_214999210.pdb -s /var/tmp/to_scwrl_214999210.seq -o /var/tmp/from_scwrl_214999210.pdb > /var/tmp/scwrl_214999210.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_214999210.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 T0322 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1882485346.pdb -s /var/tmp/to_scwrl_1882485346.seq -o /var/tmp/from_scwrl_1882485346.pdb > /var/tmp/scwrl_1882485346.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1882485346.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 T0322 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_2128061588.pdb -s /var/tmp/to_scwrl_2128061588.seq -o /var/tmp/from_scwrl_2128061588.pdb > /var/tmp/scwrl_2128061588.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2128061588.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 T0322 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_736634320.pdb -s /var/tmp/to_scwrl_736634320.seq -o /var/tmp/from_scwrl_736634320.pdb > /var/tmp/scwrl_736634320.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_736634320.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 T0322 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_521004099.pdb -s /var/tmp/to_scwrl_521004099.seq -o /var/tmp/from_scwrl_521004099.pdb > /var/tmp/scwrl_521004099.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_521004099.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 127 # copying to AlignedFragments data structure # naming current conformation SP3_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1509220892.pdb -s /var/tmp/to_scwrl_1509220892.seq -o /var/tmp/from_scwrl_1509220892.pdb > /var/tmp/scwrl_1509220892.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1509220892.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 114 # copying to AlignedFragments data structure # naming current conformation SP3_TS2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1992664770.pdb -s /var/tmp/to_scwrl_1992664770.seq -o /var/tmp/from_scwrl_1992664770.pdb > /var/tmp/scwrl_1992664770.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1992664770.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 76 # copying to AlignedFragments data structure # naming current conformation SP3_TS3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_586626654.pdb -s /var/tmp/to_scwrl_586626654.seq -o /var/tmp/from_scwrl_586626654.pdb > /var/tmp/scwrl_586626654.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_586626654.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 116 # copying to AlignedFragments data structure # naming current conformation SP3_TS4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1797914643.pdb -s /var/tmp/to_scwrl_1797914643.seq -o /var/tmp/from_scwrl_1797914643.pdb > /var/tmp/scwrl_1797914643.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1797914643.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 121 # copying to AlignedFragments data structure # naming current conformation SP3_TS5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_746055191.pdb -s /var/tmp/to_scwrl_746055191.seq -o /var/tmp/from_scwrl_746055191.pdb > /var/tmp/scwrl_746055191.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_746055191.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 82 # copying to AlignedFragments data structure # naming current conformation SP4_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1631407264.pdb -s /var/tmp/to_scwrl_1631407264.seq -o /var/tmp/from_scwrl_1631407264.pdb > /var/tmp/scwrl_1631407264.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1631407264.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 103 # copying to AlignedFragments data structure # naming current conformation SP4_TS2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_297773315.pdb -s /var/tmp/to_scwrl_297773315.seq -o /var/tmp/from_scwrl_297773315.pdb > /var/tmp/scwrl_297773315.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_297773315.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 114 # copying to AlignedFragments data structure # naming current conformation SP4_TS3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1423996381.pdb -s /var/tmp/to_scwrl_1423996381.seq -o /var/tmp/from_scwrl_1423996381.pdb > /var/tmp/scwrl_1423996381.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1423996381.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 103 # copying to AlignedFragments data structure # naming current conformation SP4_TS4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_736432554.pdb -s /var/tmp/to_scwrl_736432554.seq -o /var/tmp/from_scwrl_736432554.pdb > /var/tmp/scwrl_736432554.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_736432554.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 114 # copying to AlignedFragments data structure # naming current conformation SP4_TS5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_92302648.pdb -s /var/tmp/to_scwrl_92302648.seq -o /var/tmp/from_scwrl_92302648.pdb > /var/tmp/scwrl_92302648.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_92302648.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 127 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_98064914.pdb -s /var/tmp/to_scwrl_98064914.seq -o /var/tmp/from_scwrl_98064914.pdb > /var/tmp/scwrl_98064914.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_98064914.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 116 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_2134244199.pdb -s /var/tmp/to_scwrl_2134244199.seq -o /var/tmp/from_scwrl_2134244199.pdb > /var/tmp/scwrl_2134244199.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2134244199.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 141 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_918222971.pdb -s /var/tmp/to_scwrl_918222971.seq -o /var/tmp/from_scwrl_918222971.pdb > /var/tmp/scwrl_918222971.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_918222971.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 137 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1665293965.pdb -s /var/tmp/to_scwrl_1665293965.seq -o /var/tmp/from_scwrl_1665293965.pdb > /var/tmp/scwrl_1665293965.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1665293965.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 81 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1166882087.pdb -s /var/tmp/to_scwrl_1166882087.seq -o /var/tmp/from_scwrl_1166882087.pdb > /var/tmp/scwrl_1166882087.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1166882087.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 T0322 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1195693853.pdb -s /var/tmp/to_scwrl_1195693853.seq -o /var/tmp/from_scwrl_1195693853.pdb > /var/tmp/scwrl_1195693853.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1195693853.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 T0322 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_2043008656.pdb -s /var/tmp/to_scwrl_2043008656.seq -o /var/tmp/from_scwrl_2043008656.pdb > /var/tmp/scwrl_2043008656.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2043008656.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 T0322 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_937871637.pdb -s /var/tmp/to_scwrl_937871637.seq -o /var/tmp/from_scwrl_937871637.pdb > /var/tmp/scwrl_937871637.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_937871637.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 T0322 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1575101580.pdb -s /var/tmp/to_scwrl_1575101580.seq -o /var/tmp/from_scwrl_1575101580.pdb > /var/tmp/scwrl_1575101580.