/projects/compbio/experiments/protein-predict/casp7/starter-directory/Make.main:725: SECONDARY_TARGET = T0348.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/T0348.} ;\ 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/T0348/ -e s/START_COL/1/ \ -e s/REAL_PDB/2hf1A/ \ -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 1170388325 # 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= 5.13622 sec, elapsed time= 5.17953 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= 5.20821 sec, elapsed time= 5.26494 sec) # command:# Prefix for input files set to # command:# Making conformation for sequence T0348 numbered 1 through 68 Created new target T0348 from T0348.a2m # command:# command:# No conformations to remove in PopConform # command:# cleared Id set # command:# command:2hf1A expands to /projects/compbio/data/pdb/2hf1.pdb.gz 2hf1A: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 Read 61 residues and 465 atoms. # WARNING: incomplete conformation T0348 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= 7.2369 sec, elapsed time= 7.36041 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 38 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -58.1967 # GDT_score(maxd=8,maxw=2.9)= -58.1466 # GDT_score(maxd=8,maxw=3.2)= -56.8524 # GDT_score(maxd=8,maxw=3.5)= -55.3432 # GDT_score(maxd=10,maxw=3.8)= -57.1605 # GDT_score(maxd=10,maxw=4)= -56.1149 # GDT_score(maxd=10,maxw=4.2)= -55.0821 # GDT_score(maxd=12,maxw=4.3)= -57.3918 # GDT_score(maxd=12,maxw=4.5)= -56.3665 # GDT_score(maxd=12,maxw=4.7)= -55.2873 # GDT_score(maxd=14,maxw=5.2)= -54.7672 # GDT_score(maxd=14,maxw=5.5)= -53.0038 # command:# request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_2016054116.pdb -s /var/tmp/to_scwrl_2016054116.seq -o /var/tmp/from_scwrl_2016054116.pdb > /var/tmp/scwrl_2016054116.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2016054116.pdb # conformation set from SCWRL output # command:# naming current conformation model1-scwrl # command:# Prefix for output files set to # command:superimposing iter= 0 total_weight= 7.0900000e+02 rmsd (weighted)= 1.2253132e+01 (unweighted)= 3.0573726e+01 superimposing iter= 1 total_weight= 1.2638390e+03 rmsd (weighted)= 6.6445500e+00 (unweighted)= 3.1132461e+01 superimposing iter= 2 total_weight= 8.7714659e+02 rmsd (weighted)= 4.0638833e+00 (unweighted)= 3.1860074e+01 superimposing iter= 3 total_weight= 1.1743032e+03 rmsd (weighted)= 2.1446852e+00 (unweighted)= 3.2310366e+01 superimposing iter= 4 total_weight= 1.2572830e+03 rmsd (weighted)= 1.1823847e+00 (unweighted)= 3.2439591e+01 superimposing iter= 5 total_weight= 9.3841593e+02 rmsd (weighted)= 7.8804055e-01 (unweighted)= 3.2506227e+01 # command:# Prefix for output files set to decoys/ # command:# ReadConformPDB reading from PDB file model2.ts-submitted looking for model 1 # Found a chain break before 32 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -58.1967 # GDT_score(maxd=8,maxw=2.9)= -58.8101 # GDT_score(maxd=8,maxw=3.2)= -57.4128 # GDT_score(maxd=8,maxw=3.5)= -55.9912 # GDT_score(maxd=10,maxw=3.8)= -57.8679 # GDT_score(maxd=10,maxw=4)= -56.7459 # GDT_score(maxd=10,maxw=4.2)= -55.5831 # GDT_score(maxd=12,maxw=4.3)= -57.9824 # GDT_score(maxd=12,maxw=4.5)= -56.8152 # GDT_score(maxd=12,maxw=4.7)= -55.5928 # GDT_score(maxd=14,maxw=5.2)= -55.076 # GDT_score(maxd=14,maxw=5.5)= -53.2223 # command:# request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1136282295.pdb -s /var/tmp/to_scwrl_1136282295.seq -o /var/tmp/from_scwrl_1136282295.pdb > /var/tmp/scwrl_1136282295.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1136282295.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 41 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -56.1475 # GDT_score(maxd=8,maxw=2.9)= -58.1021 # GDT_score(maxd=8,maxw=3.2)= -55.6452 # GDT_score(maxd=8,maxw=3.5)= -53.0805 # GDT_score(maxd=10,maxw=3.8)= -55.5845 # GDT_score(maxd=10,maxw=4)= -53.8631 # GDT_score(maxd=10,maxw=4.2)= -52.1515 # GDT_score(maxd=12,maxw=4.3)= -55.3796 # GDT_score(maxd=12,maxw=4.5)= -53.6894 # GDT_score(maxd=12,maxw=4.7)= -52.0482 # GDT_score(maxd=14,maxw=5.2)= -51.3379 # GDT_score(maxd=14,maxw=5.5)= -49.1079 # command:# request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_266368746.pdb -s /var/tmp/to_scwrl_266368746.seq -o /var/tmp/from_scwrl_266368746.pdb > /var/tmp/scwrl_266368746.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_266368746.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 51 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -58.6066 # GDT_score(maxd=8,maxw=2.9)= -58.6085 # GDT_score(maxd=8,maxw=3.2)= -57.0284 # GDT_score(maxd=8,maxw=3.5)= -55.2418 # GDT_score(maxd=10,maxw=3.8)= -57.3164 # GDT_score(maxd=10,maxw=4)= -56.0798 # GDT_score(maxd=10,maxw=4.2)= -54.8211 # GDT_score(maxd=12,maxw=4.3)= -57.4609 # GDT_score(maxd=12,maxw=4.5)= -56.2036 # GDT_score(maxd=12,maxw=4.7)= -54.8652 # GDT_score(maxd=14,maxw=5.2)= -54.3948 # GDT_score(maxd=14,maxw=5.5)= -52.5156 # command:# request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1968229787.pdb -s /var/tmp/to_scwrl_1968229787.seq -o /var/tmp/from_scwrl_1968229787.pdb > /var/tmp/scwrl_1968229787.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1968229787.pdb # conformation set from SCWRL output # command:# naming current conformation model4-scwrl # command:# ReadConformPDB reading from PDB file model5.ts-submitted looking for model 1 # Found a chain break before 65 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -49.5902 # GDT_score(maxd=8,maxw=2.9)= -47.1608 # GDT_score(maxd=8,maxw=3.2)= -44.633 # GDT_score(maxd=8,maxw=3.5)= -42.3517 # GDT_score(maxd=10,maxw=3.8)= -46.4471 # GDT_score(maxd=10,maxw=4)= -44.9301 # GDT_score(maxd=10,maxw=4.2)= -43.4574 # GDT_score(maxd=12,maxw=4.3)= -47.9627 # GDT_score(maxd=12,maxw=4.5)= -46.44 # GDT_score(maxd=12,maxw=4.7)= -44.9909 # GDT_score(maxd=14,maxw=5.2)= -45.5462 # GDT_score(maxd=14,maxw=5.5)= -43.5293 # command:# request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1235801064.pdb -s /var/tmp/to_scwrl_1235801064.seq -o /var/tmp/from_scwrl_1235801064.pdb > /var/tmp/scwrl_1235801064.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1235801064.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 T0348.try1-opt2.pdb looking for model 1 # Found a chain break before 45 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -59.0164 # GDT_score(maxd=8,maxw=2.9)= -58.7355 # GDT_score(maxd=8,maxw=3.2)= -57.1848 # GDT_score(maxd=8,maxw=3.5)= -55.3845 # GDT_score(maxd=10,maxw=3.8)= -57.5105 # GDT_score(maxd=10,maxw=4)= -56.2504 # GDT_score(maxd=10,maxw=4.2)= -54.9817 # GDT_score(maxd=12,maxw=4.3)= -57.6744 # GDT_score(maxd=12,maxw=4.5)= -56.4226 # GDT_score(maxd=12,maxw=4.7)= -55.1467 # GDT_score(maxd=14,maxw=5.2)= -54.6819 # GDT_score(maxd=14,maxw=5.5)= -52.7718 # command:# Prefix for output files set to # command:superimposing iter= 0 total_weight= 7.0900000e+02 rmsd (weighted)= 1.2479674e+01 (unweighted)= 2.6068820e+01 superimposing iter= 1 total_weight= 1.2787346e+03 rmsd (weighted)= 6.7591170e+00 (unweighted)= 2.7188037e+01 superimposing iter= 2 total_weight= 7.9395972e+02 rmsd (weighted)= 4.6100095e+00 (unweighted)= 2.8624803e+01 superimposing iter= 3 total_weight= 8.2351675e+02 rmsd (weighted)= 2.9294334e+00 (unweighted)= 3.0058117e+01 superimposing iter= 4 total_weight= 1.0682191e+03 rmsd (weighted)= 1.7121167e+00 (unweighted)= 3.0748264e+01 superimposing iter= 5 total_weight= 9.6829457e+02 rmsd (weighted)= 1.1067227e+00 (unweighted)= 3.1089867e+01 # command:# Prefix for output files set to decoys/ # command:# Prefix for input files set to # command:# ReadConformPDB reading from PDB file T0348.undertaker-align.pdb looking for model 1 WARNING: atoms too close: (T0348)D40.C and (T0348)I42.C only 0.0000000e+00 apart, marking (T0348)I42.C as missing WARNING: atoms too close: (T0348)G41.N and (T0348)P43.N only 0.0000000e+00 apart, marking (T0348)G41.N as missing WARNING: atoms too close: (T0348)G41.CA and (T0348)P43.CA only 0.0000000e+00 apart, marking (T0348)G41.CA as missing # WARNING: incomplete conformation T0348 can't currently be optimized by undertaker # command:# naming current conformation align1 # command:# fraction of real conformation used = 0.836066 # GDT_score = -41.8033 # GDT_score(maxd=8,maxw=2.9)= -40.9223 # GDT_score(maxd=8,maxw=3.2)= -39.2519 # GDT_score(maxd=8,maxw=3.5)= -37.7141 # GDT_score(maxd=10,maxw=3.8)= -40.2065 # GDT_score(maxd=10,maxw=4)= -39.0987 # GDT_score(maxd=10,maxw=4.2)= -37.985 # GDT_score(maxd=12,maxw=4.3)= -40.7263 # GDT_score(maxd=12,maxw=4.5)= -39.601 # GDT_score(maxd=12,maxw=4.7)= -38.4201 # GDT_score(maxd=14,maxw=5.2)= -38.3189 # GDT_score(maxd=14,maxw=5.5)= -36.7539 # command:# ReadConformPDB reading from PDB file T0348.undertaker-align.pdb looking for model 2 WARNING: atoms too close: (T0348)A35.C and (T0348)P37.C only 0.0000000e+00 apart, marking (T0348)P37.C as missing WARNING: atoms too close: (T0348)F36.N and (T0348)I38.N only 0.0000000e+00 apart, marking (T0348)F36.N as missing WARNING: atoms too close: (T0348)F36.CA and (T0348)I38.CA only 0.0000000e+00 apart, marking (T0348)F36.CA as missing # WARNING: incomplete conformation T0348 can't currently be optimized by undertaker # command:# naming current conformation align2 # command:# fraction of real conformation used = 0.52459 # GDT_score = -37.2951 # GDT_score(maxd=8,maxw=2.9)= -38.6482 # GDT_score(maxd=8,maxw=3.2)= -37.3329 # GDT_score(maxd=8,maxw=3.5)= -35.8549 # GDT_score(maxd=10,maxw=3.8)= -36.9359 # GDT_score(maxd=10,maxw=4)= -36.0096 # GDT_score(maxd=10,maxw=4.2)= -35.1536 # GDT_score(maxd=12,maxw=4.3)= -36.6608 # GDT_score(maxd=12,maxw=4.5)= -35.8328 # GDT_score(maxd=12,maxw=4.7)= -34.99 # GDT_score(maxd=14,maxw=5.2)= -34.4444 # GDT_score(maxd=14,maxw=5.5)= -33.1702 # command:# ReadConformPDB reading from PDB file T0348.undertaker-align.pdb looking for model 3 # WARNING: incomplete conformation T0348 can't currently be optimized by undertaker # command:# naming current conformation align3 # command:# ReadConformPDB reading from PDB file T0348.undertaker-align.pdb looking for model 4 WARNING: atoms too close: (T0348)D21.C and (T0348)K22.C only 0.0000000e+00 apart, marking (T0348)K22.C as missing WARNING: atoms too close: (T0348)K22.N and (T0348)S23.N only 0.0000000e+00 apart, marking (T0348)K22.N as missing WARNING: atoms too close: (T0348)K22.CA and (T0348)S23.CA only 0.0000000e+00 apart, marking (T0348)K22.CA as missing WARNING: atoms too close: (T0348)P43.C and (T0348)E52.C only 0.0000000e+00 apart, marking (T0348)E52.C as missing WARNING: atoms too close: (T0348)M44.N and (T0348)L53.N only 0.0000000e+00 apart, marking (T0348)M44.N as missing WARNING: atoms too close: (T0348)M44.CA and (T0348)L53.CA only 0.0000000e+00 apart, marking (T0348)M44.CA as missing # WARNING: incomplete conformation T0348 can't currently be optimized by undertaker # command:# naming current conformation align4 # command:# ReadConformPDB