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1575101580.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 T0322 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_2120624599.pdb -s /var/tmp/to_scwrl_2120624599.seq -o /var/tmp/from_scwrl_2120624599.pdb > /var/tmp/scwrl_2120624599.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2120624599.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: atoms too close: (T0322)D7.CA and (T0322)E15.CA only 0.000 apart, marking (T0322)E15.CA as missing # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # naming current conformation UNI-EID_expm_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1876007773.pdb -s /var/tmp/to_scwrl_1876007773.seq -o /var/tmp/from_scwrl_1876007773.pdb > /var/tmp/scwrl_1876007773.log Error: Couldn't open file /var/tmp/from_scwrl_1876007773.pdb or /var/tmp/from_scwrl_1876007773.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1876007773_b.pdb or decoys//var/tmp/from_scwrl_1876007773_b.pdb.gz for input Trying /var/tmp/from_scwrl_1876007773_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1876007773_b.pdb or /var/tmp/from_scwrl_1876007773_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1876007773_a.pdb or decoys//var/tmp/from_scwrl_1876007773_a.pdb.gz for input Trying /var/tmp/from_scwrl_1876007773_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1876007773_a.pdb or /var/tmp/from_scwrl_1876007773_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1876007773.pdb or /var/tmp/from_scwrl_1876007773_b.pdb or /var/tmp/from_scwrl_1876007773_a.pdb Error: no new SCWRL conformation added # 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 T0322 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_685390166.pdb -s /var/tmp/to_scwrl_685390166.seq -o /var/tmp/from_scwrl_685390166.pdb > /var/tmp/scwrl_685390166.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_685390166.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 T0322 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_675880093.pdb -s /var/tmp/to_scwrl_675880093.seq -o /var/tmp/from_scwrl_675880093.pdb > /var/tmp/scwrl_675880093.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_675880093.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 Skipped atom 38, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 40, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 42, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 44, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 74, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 76, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 78, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 80, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 127, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 244, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 356, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 358, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 360, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 362, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 424, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 426, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 428, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 430, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1100160138.pdb -s /var/tmp/to_scwrl_1100160138.seq -o /var/tmp/from_scwrl_1100160138.pdb > /var/tmp/scwrl_1100160138.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1100160138.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 T0322 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1048252008.pdb -s /var/tmp/to_scwrl_1048252008.seq -o /var/tmp/from_scwrl_1048252008.pdb > /var/tmp/scwrl_1048252008.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1048252008.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_sfst_AL4-scwrl # ReadConformPDB reading from PDB file servers/Zhang-Server_TS1.pdb.gz looking for model 1 # Found a chain break before 153 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_2036681428.pdb -s /var/tmp/to_scwrl_2036681428.seq -o /var/tmp/from_scwrl_2036681428.pdb > /var/tmp/scwrl_2036681428.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2036681428.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 153 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1315159348.pdb -s /var/tmp/to_scwrl_1315159348.seq -o /var/tmp/from_scwrl_1315159348.pdb > /var/tmp/scwrl_1315159348.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1315159348.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 149 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_783253707.pdb -s /var/tmp/to_scwrl_783253707.seq -o /var/tmp/from_scwrl_783253707.pdb > /var/tmp/scwrl_783253707.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_783253707.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 155 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_2017259370.pdb -s /var/tmp/to_scwrl_2017259370.seq -o /var/tmp/from_scwrl_2017259370.pdb > /var/tmp/scwrl_2017259370.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2017259370.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 110 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_2051793668.pdb -s /var/tmp/to_scwrl_2051793668.seq -o /var/tmp/from_scwrl_2051793668.pdb > /var/tmp/scwrl_2051793668.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2051793668.pdb # conformation set from SCWRL output # naming current conformation Zhang-Server_TS5-scwrl # ReadConformPDB reading from PDB file servers/beautshot_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # naming current conformation beautshot_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1304257806.pdb -s /var/tmp/to_scwrl_1304257806.seq -o /var/tmp/from_scwrl_1304257806.pdb > /var/tmp/scwrl_1304257806.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1304257806.pdb # conformation set from SCWRL output # naming current conformation beautshot_TS1-scwrl # ReadConformPDB reading from PDB file servers/beautshotbase_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # naming current conformation beautshotbase_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1378996615.pdb -s /var/tmp/to_scwrl_1378996615.seq -o /var/tmp/from_scwrl_1378996615.pdb > /var/tmp/scwrl_1378996615.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1378996615.pdb # conformation set from SCWRL output # naming current conformation beautshotbase_TS1-scwrl # ReadConformPDB reading from PDB file servers/forecast-s_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # naming current conformation forecast-s_AL1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1896974791.pdb -s /var/tmp/to_scwrl_1896974791.seq -o /var/tmp/from_scwrl_1896974791.pdb > /var/tmp/scwrl_1896974791.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1896974791.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 T0322 can't currently be optimized by undertaker # naming current conformation forecast-s_AL2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1890884460.pdb -s /var/tmp/to_scwrl_1890884460.seq -o /var/tmp/from_scwrl_1890884460.pdb > /var/tmp/scwrl_1890884460.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1890884460.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 T0322 can't currently be optimized by undertaker # naming current conformation forecast-s_AL3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1029427612.pdb -s /var/tmp/to_scwrl_1029427612.seq -o /var/tmp/from_scwrl_1029427612.pdb > /var/tmp/scwrl_1029427612.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1029427612.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 T0322 can't currently be optimized by undertaker # naming current conformation forecast-s_AL4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_495546335.pdb -s /var/tmp/to_scwrl_495546335.seq -o /var/tmp/from_scwrl_495546335.pdb > /var/tmp/scwrl_495546335.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_495546335.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 T0322 can't currently be optimized by undertaker # naming current conformation forecast-s_AL5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1374808077.pdb -s /var/tmp/to_scwrl_1374808077.seq -o /var/tmp/from_scwrl_1374808077.pdb > /var/tmp/scwrl_1374808077.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1374808077.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 T0322 can't currently be optimized by undertaker # naming current conformation gtg_AL1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1327200927.pdb -s /var/tmp/to_scwrl_1327200927.seq -o /var/tmp/from_scwrl_1327200927.pdb > /var/tmp/scwrl_1327200927.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1327200927.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 T0322 can't currently be optimized by undertaker # naming current conformation gtg_AL2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1919542717.pdb -s /var/tmp/to_scwrl_1919542717.seq -o /var/tmp/from_scwrl_1919542717.pdb > /var/tmp/scwrl_1919542717.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1919542717.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 T0322 can't currently be optimized by undertaker # naming current conformation gtg_AL3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_2111240631.pdb -s /var/tmp/to_scwrl_2111240631.seq -o /var/tmp/from_scwrl_2111240631.pdb > /var/tmp/scwrl_2111240631.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2111240631.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 14, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL4.pdb.gz Skipped atom 16, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL4.pdb.gz Skipped atom 18, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL4.pdb.gz Skipped atom 20, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL4.pdb.gz Skipped atom 70, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL4.pdb.gz Skipped atom 72, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL4.pdb.gz Skipped atom 74, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL4.pdb.gz Skipped atom 76, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL4.pdb.gz Skipped atom 106, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL4.pdb.gz Skipped atom 108, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL4.pdb.gz Skipped atom 110, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL4.pdb.gz Skipped atom 112, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL4.pdb.gz Skipped atom 159, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL4.pdb.gz Skipped atom 276, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL4.pdb.gz Skipped atom 388, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL4.pdb.gz Skipped atom 390, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL4.pdb.gz Skipped atom 392, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL4.pdb.gz Skipped atom 394, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL4.pdb.gz Skipped atom 456, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL4.pdb.gz Skipped atom 458, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL4.pdb.gz Skipped atom 460, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL4.pdb.gz Skipped atom 462, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL4.pdb.gz # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # naming current conformation gtg_AL4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1419503575.pdb -s /var/tmp/to_scwrl_1419503575.seq -o /var/tmp/from_scwrl_1419503575.pdb > /var/tmp/scwrl_1419503575.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1419503575.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 T0322 can't currently be optimized by undertaker # naming current conformation gtg_AL5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_2017607631.pdb -s /var/tmp/to_scwrl_2017607631.seq -o /var/tmp/from_scwrl_2017607631.pdb > /var/tmp/scwrl_2017607631.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2017607631.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 153 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_2098001183.pdb -s /var/tmp/to_scwrl_2098001183.seq -o /var/tmp/from_scwrl_2098001183.pdb > /var/tmp/scwrl_2098001183.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2098001183.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 143 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_190242899.pdb -s /var/tmp/to_scwrl_190242899.seq -o /var/tmp/from_scwrl_190242899.pdb > /var/tmp/scwrl_190242899.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_190242899.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 32 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1535417949.pdb -s /var/tmp/to_scwrl_1535417949.seq -o /var/tmp/from_scwrl_1535417949.pdb > /var/tmp/scwrl_1535417949.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1535417949.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 101 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1117399623.pdb -s /var/tmp/to_scwrl_1117399623.seq -o /var/tmp/from_scwrl_1117399623.pdb > /var/tmp/scwrl_1117399623.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1117399623.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 105 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1385936752.pdb -s /var/tmp/to_scwrl_1385936752.seq -o /var/tmp/from_scwrl_1385936752.pdb > /var/tmp/scwrl_1385936752.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1385936752.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: (T0322)A143.O and (T0322)R144.N only 0.000 apart, marking (T0322)R144.N as missing # WARNING: incomplete conformation T0322 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 142 ; scwrl3 -i /var/tmp/to_scwrl_1430942958.pdb -s /var/tmp/to_scwrl_1430942958.seq -o /var/tmp/from_scwrl_1430942958.pdb > /var/tmp/scwrl_1430942958.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1430942958.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 156 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_2055271260.pdb -s /var/tmp/to_scwrl_2055271260.seq -o /var/tmp/from_scwrl_2055271260.pdb > /var/tmp/scwrl_2055271260.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2055271260.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 156 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_813554687.pdb -s /var/tmp/to_scwrl_813554687.seq -o /var/tmp/from_scwrl_813554687.pdb > /var/tmp/scwrl_813554687.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_813554687.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 154 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1404083910.pdb -s /var/tmp/to_scwrl_1404083910.seq -o /var/tmp/from_scwrl_1404083910.pdb > /var/tmp/scwrl_1404083910.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1404083910.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS4-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS5.pdb.gz looking for model 1 # Found a chain break before 156 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1783795386.pdb -s /var/tmp/to_scwrl_1783795386.seq -o /var/tmp/from_scwrl_1783795386.pdb > /var/tmp/scwrl_1783795386.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1783795386.