reading from PDB file T0348.undertaker-align.pdb looking for model 5 # WARNING: incomplete conformation T0348 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 38 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model2.ts-submitted looking for model 1 # Found a chain break before 32 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model3.ts-submitted looking for model 1 # Found a chain break before 41 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model4.ts-submitted looking for model 1 # Found a chain break before 51 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model5.ts-submitted looking for model 1 # Found a chain break before 65 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try1-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 39 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try1-opt1.pdb.gz looking for model 1 # Found a chain break before 39 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try1-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 32 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try1-opt2.pdb.gz looking for model 1 # Found a chain break before 45 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try1-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 45 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try10-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 44 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try10-opt1.pdb.gz looking for model 1 # Found a chain break before 44 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try10-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 57 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try10-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 57 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try10-opt2.pdb.gz looking for model 1 # Found a chain break before 66 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try10-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 66 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try11-opt1-scwrl.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0348.try11-opt1.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0348.try11-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 32 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try11-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 32 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try11-opt2.pdb.gz looking for model 1 # Found a chain break before 65 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try11-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 65 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try12-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 44 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try12-opt1.pdb.gz looking for model 1 # Found a chain break before 44 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try12-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 42 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try12-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 42 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try12-opt2.pdb.gz looking for model 1 # Found a chain break before 65 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try12-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 65 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try13-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 53 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try13-opt1.pdb.gz looking for model 1 # Found a chain break before 53 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try13-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 44 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try13-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 44 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try13-opt2.pdb.gz looking for model 1 # Found a chain break before 53 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try13-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 53 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try14-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 62 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try14-opt1.pdb.gz looking for model 1 # Found a chain break before 62 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try14-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 65 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try14-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 65 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try14-opt2.pdb.gz looking for model 1 # Found a chain break before 64 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try14-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 64 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try15-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 41 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try15-opt1.pdb.gz looking for model 1 # Found a chain break before 41 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try15-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 44 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try15-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 44 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try15-opt2.pdb.gz looking for model 1 # Found a chain break before 44 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try15-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 44 