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 T0322 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1498944852.pdb -s /var/tmp/to_scwrl_1498944852.seq -o /var/tmp/from_scwrl_1498944852.pdb > /var/tmp/scwrl_1498944852.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1498944852.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 T0322 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_2079964004.pdb -s /var/tmp/to_scwrl_2079964004.seq -o /var/tmp/from_scwrl_2079964004.pdb > /var/tmp/scwrl_2079964004.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2079964004.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 T0322 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_736471878.pdb -s /var/tmp/to_scwrl_736471878.seq -o /var/tmp/from_scwrl_736471878.pdb > /var/tmp/scwrl_736471878.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_736471878.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 T0322 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_399713213.pdb -s /var/tmp/to_scwrl_399713213.seq -o /var/tmp/from_scwrl_399713213.pdb > /var/tmp/scwrl_399713213.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_399713213.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 T0322 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1969161785.pdb -s /var/tmp/to_scwrl_1969161785.seq -o /var/tmp/from_scwrl_1969161785.pdb > /var/tmp/scwrl_1969161785.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1969161785.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 145 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_2051631227.pdb -s /var/tmp/to_scwrl_2051631227.seq -o /var/tmp/from_scwrl_2051631227.pdb > /var/tmp/scwrl_2051631227.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2051631227.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 145 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1182966919.pdb -s /var/tmp/to_scwrl_1182966919.seq -o /var/tmp/from_scwrl_1182966919.pdb > /var/tmp/scwrl_1182966919.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1182966919.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 147 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1838937508.pdb -s /var/tmp/to_scwrl_1838937508.seq -o /var/tmp/from_scwrl_1838937508.pdb > /var/tmp/scwrl_1838937508.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1838937508.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 142 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1955941248.pdb -s /var/tmp/to_scwrl_1955941248.seq -o /var/tmp/from_scwrl_1955941248.pdb > /var/tmp/scwrl_1955941248.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1955941248.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 138 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_339741079.pdb -s /var/tmp/to_scwrl_339741079.seq -o /var/tmp/from_scwrl_339741079.pdb > /var/tmp/scwrl_339741079.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_339741079.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 T0322 can't currently be optimized by undertaker # naming current conformation mGen-3D_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1070450478.pdb -s /var/tmp/to_scwrl_1070450478.seq -o /var/tmp/from_scwrl_1070450478.pdb > /var/tmp/scwrl_1070450478.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1070450478.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 T0322 can't currently be optimized by undertaker # naming current conformation nFOLD_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1705432393.pdb -s /var/tmp/to_scwrl_1705432393.seq -o /var/tmp/from_scwrl_1705432393.pdb > /var/tmp/scwrl_1705432393.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1705432393.pdb # conformation set from SCWRL output # naming current conformation nFOLD_TS1-scwrl # ReadConformPDB reading from PDB file servers/nFOLD_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # naming current conformation nFOLD_TS2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_83141892.pdb -s /var/tmp/to_scwrl_83141892.seq -o /var/tmp/from_scwrl_83141892.pdb > /var/tmp/scwrl_83141892.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_83141892.pdb # conformation set from SCWRL output # naming current conformation nFOLD_TS2-scwrl # ReadConformPDB reading from PDB file servers/nFOLD_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # naming current conformation nFOLD_TS3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_2099878089.pdb -s /var/tmp/to_scwrl_2099878089.seq -o /var/tmp/from_scwrl_2099878089.pdb > /var/tmp/scwrl_2099878089.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2099878089.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 141 in servers/nFOLD_TS4.pdb.gz # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # naming current conformation nFOLD_TS4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_53495081.pdb -s /var/tmp/to_scwrl_53495081.seq -o /var/tmp/from_scwrl_53495081.pdb > /var/tmp/scwrl_53495081.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_53495081.pdb # conformation set from SCWRL output # naming current conformation nFOLD_TS4-scwrl # ReadConformPDB reading from PDB file servers/nFOLD_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # naming current conformation nFOLD_TS5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1457949969.pdb -s /var/tmp/to_scwrl_1457949969.seq -o /var/tmp/from_scwrl_1457949969.pdb > /var/tmp/scwrl_1457949969.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1457949969.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 T0322 can't currently be optimized by undertaker # naming current conformation panther2_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1279595369.pdb -s /var/tmp/to_scwrl_1279595369.seq -o /var/tmp/from_scwrl_1279595369.pdb > /var/tmp/scwrl_1279595369.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1279595369.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 T0322 can't currently be optimized by undertaker # naming current conformation shub_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1973037798.pdb -s /var/tmp/to_scwrl_1973037798.seq -o /var/tmp/from_scwrl_1973037798.pdb > /var/tmp/scwrl_1973037798.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1973037798.pdb # conformation set from SCWRL output # naming current conformation shub_TS1-scwrl # command:CPU_time= 38.3032 sec, elapsed time= 769.39 sec) # command:# Prefix for output files set to decoys/ # command:# Will now start reporting costs to decoys/evaluate_1.rdb # command:# CostConform Warning: Couldn't open file decoys//projects/compbio/experiments/undertaker/spots/near-backbone-center.spot or decoys//projects/compbio/experiments/undertaker/spots/near-backbone-center.spot.gz for input Trying /projects/compbio/experiments/undertaker/spots/near-backbone-center.spot # Reading spots from /projects/compbio/experiments/undertaker/spots/near-backbone-center.spot shub_TS1-scwrl costs 0 real_cost = -100.461 shub_TS1 costs 0 real_cost = -100.639 panther2_TS1-scwrl costs 0 real_cost = -75.7781 panther2_TS1 costs 0 real_cost = -62.9945 nFOLD_TS5-scwrl costs 0 real_cost = 34.6592 nFOLD_TS5 costs 0 real_cost = 120.305 nFOLD_TS4-scwrl costs 0 real_cost = -58.3766 nFOLD_TS4 costs 0 real_cost = 1.01986 nFOLD_TS3-scwrl costs 0 real_cost = -64.4986 nFOLD_TS3 costs 0 real_cost = -3.34105 nFOLD_TS2-scwrl costs 0 real_cost = -81.5344 nFOLD_TS2 costs 0 real_cost = -25.1418 nFOLD_TS1-scwrl costs 0 real_cost = -61.2089 nFOLD_TS1 costs 0 real_cost = 4.0623 mGen-3D_TS1-scwrl costs 0 real_cost = -76.6376 mGen-3D_TS1 costs 0 real_cost = -18.9709 keasar-server_TS5-scwrl costs 0 real_cost = -58.9667 keasar-server_TS5 costs 0 real_cost = -56.7068 keasar-server_TS4-scwrl costs 0 real_cost = -60.9906 keasar-server_TS4 costs 0 real_cost = -46.6501 keasar-server_TS3-scwrl costs 0 real_cost = -80.1355 keasar-server_TS3 costs 0 real_cost = -64.1397 keasar-server_TS2-scwrl costs 0 real_cost = -95.9684 keasar-server_TS2 costs 0 real_cost = -78.3384 keasar-server_TS1-scwrl costs 0 real_cost = -49.9514 keasar-server_TS1 costs 0 real_cost = -38.4529 karypis.srv_TS5-scwrl costs 0 real_cost = -28.893 karypis.srv_TS5 costs 0 real_cost = -32.588 karypis.srv_TS4-scwrl costs 0 real_cost = -107.433 karypis.srv_TS4 costs 0 real_cost = -108.48 karypis.srv_TS3-scwrl costs 0 real_cost = -92.3457 karypis.srv_TS3 costs 0 real_cost = -94.0265 karypis.srv_TS2-scwrl costs 0 real_cost = -73.2358 karypis.srv_TS2 costs 0 real_cost = -76.5966 karypis.srv_TS1-scwrl costs 0 real_cost = -97.1087 karypis.srv_TS1 costs 0 real_cost = -99.7024 karypis.srv.4_TS5-scwrl costs 0 real_cost = 323.967 karypis.srv.4_TS5 costs 0 real_cost = 323.967 karypis.srv.4_TS4-scwrl costs 0 real_cost = 334.733 karypis.srv.4_TS4 costs 0 real_cost = 334.733 karypis.srv.4_TS3-scwrl costs 0 real_cost = 318.939 karypis.srv.4_TS3 costs 0 real_cost = 318.989 karypis.srv.4_TS2-scwrl costs 0 real_cost = 256.742 karypis.srv.4_TS2 costs 0 real_cost = 256.742 karypis.srv.4_TS1-scwrl costs 0 real_cost = 270.423 karypis.srv.4_TS1 costs 0 real_cost = 270.423 karypis.srv.2_TS5-scwrl costs 0 real_cost = -109.053 karypis.srv.2_TS5 costs 0 real_cost = -109.109 karypis.srv.2_TS4-scwrl costs 0 real_cost = -131.709 karypis.srv.2_TS4 costs 0 real_cost = -131.813 karypis.srv.2_TS3-scwrl costs 0 real_cost = -92.8973 karypis.srv.2_TS3 costs 0 real_cost = -93.4519 karypis.srv.2_TS2-scwrl costs 0 real_cost = -103.124 karypis.srv.2_TS2 costs 0 real_cost = -103.069 karypis.srv.2_TS1-scwrl costs 0 real_cost = -129.183 karypis.srv.2_TS1 costs 0 real_cost = -128.369 gtg_AL5-scwrl costs 0 real_cost = 63.8643 gtg_AL5 costs 0 real_cost = 134.927 gtg_AL4-scwrl costs 0 real_cost = -81.1672 gtg_AL4 costs 0 real_cost = -8.79042 gtg_AL3-scwrl costs 0 real_cost = -69.3225 gtg_AL3 costs 0 real_cost = -5.34947 gtg_AL2-scwrl costs 0 real_cost = -63.1043 gtg_AL2 costs 0 real_cost = 12.979 gtg_AL1-scwrl costs 0 real_cost = -73.4607 gtg_AL1 costs 0 real_cost = 1.57407 forecast-s_AL5-scwrl costs 0 real_cost = 78.8232 forecast-s_AL5 costs 0 real_cost = 120.981 forecast-s_AL4-scwrl costs 0 real_cost = 27.205 forecast-s_AL4 costs 0 real_cost = 104.223 forecast-s_AL3-scwrl costs 0 real_cost = 6.28276 forecast-s_AL3 costs 0 real_cost = 79.4064 forecast-s_AL2-scwrl costs 0 real_cost = -2.69775 forecast-s_AL2 costs 0 real_cost = 71.4525 forecast-s_AL1-scwrl costs 0 real_cost = -2.57982 forecast-s_AL1 costs 0 real_cost = 51.7523 beautshotbase_TS1-scwrl costs 0 real_cost = -56.2029 beautshotbase_TS1 costs 0 real_cost = -53.198 beautshot_TS1-scwrl costs 0 real_cost = -77.9569 beautshot_TS1 costs 0 real_cost = -69.4085 Zhang-Server_TS5-scwrl costs 0 real_cost = -124.797 Zhang-Server_TS5 costs 0 real_cost = -122.187 Zhang-Server_TS4-scwrl costs 0 real_cost = -148.968 Zhang-Server_TS4 costs 0 real_cost = -145.626 Zhang-Server_TS3-scwrl costs 0 real_cost = -134.359 Zhang-Server_TS3 costs 0 real_cost = -134.17 Zhang-Server_TS2-scwrl costs 0 real_cost = -148.522 Zhang-Server_TS2 costs 0 real_cost = -142.936 Zhang-Server_TS1-scwrl costs 0 real_cost = -159.876 Zhang-Server_TS1 costs 0 real_cost = -148.588 UNI-EID_sfst_AL4-scwrl costs 0 real_cost = -39.2211 UNI-EID_sfst_AL4 costs 0 real_cost = 41.1717 UNI-EID_sfst_AL3-scwrl costs 0 real_cost = -87.3187 UNI-EID_sfst_AL3 costs 0 real_cost = -27.5737 UNI-EID_sfst_AL2-scwrl costs 0 real_cost = -3.97306 UNI-EID_sfst_AL2 costs 0 real_cost = 49.6478 UNI-EID_sfst_AL1-scwrl costs 0 real_cost = -78.093 UNI-EID_sfst_AL1 costs 0 real_cost = -8.19319 UNI-EID_expm_TS1-scwrl costs 0 real_cost = 16.9319 UNI-EID_bnmx_TS5-scwrl costs 0 real_cost = -41.9215 UNI-EID_bnmx_TS5 costs 0 real_cost = 40.0207 UNI-EID_bnmx_TS4-scwrl costs 0 real_cost = -39.2824 UNI-EID_bnmx_TS4 costs 0 real_cost = 44.2791 UNI-EID_bnmx_TS3-scwrl costs 0 real_cost = -86.129 UNI-EID_bnmx_TS3 costs 0 real_cost = -15.2593 UNI-EID_bnmx_TS2-scwrl costs 0 real_cost = -3.97306 UNI-EID_bnmx_TS2 costs 0 real_cost = 49.6478 UNI-EID_bnmx_TS1-scwrl costs 0 real_cost = -77.4434 UNI-EID_bnmx_TS1 costs 0 real_cost = -7.8958 SPARKS2_TS5-scwrl costs 0 real_cost = -80.7967 SPARKS2_TS5 costs 0 real_cost = -80.2426 SPARKS2_TS4-scwrl costs 0 real_cost = -70.5 SPARKS2_TS4 costs 0 real_cost = -79.1239 SPARKS2_TS3-scwrl costs 0 real_cost = -95.7487 SPARKS2_TS3 costs 0 real_cost = -84.2365 SPARKS2_TS2-scwrl costs 0 real_cost = -54.3431 SPARKS2_TS2 costs 0 real_cost = -50.476 SPARKS2_TS1-scwrl costs 0 real_cost = -122.048 SPARKS2_TS1 costs 0 real_cost = -115.216 SP4_TS5-scwrl costs 0 real_cost = -24.8397 SP4_TS5 costs 0 real_cost = -26.973 SP4_TS4-scwrl costs 0 real_cost = -27.5817 SP4_TS4 costs 0 real_cost = -21.6477 SP4_TS3-scwrl costs 0 real_cost = -87.1159 SP4_TS3 costs 0 real_cost = -84.0173 SP4_TS2-scwrl costs 0 real_cost = -96.7137 SP4_TS2 costs 0 real_cost = -85.7456 SP4_TS1-scwrl costs 0 real_cost = -127.814 SP4_TS1 costs 0 real_cost = -119.597 SP3_TS5-scwrl costs 0 real_cost = -48.0621 SP3_TS5 costs 0 real_cost = -43.3951 SP3_TS4-scwrl costs 0 real_cost = -54.3431 SP3_TS4 costs 0 real_cost = -50.476 SP3_TS3-scwrl costs 0 real_cost = -64.919 SP3_TS3 costs 0 real_cost = -64.7736 SP3_TS2-scwrl costs 0 real_cost = -95.4816 SP3_TS2 costs 0 real_cost = -84.9306 SP3_TS1-scwrl costs 0 real_cost = -122.048 SP3_TS1 costs 0 real_cost = -115.216 SAM_T06_server_TS5-scwrl costs 0 real_cost = -92.0154 SAM_T06_server_TS5 costs 0 real_cost = -114.352 SAM_T06_server_TS4-scwrl costs 0 real_cost = -73.2244 SAM_T06_server_TS4 costs 0 real_cost = -93.8227 SAM_T06_server_TS3-scwrl costs 0 real_cost = -65.299 SAM_T06_server_TS3 costs 0 real_cost = -102.578 SAM_T06_server_TS2-scwrl costs 0 real_cost = 40.7544 SAM_T06_server_TS2 costs 0 real_cost = 36.349 SAM_T06_server_TS1-scwrl costs 0 real_cost = -84.2232 SAM_T06_server_TS1 costs 0 real_cost = -82.0555 SAM-T99_AL5-scwrl costs 0 real_cost = -77.9724 SAM-T99_AL5 costs 0 real_cost = -4.19895 SAM-T99_AL4-scwrl costs 0 real_cost = -70.2534 SAM-T99_AL4 costs 0 real_cost = 3.31675 SAM-T99_AL3-scwrl costs 0 real_cost = -68.9826 SAM-T99_AL3 costs 0 real_cost = 3.72154 SAM-T99_AL2-scwrl costs 0 real_cost = -20.0074 SAM-T99_AL2 costs 0 real_cost = 43.5281 SAM-T99_AL1-scwrl costs 0 real_cost = 15.1781 SAM-T99_AL1 costs 0 real_cost = 55.2959 SAM-T02_AL5-scwrl costs 0 real_cost = -72.0922 SAM-T02_AL5 costs 0 real_cost = -8.39403 SAM-T02_AL4-scwrl costs 0 real_cost = -71.2657 SAM-T02_AL4 costs 0 real_cost = 3.47423 SAM-T02_AL3-scwrl costs 0 real_cost = -75.8852 SAM-T02_AL3 costs 0 real_cost = -5.86632 SAM-T02_AL2-scwrl costs 0 real_cost = 47.7781 SAM-T02_AL2 costs 0 real_cost = 138.919 SAM-T02_AL1-scwrl costs 0 real_cost = 42.3904 SAM-T02_AL1 costs 0 real_cost = 132.22 ROKKY_TS5-scwrl costs 0 real_cost = -109.541 ROKKY_TS5 costs 0 real_cost = -104.273 ROKKY_TS4-scwrl costs 0 real_cost = -115.13 ROKKY_TS4 costs 0 real_cost = -117.031 ROKKY_TS3-scwrl costs 0 real_cost = -68.4428 ROKKY_TS3 costs 0 real_cost = -56.4004 ROKKY_TS2-scwrl costs 0 real_cost = -64.594 ROKKY_TS2 costs 0 real_cost = -47.2951 ROKKY_TS1-scwrl costs 0 real_cost = -57.8221 ROKKY_TS1 costs 0 real_cost = -46.2882 ROBETTA_TS5-scwrl costs 0 real_cost = -138.523 ROBETTA_TS5 costs 0 real_cost = -136.694 ROBETTA_TS4-scwrl costs 0 