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try16-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 65 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try16-opt1.pdb.gz looking for model 1 # Found a chain break before 65 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try16-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 67 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try16-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 67 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try16-opt2.pdb.gz looking for model 1 # Found a chain break before 65 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try16-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 65 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try17-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 41 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try17-opt1.pdb.gz looking for model 1 # Found a chain break before 41 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try17-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 44 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try17-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 44 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try17-opt2.pdb.gz looking for model 1 # Found a chain break before 44 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try17-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 44 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try18-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 32 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try18-opt1.pdb.gz looking for model 1 # Found a chain break before 32 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try18-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 33 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try18-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 33 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try18-opt2.pdb.gz looking for model 1 # Found a chain break before 38 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try18-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 38 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try19-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 41 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try19-opt1.pdb.gz looking for model 1 # Found a chain break before 41 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try19-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 44 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try19-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 44 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try19-opt2.pdb.gz looking for model 1 # Found a chain break before 44 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try19-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 44 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try2-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 54 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try2-opt1.pdb.gz looking for model 1 # Found a chain break before 54 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try2-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 45 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try2-opt2.pdb.gz looking for model 1 # Found a chain break before 54 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try2-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 54 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try20-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 32 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try20-opt1.pdb.gz looking for model 1 # Found a chain break before 32 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try20-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 38 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try20-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 38 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try20-opt2.pdb.gz looking for model 1 # Found a chain break before 38 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try20-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 38 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try21-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 45 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try21-opt1.pdb.gz looking for model 1 # Found a chain break before 45 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try21-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 39 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try21-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 39 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try21-opt2.pdb.gz looking for model 1 # Found a chain break before 51 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try21-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 51 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try3-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 65 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try3-opt1.pdb.gz looking for model 1 # Found a chain break before 65 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try3-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 30 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try3-opt2.pdb.gz looking for model 1 # Found a chain break before 65 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try3-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 65 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try4-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 