real_cost = -50.6991 ROBETTA_TS4 costs 0 real_cost = -54.1083 ROBETTA_TS3-scwrl costs 0 real_cost = -50.636 ROBETTA_TS3 costs 0 real_cost = -54.4961 ROBETTA_TS2-scwrl costs 0 real_cost = -86.9499 ROBETTA_TS2 costs 0 real_cost = -82.326 ROBETTA_TS1-scwrl costs 0 real_cost = -95.8554 ROBETTA_TS1 costs 0 real_cost = -90.082 RAPTOR_TS5-scwrl costs 0 real_cost = -116.432 RAPTOR_TS5 costs 0 real_cost = -111.331 RAPTOR_TS4-scwrl costs 0 real_cost = -113.04 RAPTOR_TS4 costs 0 real_cost = -103.034 RAPTOR_TS3-scwrl costs 0 real_cost = -113.04 RAPTOR_TS3 costs 0 real_cost = -103.034 RAPTOR_TS2-scwrl costs 0 real_cost = -49.2968 RAPTOR_TS2 costs 0 real_cost = -43.3312 RAPTOR_TS1-scwrl costs 0 real_cost = -103.298 RAPTOR_TS1 costs 0 real_cost = -95.8908 RAPTORESS_TS5-scwrl costs 0 real_cost = -87.6867 RAPTORESS_TS5 costs 0 real_cost = -78.9864 RAPTORESS_TS4-scwrl costs 0 real_cost = -91.8901 RAPTORESS_TS4 costs 0 real_cost = -85.3299 RAPTORESS_TS3-scwrl costs 0 real_cost = -91.8901 RAPTORESS_TS3 costs 0 real_cost = -85.3299 RAPTORESS_TS2-scwrl costs 0 real_cost = -39.6908 RAPTORESS_TS2 costs 0 real_cost = -32.6476 RAPTORESS_TS1-scwrl costs 0 real_cost = -73.5338 RAPTORESS_TS1 costs 0 real_cost = -65.6458 RAPTOR-ACE_TS5-scwrl costs 0 real_cost = -96.6569 RAPTOR-ACE_TS5 costs 0 real_cost = -90.5292 RAPTOR-ACE_TS4-scwrl costs 0 real_cost = -91.331 RAPTOR-ACE_TS4 costs 0 real_cost = -84.8314 RAPTOR-ACE_TS3-scwrl costs 0 real_cost = -107.771 RAPTOR-ACE_TS3 costs 0 real_cost = -105.116 RAPTOR-ACE_TS2-scwrl costs 0 real_cost = -122.048 RAPTOR-ACE_TS2 costs 0 real_cost = -115.216 RAPTOR-ACE_TS1-scwrl costs 0 real_cost = -99.1715 RAPTOR-ACE_TS1 costs 0 real_cost = -91.3846 Pmodeller6_TS5-scwrl costs 0 real_cost = -50.1252 Pmodeller6_TS5 costs 0 real_cost = -52.9405 Pmodeller6_TS4-scwrl costs 0 real_cost = -88.7992 Pmodeller6_TS4 costs 0 real_cost = -90.5041 Pmodeller6_TS3-scwrl costs 0 real_cost = -105.868 Pmodeller6_TS3 costs 0 real_cost = -105.277 Pmodeller6_TS2-scwrl costs 0 real_cost = -90.4763 Pmodeller6_TS2 costs 0 real_cost = -95.0961 Pmodeller6_TS1-scwrl costs 0 real_cost = -90.8511 Pmodeller6_TS1 costs 0 real_cost = -93.3738 Phyre-2_TS5-scwrl costs 0 real_cost = -123.144 Phyre-2_TS5 costs 0 real_cost = -116.098 Phyre-2_TS4-scwrl costs 0 real_cost = -105.774 Phyre-2_TS4 costs 0 real_cost = -105.053 Phyre-2_TS3-scwrl costs 0 real_cost = -134.958 Phyre-2_TS3 costs 0 real_cost = -128.959 Phyre-2_TS2-scwrl costs 0 real_cost = -134.678 Phyre-2_TS2 costs 0 real_cost = -128.661 Phyre-2_TS1-scwrl costs 0 real_cost = -107.106 Phyre-2_TS1 costs 0 real_cost = -102.711 Phyre-1_TS1-scwrl costs 0 real_cost = -52.73 Phyre-1_TS1 costs 0 real_cost = -60.4993 Pcons6_TS5-scwrl costs 0 real_cost = -84.883 Pcons6_TS5 costs 0 real_cost = -86.4425 Pcons6_TS4-scwrl costs 0 real_cost = -81.4844 Pcons6_TS4 costs 0 real_cost = -82.8468 Pcons6_TS3-scwrl costs 0 real_cost = -69.3846 Pcons6_TS3 costs 0 real_cost = -72.9748 Pcons6_TS2-scwrl costs 0 real_cost = -84.9444 Pcons6_TS2 costs 0 real_cost = -87.326 Pcons6_TS1-scwrl costs 0 real_cost = -90.4763 Pcons6_TS1 costs 0 real_cost = -95.0961 PROTINFO_TS5-scwrl costs 0 real_cost = -66.4689 PROTINFO_TS5 costs 0 real_cost = -69.8076 PROTINFO_TS4-scwrl costs 0 real_cost = -99.1403 PROTINFO_TS4 costs 0 real_cost = -94.5839 PROTINFO_TS3-scwrl costs 0 real_cost = -76.4463 PROTINFO_TS3 costs 0 real_cost = -79.392 PROTINFO_TS2-scwrl costs 0 real_cost = -79.1112 PROTINFO_TS2 costs 0 real_cost = -82.5504 PROTINFO_TS1-scwrl costs 0 real_cost = -104.598 PROTINFO_TS1 costs 0 real_cost = -100 PROTINFO-AB_TS5-scwrl costs 0 real_cost = -96.929 PROTINFO-AB_TS5 costs 0 real_cost = -94.5784 PROTINFO-AB_TS4-scwrl costs 0 real_cost = -95.9942 PROTINFO-AB_TS4 costs 0 real_cost = -94.4636 PROTINFO-AB_TS3-scwrl costs 0 real_cost = -87.47 PROTINFO-AB_TS3 costs 0 real_cost = -85.4515 PROTINFO-AB_TS2-scwrl costs 0 real_cost = -91.6242 PROTINFO-AB_TS2 costs 0 real_cost = -86.8735 PROTINFO-AB_TS1-scwrl costs 0 real_cost = -96.1755 PROTINFO-AB_TS1 costs 0 real_cost = -89.7444 NN_PUT_lab_TS1-scwrl costs 0 real_cost = -122.048 NN_PUT_lab_TS1 costs 0 real_cost = -115.216 MetaTasser_TS5-scwrl costs 0 real_cost = -65.7582 MetaTasser_TS5 costs 0 real_cost = -69.936 MetaTasser_TS4-scwrl costs 0 real_cost = -88.9462 MetaTasser_TS4 costs 0 real_cost = -83.9405 MetaTasser_TS3-scwrl costs 0 real_cost = -102.286 MetaTasser_TS3 costs 0 real_cost = -90.7451 MetaTasser_TS2-scwrl costs 0 real_cost = -85.7894 MetaTasser_TS2 costs 0 real_cost = -87.9431 MetaTasser_TS1-scwrl costs 0 real_cost = -62.1738 MetaTasser_TS1 costs 0 real_cost = -58.0254 Ma-OPUS-server_TS5-scwrl costs 0 real_cost = -126.062 Ma-OPUS-server_TS5 costs 0 real_cost = -107.787 Ma-OPUS-server_TS4-scwrl costs 0 real_cost = -99.8734 Ma-OPUS-server_TS4 costs 0 real_cost = -90.2812 Ma-OPUS-server_TS3-scwrl costs 0 real_cost = -130.969 Ma-OPUS-server_TS3 costs 0 real_cost = -127.709 Ma-OPUS-server_TS2-scwrl costs 0 real_cost = -131.589 Ma-OPUS-server_TS2 costs 0 real_cost = -122.908 Ma-OPUS-server_TS1-scwrl costs 0 real_cost = -83.276 Ma-OPUS-server_TS1 costs 0 real_cost = -82.6099 Ma-OPUS-server2_TS5-scwrl costs 0 real_cost = -99.8734 Ma-OPUS-server2_TS5 costs 0 real_cost = -90.2812 Ma-OPUS-server2_TS4-scwrl costs 0 real_cost = -100.976 Ma-OPUS-server2_TS4 costs 0 real_cost = -94.0346 Ma-OPUS-server2_TS3-scwrl costs 0 real_cost = -111.301 Ma-OPUS-server2_TS3 costs 0 real_cost = -97.993 Ma-OPUS-server2_TS2-scwrl costs 0 real_cost = -105.94 Ma-OPUS-server2_TS2 costs 0 real_cost = -99.8889 Ma-OPUS-server2_TS1-scwrl costs 0 real_cost = -38.1944 Ma-OPUS-server2_TS1 costs 0 real_cost = -26.5471 MIG_FROST_AL1-scwrl costs 0 real_cost = 331.663 LOOPP_TS5-scwrl costs 0 real_cost = -37.9051 LOOPP_TS5 costs 0 real_cost = -37.593 LOOPP_TS4-scwrl costs 0 real_cost = -34.6515 LOOPP_TS4 costs 0 real_cost = -29.8864 LOOPP_TS3-scwrl costs 0 real_cost = 19.7574 LOOPP_TS3 costs 0 real_cost = 24.2736 LOOPP_TS2-scwrl costs 0 real_cost = -73.7448 LOOPP_TS2 costs 0 real_cost = -71.6955 LOOPP_TS1-scwrl costs 0 real_cost = -51.701 LOOPP_TS1 costs 0 real_cost = -50.3303 Huber-Torda-Server_TS5-scwrl costs 0 real_cost = 399.83 Huber-Torda-Server_TS5 costs 0 real_cost = 456.979 Huber-Torda-Server_TS4-scwrl costs 0 real_cost = 383.998 Huber-Torda-Server_TS4 costs 0 real_cost = 413.247 Huber-Torda-Server_TS3-scwrl costs 0 real_cost = -45.8368 Huber-Torda-Server_TS3 costs 0 real_cost = 8.1751 Huber-Torda-Server_TS2-scwrl costs 0 real_cost = 99.082 Huber-Torda-Server_TS2 costs 0 real_cost = 157.124 Huber-Torda-Server_TS1-scwrl costs 0 real_cost = -5.24155 Huber-Torda-Server_TS1 costs 0 real_cost = 59.3667 HHpred3_TS1-scwrl costs 0 real_cost = -131.869 HHpred3_TS1 costs 0 real_cost = -125.151 HHpred2_TS1-scwrl costs 0 real_cost = -131.869 HHpred2_TS1 costs 0 real_cost = -125.151 HHpred1_TS1-scwrl costs 0 real_cost = -131.375 HHpred1_TS1 costs 0 real_cost = -125.314 GeneSilicoMetaServer_TS5-scwrl costs 0 real_cost = -83.0057 GeneSilicoMetaServer_TS5 costs 0 real_cost = -78.3574 GeneSilicoMetaServer_TS4-scwrl costs 0 real_cost = -69.9093 GeneSilicoMetaServer_TS4 costs 0 real_cost = -58.684 GeneSilicoMetaServer_TS3-scwrl costs 0 real_cost = -83.4388 GeneSilicoMetaServer_TS3 costs 0 real_cost = -79.971 GeneSilicoMetaServer_TS2-scwrl costs 0 real_cost = -78.38 GeneSilicoMetaServer_TS2 costs 0 real_cost = -70.8415 GeneSilicoMetaServer_TS1-scwrl costs 0 real_cost = -65.268 GeneSilicoMetaServer_TS1 costs 0 real_cost = -69.1689 FUNCTION_TS5-scwrl costs 0 real_cost = -87.2783 FUNCTION_TS5 costs 0 real_cost = -78.9845 FUNCTION_TS4-scwrl costs 0 real_cost = -109.129 FUNCTION_TS4 costs 0 real_cost = -95.4248 FUNCTION_TS3-scwrl costs 0 real_cost = -98.8393 FUNCTION_TS3 costs 0 real_cost = -95.1375 FUNCTION_TS2-scwrl costs 0 real_cost = -116.7 FUNCTION_TS2 costs 0 real_cost = -99.8849 FUNCTION_TS1-scwrl costs 0 real_cost = -112.202 FUNCTION_TS1 costs 0 real_cost = -109.623 FUGUE_AL5-scwrl costs 0 real_cost = 10.9948 FUGUE_AL5 costs 0 real_cost = 92.9179 FUGUE_AL4-scwrl costs 0 real_cost = 70.5389 FUGUE_AL4 costs 0 real_cost = 163.874 FUGUE_AL3-scwrl costs 0 real_cost = -20.8833 FUGUE_AL3 costs 0 real_cost = 54.7663 FUGUE_AL2-scwrl costs 0 real_cost = 17.455 FUGUE_AL2 costs 0 real_cost = 100.31 FUGUE_AL1-scwrl costs 0 real_cost = -8.25664 FUGUE_AL1 costs 0 real_cost = 69.9908 FUGMOD_TS5-scwrl costs 0 real_cost = -6.15159 FUGMOD_TS5 costs 0 real_cost = 0.357716 FUGMOD_TS4-scwrl costs 0 real_cost = 110.822 FUGMOD_TS4 costs 0 real_cost = 111.747 FUGMOD_TS3-scwrl costs 0 real_cost = -23.879 FUGMOD_TS3 costs 0 real_cost = -0.239959 FUGMOD_TS2-scwrl costs 0 real_cost = 17.0851 FUGMOD_TS2 costs 0 real_cost = 27.6542 FUGMOD_TS1-scwrl costs 0 real_cost = -39.5039 FUGMOD_TS1 costs 0 real_cost = -35.3141 FPSOLVER-SERVER_TS5-scwrl costs 0 real_cost = 303.895 FPSOLVER-SERVER_TS5 costs 0 real_cost = 307.247 FPSOLVER-SERVER_TS4-scwrl costs 0 real_cost = 309.369 FPSOLVER-SERVER_TS4 costs 0 real_cost = 311.543 FPSOLVER-SERVER_TS3-scwrl costs 0 real_cost = 329.862 FPSOLVER-SERVER_TS3 costs 0 real_cost = 329.742 FPSOLVER-SERVER_TS2-scwrl costs 0 real_cost = 344.6 FPSOLVER-SERVER_TS2 costs 0 real_cost = 344.621 FPSOLVER-SERVER_TS1-scwrl costs 0 real_cost = 306.215 FPSOLVER-SERVER_TS1 costs 0 real_cost = 305.597 FORTE2_AL5-scwrl costs 0 real_cost = -30.9449 FORTE2_AL5 costs 0 real_cost = 51.4161 FORTE2_AL4-scwrl costs 0 real_cost = -26.5439 FORTE2_AL4 costs 0 real_cost = 56.3321 FORTE2_AL3-scwrl costs 0 real_cost = 53.8194 FORTE2_AL3 costs 0 real_cost = 144.982 FORTE2_AL2-scwrl costs 0 real_cost = 26.3438 FORTE2_AL2 costs 0 real_cost = 114.905 FORTE2_AL1-scwrl costs 0 real_cost = -30.3925 FORTE2_AL1 costs 0 real_cost = 55.9773 FORTE1_AL5-scwrl costs 0 real_cost = -30.9449 FORTE1_AL5 costs 0 real_cost = 51.4161 FORTE1_AL4-scwrl costs 0 real_cost = -26.5439 FORTE1_AL4 costs 0 real_cost = 56.3321 FORTE1_AL3-scwrl costs 0 real_cost = 53.8194 FORTE1_AL3 costs 0 real_cost = 144.982 FORTE1_AL2-scwrl costs 0 real_cost = 26.3438 FORTE1_AL2 costs 0 real_cost = 114.905 FORTE1_AL1-scwrl costs 0 real_cost = -30.3925 FORTE1_AL1 costs 0 real_cost = 55.9773 FOLDpro_TS5-scwrl costs 0 real_cost = 2.63011 FOLDpro_TS5 costs 0 real_cost = 9.78168 FOLDpro_TS4-scwrl costs 0 real_cost = 78.8391 FOLDpro_TS4 costs 0 real_cost = 76.9119 FOLDpro_TS3-scwrl costs 0 real_cost = 35.4898 FOLDpro_TS3 costs 0 real_cost = 48.8831 FOLDpro_TS2-scwrl costs 0 real_cost = -133.794 FOLDpro_TS2 costs 0 real_cost = -129.978 FOLDpro_TS1-scwrl costs 0 real_cost = -123.37 FOLDpro_TS1 costs 0 real_cost = -118.591 FAMS_TS5-scwrl costs 0 real_cost = -72.7216 FAMS_TS5 costs 0 real_cost = -78.9164 FAMS_TS4-scwrl costs 0 real_cost = -62.3571 FAMS_TS4 costs 0 real_cost = -70.036 FAMS_TS3-scwrl costs 0 real_cost = -58.0335 FAMS_TS3 costs 0 real_cost = -65.2956 FAMS_TS2-scwrl costs 0 real_cost = -19.3026 FAMS_TS2 costs 0 real_cost = -29.5832 FAMS_TS1-scwrl costs 0 real_cost = -113.798 FAMS_TS1 costs 0 real_cost = -117.465 FAMSD_TS5-scwrl costs 0 real_cost = -60.1748 FAMSD_TS5 costs 0 real_cost = -63.4605 FAMSD_TS4-scwrl costs 0 real_cost = -81.0013 FAMSD_TS4 costs 0 real_cost = -79.6439 FAMSD_TS3-scwrl costs 0 real_cost = -53.2401 FAMSD_TS3 costs 0 real_cost = -53.0573 FAMSD_TS2-scwrl costs 0 real_cost = -77.4658 FAMSD_TS2 costs 0 real_cost = -76.6059 FAMSD_TS1-scwrl costs 0 real_cost = -118.054 FAMSD_TS1 costs 0 real_cost = -98.9729 Distill_TS5-scwrl costs 0 real_cost = 285.359 Distill_TS4-scwrl costs 0 real_cost = 295.469 Distill_TS3-scwrl costs 0 real_cost = 288.222 Distill_TS2-scwrl costs 0 real_cost = 286.06 Distill_TS1-scwrl costs 0 real_cost = 286.86 CaspIta-FOX_TS5-scwrl costs 0 real_cost = -36.67 CaspIta-FOX_TS5 costs 0 real_cost = -37.8296 CaspIta-FOX_TS4-scwrl costs 0 real_cost = -1.37386 CaspIta-FOX_TS4 costs 0 real_cost = -9.33931 CaspIta-FOX_TS3-scwrl costs 0 real_cost = -53.6484 CaspIta-FOX_TS3 costs 0 real_cost = -56.4262 CaspIta-FOX_TS2-scwrl costs 0 real_cost = -80.6355 CaspIta-FOX_TS2 costs 0 real_cost = -83.8874 CaspIta-FOX_TS1-scwrl costs 0 real_cost = -69.6185 CaspIta-FOX_TS1 costs 0 real_cost = -74.902 CPHmodels_TS1-scwrl costs 0 real_cost = 109.692 CPHmodels_TS1 costs 0 real_cost = 106.45 CIRCLE_TS5-scwrl costs 0 real_cost = -62.3571 CIRCLE_TS5 costs 0 real_cost = -70.036 CIRCLE_TS4-scwrl costs 0 real_cost = -58.0335 CIRCLE_TS4 costs 0 real_cost = -65.2956 CIRCLE_TS3-scwrl costs 0 real_cost = -72.7216 CIRCLE_TS3 costs 0 real_cost = -78.9164 CIRCLE_TS2-scwrl costs 0 real_cost = -19.3026 CIRCLE_TS2 costs 0 real_cost = -29.5832 CIRCLE_TS1-scwrl costs 0 real_cost = -47.5681 CIRCLE_TS1 costs 0 real_cost = -51.9388 Bilab-ENABLE_TS1-scwrl costs 0 real_cost = -57.2859 Bilab-ENABLE_TS1 costs 0 real_cost = -57.0576 BayesHH_TS1-scwrl costs 0 real_cost = -125.685 BayesHH_TS1 costs 0 real_cost = -114.232 ABIpro_TS5-scwrl costs 0 real_cost = 264.549 ABIpro_TS5 costs 0 real_cost = 265.652 ABIpro_TS4-scwrl costs 0 real_cost = 239.641 ABIpro_TS4 costs 0 real_cost = 239.568 ABIpro_TS3-scwrl costs 0 real_cost = 237.234 ABIpro_TS3 costs 0 real_cost = 237.256 ABIpro_TS2-scwrl costs 0 real_cost = 195.892 ABIpro_TS2 costs 0 real_cost = 195.892 ABIpro_TS1-scwrl costs 0 real_cost = 221.602 ABIpro_TS1 costs 0 real_cost = 222.296 3Dpro_TS5-scwrl costs 0 real_cost = 104.815 3Dpro_TS5 costs 0 real_cost = 109.274 3Dpro_TS4-scwrl costs 0 real_cost = 148.887 3Dpro_TS4 costs 0 real_cost = 148.439 3Dpro_TS3-scwrl costs 0 real_cost = 48.3751 3Dpro_TS3 costs 0 real_cost = 65.9552 3Dpro_TS2-scwrl costs 0 real_cost = -93.2873 3Dpro_TS2 costs 0 real_cost = -88.1969 3Dpro_TS1-scwrl costs 0 real_cost = -110.89 3Dpro_TS1 costs 0 real_cost = -102.008 3D-JIGSAW_TS5-scwrl costs 0 real_cost = 82.3165 3D-JIGSAW_TS5 costs 0 real_cost = 83.7245 3D-JIGSAW_TS4-scwrl costs 0 real_cost = -69.381 3D-JIGSAW_TS4 costs 0 real_cost = -71.4274 3D-JIGSAW_TS3-scwrl costs 0 real_cost = 131.318 3D-JIGSAW_TS3 costs 0 real_cost = 149.614 3D-JIGSAW_TS2-scwrl costs 0 real_cost = 136.523 3D-JIGSAW_TS2 costs 0 real_cost = 147.283 3D-JIGSAW_TS1-scwrl costs 0 real_cost = 136.191 3D-JIGSAW_TS1 costs 0 real_cost = 155.42 3D-JIGSAW_RECOM_TS5-scwrl costs 0 real_cost = -92.9621 3D-JIGSAW_RECOM_TS5 costs 0 real_cost = -93.4934 3D-JIGSAW_RECOM_TS4-scwrl costs 0 real_cost = -91.0732 3D-JIGSAW_RECOM_TS4 costs 0 real_cost = -80.5491 3D-JIGSAW_RECOM_TS3-scwrl costs 0 real_cost = -92.8068 3D-JIGSAW_RECOM_TS3 costs 0 real_cost = -80.4455 3D-JIGSAW_RECOM_TS2-scwrl costs 0 real_cost = -50.5466 3D-JIGSAW_RECOM_TS2 costs 0 real_cost = -53.791 3D-JIGSAW_RECOM_TS1-scwrl costs 0 real_cost = -92.2239 3D-JIGSAW_RECOM_TS1 costs 0 real_cost = -81.1532 3D-JIGSAW_POPULUS_TS5-scwrl costs 0 real_cost = -85.2119 3D-JIGSAW_POPULUS_TS5 costs 0 real_cost = -88.0119 3D-JIGSAW_POPULUS_TS4-scwrl costs 0 real_cost = -85.7813 3D-JIGSAW_POPULUS_TS4 costs 0 real_cost = -88.5813 3D-JIGSAW_POPULUS_TS3-scwrl costs 0 real_cost = -85.769 3D-JIGSAW_POPULUS_TS3 costs 0 real_cost = -88.569 3D-JIGSAW_POPULUS_TS2-scwrl costs 0 real_cost = -85.7839 3D-JIGSAW_POPULUS_TS2 costs 0 real_cost = -88.5839 3D-JIGSAW_POPULUS_TS1-scwrl costs 0 real_cost = -87.0346 3D-JIGSAW_POPULUS_TS1 costs 0 real_cost = -89.8346 dimer//dimer-try1-2fs2A.unpack costs 0 real_cost = -103.898 