46 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try4-opt1.pdb.gz looking for model 1 # Found a chain break before 46 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try4-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 44 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try4-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 44 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try4-opt2.pdb.gz looking for model 1 # Found a chain break before 46 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try4-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 46 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try5-opt2.gromacs0.pdb.gz looking for model 1 Error: Reading chain from PDB file T0348.try5-opt2.gromacs0.pdb.gz failed. # ReadConformPDB reading from PDB file T0348.try6-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 46 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try6-opt1.pdb.gz looking for model 1 # Found a chain break before 46 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try6-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 44 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try6-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 44 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try6-opt2.pdb.gz looking for model 1 # Found a chain break before 46 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try6-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 46 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try7-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 67 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try7-opt1.pdb.gz looking for model 1 # Found a chain break before 67 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try7-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 64 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try7-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 64 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try7-opt2.pdb.gz looking for model 1 # Found a chain break before 67 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try7-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 67 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try8-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 15 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try8-opt1.pdb.gz looking for model 1 # Found a chain break before 15 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try8-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 36 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try8-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 36 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try8-opt2.pdb.gz looking for model 1 # Found a chain break before 45 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try8-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 45 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try9-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 45 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try9-opt1.pdb.gz looking for model 1 # Found a chain break before 45 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try9-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 39 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try9-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 39 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try9-opt2.pdb.gz looking for model 1 # Found a chain break before 45 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try9-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 45 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file chimera-M1-K60-2-8.pdb.gz looking for model 1 # Found a chain break before 45 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS1.pdb.gz looking for model 1 # Found a chain break before 58 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_237062922.pdb -s /var/tmp/to_scwrl_237062922.seq -o /var/tmp/from_scwrl_237062922.pdb > /var/tmp/scwrl_237062922.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_237062922.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_POPULUS_TS1-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS2.pdb.gz looking for model 1 # Found a chain break before 54 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS2 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_868577387.pdb -s /var/tmp/to_scwrl_868577387.seq -o /var/tmp/from_scwrl_868577387.pdb > /var/tmp/scwrl_868577387.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_868577387.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 T0348 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS3 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_328011104.pdb -s /var/tmp/to_scwrl_328011104.seq -o /var/tmp/from_scwrl_328011104.pdb > /var/tmp/scwrl_328011104.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_328011104.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_POPULUS_TS3-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS4.pdb.gz looking for model 1 # Found a chain break before 58 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS4 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1740071230.pdb -s /var/tmp/to_scwrl_1740071230.seq -o /var/tmp/from_scwrl_1740071230.pdb > /var/tmp/scwrl_1740071230.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1740071230.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_POPULUS_TS4-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS5.pdb.gz looking for model 1 # Found a chain break before 58 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS5 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_516389018.pdb -s /var/tmp/to_scwrl_516389018.seq -o /var/tmp/from_scwrl_516389018.pdb > /var/tmp/scwrl_516389018.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_516389018.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 T0348 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_RECOM_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1153606230.pdb -s /var/tmp/to_scwrl_1153606230.seq -o /var/tmp/from_scwrl_1153606230.pdb > /var/tmp/scwrl_1153606230.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1153606230.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 T0348 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_RECOM_TS2 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_948929982.pdb -s /var/tmp/to_scwrl_948929982.seq -o /var/tmp/from_scwrl_948929982.pdb > /var/tmp/scwrl_948929982.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_948929982.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 T0348 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_RECOM_TS3 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_162399831.pdb -s /var/tmp/to_scwrl_162399831.seq -o /var/tmp/from_scwrl_162399831.pdb > /var/tmp/scwrl_162399831.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_162399831.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 T0348 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_RECOM_TS4 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1018383472.pdb -s /var/tmp/to_scwrl_1018383472.seq -o /var/tmp/from_scwrl_1018383472.pdb > /var/tmp/scwrl_1018383472.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1018383472.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 T0348 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_RECOM_TS5 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_306947016.pdb -s /var/tmp/to_scwrl_306947016.seq -o /var/tmp/from_scwrl_306947016.pdb > /var/tmp/scwrl_306947016.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_306947016.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 T0348 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_639575809.pdb -s /var/tmp/to_scwrl_639575809.seq -o /var/tmp/from_scwrl_639575809.pdb > /var/tmp/scwrl_639575809.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_639575809.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 T0348 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS2 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1920024430.pdb -s /var/tmp/to_scwrl_1920024430.seq -o /var/tmp/from_scwrl_1920024430.pdb > /var/tmp/scwrl_1920024430.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1920024430.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 T0348 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_TS3 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1340984279.pdb -s /var/tmp/to_scwrl_1340984279.seq -o /var/tmp/from_scwrl_1340984279.pdb > /var/tmp/scwrl_1340984279.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1340984279.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 T0348 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS4 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_2009912825.pdb -s /var/tmp/to_scwrl_2009912825.seq -o /var/tmp/from_scwrl_2009912825.pdb > /var/tmp/scwrl_2009912825.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2009912825.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 # Found a chain break before 58 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_TS5 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_324583532.pdb -s /var/tmp/to_scwrl_324583532.seq -o /var/tmp/from_scwrl_324583532.pdb > /var/tmp/scwrl_324583532.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_324583532.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 29 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_2073447916.pdb -s /var/tmp/to_scwrl_2073447916.seq -o /var/tmp/from_scwrl_2073447916.pdb > /var/tmp/scwrl_2073447916.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2073447916.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 42 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS2 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1489333153.pdb -s /var/tmp/to_scwrl_1489333153.seq -o /var/tmp/from_scwrl_1489333153.pdb > /var/tmp/scwrl_1489333153.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1489333153.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 36 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS3 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_680817635.pdb -s /var/tmp/to_scwrl_680817635.seq -o /var/tmp/from_scwrl_680817635.pdb > /var/tmp/scwrl_680817635.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_680817635.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 67 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS4 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_799176460.pdb -s /var/tmp/to_scwrl_799176460.seq -o /var/tmp/from_scwrl_799176460.pdb > /var/tmp/scwrl_799176460.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_799176460.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 59 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS5 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1980826100.pdb -s /var/tmp/to_scwrl_1980826100.seq -o /var/tmp/from_scwrl_1980826100.pdb > /var/tmp/scwrl_1980826100.