dimer//dimer-try1-2fs2A costs 0 real_cost = -103.898 dimer//dimer-tr322-2fs2A costs 0 real_cost = -143.844 dimer//try9-opt2.unpack costs 0 real_cost = -149.886 dimer//try9-opt2.unpack.gromacs0.repack-nonPC costs 0 real_cost = -144.632 dimer//try9-opt2.unpack.gromacs0 costs 0 real_cost = -144.989 dimer//try9-opt2.repack-nonPC costs 0 real_cost = -145.786 dimer//try9-opt2 costs 0 real_cost = -149.886 dimer//try9-opt1 costs 0 real_cost = -146.62 dimer//try9-opt1-scwrl costs 0 real_cost = -150.207 dimer//try8-opt2.unpack costs 0 real_cost = -146.621 dimer//try8-opt2.unpack.gromacs0.repack-nonPC costs 0 real_cost = -144.04 dimer//try8-opt2.unpack.gromacs0 costs 0 real_cost = -144.226 dimer//try8-opt2.repack-nonPC costs 0 real_cost = -145.862 dimer//try8-opt2 costs 0 real_cost = -146.621 dimer//try8-opt1 costs 0 real_cost = -144.21 dimer//try8-opt1-scwrl costs 0 real_cost = -146.809 dimer//try7-opt2.unpack costs 0 real_cost = -150.547 dimer//try7-opt2.unpack.gromacs0.repack-nonPC costs 0 real_cost = -146.487 dimer//try7-opt2.unpack.gromacs0 costs 0 real_cost = -148.336 dimer//try7-opt2.repack-nonPC costs 0 real_cost = -141.335 dimer//try7-opt2 costs 0 real_cost = -150.547 dimer//try7-opt1 costs 0 real_cost = -147.361 dimer//try7-opt1-scwrl costs 0 real_cost = -146.309 dimer//try6-opt2.unpack costs 0 real_cost = -151.613 dimer//try6-opt2.unpack.gromacs0.repack-nonPC costs 0 real_cost = -145.293 dimer//try6-opt2.unpack.gromacs0 costs 0 real_cost = -149.567 dimer//try6-opt2.repack-nonPC costs 0 real_cost = -147.583 dimer//try6-opt2 costs 0 real_cost = -151.613 dimer//try6-opt1 costs 0 real_cost = -146.911 dimer//try6-opt1-scwrl costs 0 real_cost = -147.095 dimer//try5-opt2.unpack costs 0 real_cost = -149.981 dimer//try5-opt2.unpack.gromacs0.repack-nonPC costs 0 real_cost = -145.973 dimer//try5-opt2.unpack.gromacs0 costs 0 real_cost = -147.821 dimer//try5-opt2.repack-nonPC costs 0 real_cost = -146.308 dimer//try5-opt2 costs 0 real_cost = -149.981 dimer//try5-opt1 costs 0 real_cost = -151.896 dimer//try5-opt1-scwrl costs 0 real_cost = -150.345 dimer//try4-opt2.unpack costs 0 real_cost = -155.471 dimer//try4-opt2.unpack.gromacs0.repack-nonPC costs 0 real_cost = -152.689 dimer//try4-opt2.unpack.gromacs0 costs 0 real_cost = -152.455 dimer//try4-opt2.repack-nonPC costs 0 real_cost = -155.315 dimer//try4-opt2 costs 0 real_cost = -155.471 dimer//try4-opt1 costs 0 real_cost = -150.393 dimer//try4-opt1-scwrl costs 0 real_cost = -153.462 dimer//try3-opt2.unpack costs 0 real_cost = -103.161 dimer//try3-opt2.repack-nonPC costs 0 real_cost = -103.214 dimer//try3-opt2 costs 0 real_cost = -103.161 dimer//try3-opt2.gromacs0 costs 0 real_cost = -108.972 dimer//try3-opt1 costs 0 real_cost = -104.212 dimer//try3-opt1-scwrl costs 0 real_cost = -102.86 dimer//try2-opt2.unpack costs 0 real_cost = -102.214 dimer//try2-opt2.repack-nonPC costs 0 real_cost = -103.761 dimer//try2-opt2 costs 0 real_cost = -102.214 dimer//try2-opt2.gromacs0 costs 0 real_cost = -105.423 dimer//try2-opt1 costs 0 real_cost = -102.243 dimer//try2-opt1-scwrl costs 0 real_cost = -102.589 dimer//try14-opt2.unpack costs 0 real_cost = -144.871 dimer//try14-opt2.unpack.gromacs0.repack-nonPC costs 0 real_cost = -141.051 dimer//try14-opt2.unpack.gromacs0 costs 0 real_cost = -148.577 dimer//try14-opt2.repack-nonPC costs 0 real_cost = -139.48 dimer//try14-opt2 costs 0 real_cost = -144.871 dimer//try14-opt1 costs 0 real_cost = -145.546 dimer//try14-opt1-scwrl costs 0 real_cost = -141.843 dimer//try13-opt2.unpack costs 0 real_cost = -150.268 dimer//try13-opt2.unpack.gromacs0.repack-nonPC costs 0 real_cost = -144.843 dimer//try13-opt2.unpack.gromacs0 costs 0 real_cost = -148.84 dimer//try13-opt2.repack-nonPC costs 0 real_cost = -147.335 dimer//try13-opt2 costs 0 real_cost = -150.268 dimer//try13-opt1 costs 0 real_cost = -150.609 dimer//try13-opt1-scwrl costs 0 real_cost = -151.027 dimer//try12-opt2.unpack costs 0 real_cost = -148.662 dimer//try12-opt2.unpack.gromacs0.repack-nonPC costs 0 real_cost = -147.056 dimer//try12-opt2.unpack.gromacs0 costs 0 real_cost = -147.892 dimer//try12-opt2.repack-nonPC costs 0 real_cost = -143.919 dimer//try12-opt2 costs 0 real_cost = -148.662 dimer//try12-opt1 costs 0 real_cost = -148.515 dimer//try12-opt1-scwrl costs 0 real_cost = -153.016 dimer//try11-opt2.unpack costs 0 real_cost = -148.518 dimer//try11-opt2.unpack.gromacs0.repack-nonPC costs 0 real_cost = -143.721 dimer//try11-opt2.unpack.gromacs0 costs 0 real_cost = -146.371 dimer//try11-opt2.repack-nonPC costs 0 real_cost = -146.048 dimer//try11-opt2 costs 0 real_cost = -148.518 dimer//try11-opt1 costs 0 real_cost = -147.087 dimer//try11-opt1-scwrl costs 0 real_cost = -149.119 dimer//try10-opt2.unpack costs 0 real_cost = -143.832 dimer//try10-opt2.unpack.gromacs0.repack-nonPC costs 0 real_cost = -144.361 dimer//try10-opt2.unpack.gromacs0 costs 0 real_cost = -143.045 dimer//try10-opt2.repack-nonPC costs 0 real_cost = -143.451 dimer//try10-opt2 costs 0 real_cost = -143.832 dimer//try10-opt1 costs 0 real_cost = -148.963 dimer//try10-opt1-scwrl costs 0 real_cost = -148.433 dimer//try1-opt2.unpack costs 0 real_cost = -102.2 dimer//try1-opt2.repack-nonPC costs 0 real_cost = -98.0557 dimer//try1-opt2 costs 0 real_cost = -102.2 dimer//try1-opt2.gromacs0 costs 0 real_cost = -103.858 dimer//try1-opt1 costs 0 real_cost = -99.4095 dimer//try1-opt1-scwrl costs 0 real_cost = -98.6155 tr322.repack-nonPC.pdb.gz costs 0 real_cost = -144.547 tr322.pdb.gz costs 0 real_cost = -145.626 tr322.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = -143.774 tr322.gromacs0.pdb.gz costs 0 real_cost = -144.123 T0322.try1-opt2.pdb.gz costs 0 real_cost = -103.865 T0322.try1-opt1.pdb.gz costs 0 real_cost = -103.244 T0322.try1-opt1-scwrl.pdb.gz costs 0 real_cost = -101.787 ../refine.model5.ts-submitted costs 0 real_cost = -146.734 ../refine.model4.ts-submitted costs 0 real_cost = -144.654 ../refine.model3.ts-submitted costs 0 real_cost = -150.243 ../refine.model2.ts-submitted costs 0 real_cost = -144.505 ../refine.model1.ts-submitted costs 0 real_cost = -144.887 ../model5.ts-submitted costs 0 real_cost = -42.7209 ../model4.ts-submitted costs 0 real_cost = -103.885 ../model3.ts-submitted costs 0 real_cost = -102.015 ../model2.ts-submitted costs 0 real_cost = -102.079 ../model1.ts-submitted costs 0 real_cost = -102.973 align5 costs 0 real_cost = -17.4074 align4 costs 0 real_cost = -33.3251 align3 costs 0 real_cost = -102.19 align2 costs 0 real_cost = -95.5822 align1 costs 0 real_cost = -60.019 T0322.try1-opt2.pdb costs 0 real_cost = -103.865 model5-scwrl costs 0 real_cost = -5.43913 model5.ts-submitted costs 0 real_cost = -42.7209 model4-scwrl costs 0 real_cost = -104.596 model4.ts-submitted costs 0 real_cost = -103.885 model3-scwrl costs 0 real_cost = -102.088 model3.ts-submitted costs 0 real_cost = -102.015 model2-scwrl costs 0 real_cost = -103.818 model2.ts-submitted costs 0 real_cost = -102.079 model1-scwrl costs 0 real_cost = -103.717 model1.ts-submitted costs 0 real_cost = -102.973 T0322_1.real.pdb costs 0 real_cost = -846.2 # command:CPU_time= 473.962 sec, elapsed time= 1206.27 sec) # command:rm -f sort.tmp /projects/compbio/bin/sorttbl real_cost < decoys/evaluate_1.rdb > sort.tmp mv -f sort.tmp decoys/evaluate_1.rdb mv -f decoys/evaluate_1.pretty decoys/evaluate_1.pretty.old mv: cannot stat `decoys/evaluate_1.pretty': No such file or directory make: [decoys/evaluate_1.pretty] Error 1 (ignored) /projects/compbio/experiments/protein-predict/casp7/scripts/prettyscore -terse -targpfx -decpoint < decoys/evaluate_1.rdb > decoys/evaluate_1.pretty