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1980826100.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 67 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_953011234.pdb -s /var/tmp/to_scwrl_953011234.seq -o /var/tmp/from_scwrl_953011234.pdb > /var/tmp/scwrl_953011234.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_953011234.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 59 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS2 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1221009052.pdb -s /var/tmp/to_scwrl_1221009052.seq -o /var/tmp/from_scwrl_1221009052.pdb > /var/tmp/scwrl_1221009052.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1221009052.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 63 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS3 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_813942864.pdb -s /var/tmp/to_scwrl_813942864.seq -o /var/tmp/from_scwrl_813942864.pdb > /var/tmp/scwrl_813942864.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_813942864.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 45 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS4 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_516711946.pdb -s /var/tmp/to_scwrl_516711946.seq -o /var/tmp/from_scwrl_516711946.pdb > /var/tmp/scwrl_516711946.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_516711946.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 34 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS5 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1547466913.pdb -s /var/tmp/to_scwrl_1547466913.seq -o /var/tmp/from_scwrl_1547466913.pdb > /var/tmp/scwrl_1547466913.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1547466913.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 48 # copying to AlignedFragments data structure # naming current conformation BayesHH_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1322414172.pdb -s /var/tmp/to_scwrl_1322414172.seq -o /var/tmp/from_scwrl_1322414172.pdb > /var/tmp/scwrl_1322414172.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1322414172.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 62 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_385282415.pdb -s /var/tmp/to_scwrl_385282415.seq -o /var/tmp/from_scwrl_385282415.pdb > /var/tmp/scwrl_385282415.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_385282415.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS1-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS2.pdb.gz looking for model 1 # Found a chain break before 67 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS2 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_536265562.pdb -s /var/tmp/to_scwrl_536265562.seq -o /var/tmp/from_scwrl_536265562.pdb > /var/tmp/scwrl_536265562.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_536265562.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS2-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS3.pdb.gz looking for model 1 # Found a chain break before 67 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS3 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1588782918.pdb -s /var/tmp/to_scwrl_1588782918.seq -o /var/tmp/from_scwrl_1588782918.pdb > /var/tmp/scwrl_1588782918.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1588782918.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS3-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS4.pdb.gz looking for model 1 # Found a chain break before 67 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS4 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_206028556.pdb -s /var/tmp/to_scwrl_206028556.seq -o /var/tmp/from_scwrl_206028556.pdb > /var/tmp/scwrl_206028556.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_206028556.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS4-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS5.pdb.gz looking for model 1 # Found a chain break before 67 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS5 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1772066626.pdb -s /var/tmp/to_scwrl_1772066626.seq -o /var/tmp/from_scwrl_1772066626.pdb > /var/tmp/scwrl_1772066626.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1772066626.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS5-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS1.pdb.gz looking for model 1 # Found a chain break before 64 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1825845841.pdb -s /var/tmp/to_scwrl_1825845841.seq -o /var/tmp/from_scwrl_1825845841.pdb > /var/tmp/scwrl_1825845841.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1825845841.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 T0348 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS2 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1074605942.pdb -s /var/tmp/to_scwrl_1074605942.seq -o /var/tmp/from_scwrl_1074605942.pdb > /var/tmp/scwrl_1074605942.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1074605942.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS2-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS3.pdb.gz looking for model 1 # Found a chain break before 60 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS3 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_2100077730.pdb -s /var/tmp/to_scwrl_2100077730.seq -o /var/tmp/from_scwrl_2100077730.pdb > /var/tmp/scwrl_2100077730.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2100077730.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS3-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS4.pdb.gz looking for model 1 # Found a chain break before 65 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS4 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1418433424.pdb -s /var/tmp/to_scwrl_1418433424.seq -o /var/tmp/from_scwrl_1418433424.pdb > /var/tmp/scwrl_1418433424.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1418433424.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS4-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS5.pdb.gz looking for model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS5 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1590994960.pdb -s /var/tmp/to_scwrl_1590994960.seq -o /var/tmp/from_scwrl_1590994960.pdb > /var/tmp/scwrl_1590994960.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1590994960.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS5-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0348 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1106200313.pdb -s /var/tmp/to_scwrl_1106200313.seq -o /var/tmp/from_scwrl_1106200313.pdb > /var/tmp/scwrl_1106200313.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1106200313.pdb # conformation set from SCWRL output # naming current conformation CaspIta-FOX_TS1-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS2.pdb.gz looking for model 1 # Found a chain break before 54 # copying to AlignedFragments data structure # naming current conformation CaspIta-FOX_TS2 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_219879759.pdb -s /var/tmp/to_scwrl_219879759.seq -o /var/tmp/from_scwrl_219879759.pdb > /var/tmp/scwrl_219879759.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_219879759.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 T0348 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS3 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1753394791.pdb -s /var/tmp/to_scwrl_1753394791.seq -o /var/tmp/from_scwrl_1753394791.pdb > /var/tmp/scwrl_1753394791.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1753394791.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 T0348 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS4 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_2124583786.pdb -s /var/tmp/to_scwrl_2124583786.seq -o /var/tmp/from_scwrl_2124583786.pdb > /var/tmp/scwrl_2124583786.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2124583786.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: atoms too close: (T0348)S48.C and (T0348)E49.N only 0.0000000e+00 apart, marking (T0348)E49.N as missing WARNING: atoms too close: (T0348)E49.N and (T0348)E49.CA only 0.0000000e+00 apart, marking (T0348)E49.CA as missing WARNING: atoms too close: (T0348)S48.C and (T0348)E49.CA only 0.0000000e+00 apart, marking (T0348)E49.CA as missing WARNING: atoms too close: (T0348)E49.CA and (T0348)E49.CB only 0.0000000e+00 apart, marking (T0348)E49.CB as missing WARNING: atoms too close: (T0348)E49.N and (T0348)E49.CB only 0.0000000e+00 apart, marking (T0348)E49.CB as missing WARNING: atoms too close: (T0348)S48.C and (T0348)E49.CB only 0.0000000e+00 apart, marking (T0348)E49.CB as missing WARNING: atoms too close: (T0348)E49.CB and (T0348)E49.CG only 0.0000000e+00 apart, marking (T0348)E49.CG as missing WARNING: atoms too close: (T0348)E49.CA and (T0348)E49.CG only 0.0000000e+00 apart, marking (T0348)E49.CG as missing WARNING: atoms too close: (T0348)E49.N and (T0348)E49.CG only 0.0000000e+00 apart, marking (T0348)E49.CG as missing WARNING: atoms too close: (T0348)S48.C and (T0348)E49.CG only 0.0000000e+00 apart, marking (T0348)E49.CG as missing WARNING: atoms too close: (T0348)E49.CG and (T0348)E49.CD only 0.0000000e+00 apart, marking (T0348)E49.CD as missing WARNING: atoms too close: (T0348)E49.CB and (T0348)E49.CD only 0.0000000e+00 apart, marking (T0348)E49.CD as missing WARNING: atoms too close: (T0348)E49.CA and (T0348)E49.CD only 0.0000000e+00 apart, marking (T0348)E49.CD as missing WARNING: atoms too close: (T0348)E49.N and (T0348)E49.CD only 0.0000000e+00 apart, marking (T0348)E49.CD as missing WARNING: atoms too close: (T0348)S48.C and (T0348)E49.CD only 0.0000000e+00 apart, marking (T0348)E49.CD as missing WARNING: atoms too close: (T0348)E49.CD and (T0348)E49.OE1 only 0.0000000e+00 apart, marking (T0348)E49.OE1 as missing WARNING: atoms too close: (T0348)E49.CG and (T0348)E49.OE1 only 0.0000000e+00 apart, marking (T0348)E49.OE1 as missing WARNING: atoms too close: (T0348)E49.CB and (T0348)E49.OE1 only 0.0000000e+00 apart, marking (T0348)E49.OE1 as missing WARNING: atoms too close: (T0348)E49.CA and (T0348)E49.OE1 only 0.0000000e+00 apart, marking (T0348)E49.OE1 as missing WARNING: atoms too close: (T0348)E49.N and (T0348)E49.OE1 only 0.0000000e+00 apart, marking (T0348)E49.OE1 as missing WARNING: atoms too close: (T0348)S48.C and (T0348)E49.OE1 only 0.0000000e+00 apart, marking (T0348)E49.OE1 as missing WARNING: atoms too close: (T0348)E49.OE1 and (T0348)E49.OE2 only 0.0000000e+00 apart, marking (T0348)E49.OE2 as missing WARNING: atoms too close: (T0348)E49.CD and (T0348)E49.OE2 only 0.0000000e+00 apart, marking (T0348)E49.OE2 as missing WARNING: atoms too close: (T0348)E49.CG and (T0348)E49.OE2 only 0.0000000e+00 apart, marking (T0348)E49.OE2 as missing WARNING: atoms too close: (T0348)E49.CB and (T0348)E49.OE2 only 0.0000000e+00 apart, marking (T0348)E49.OE2 as missing WARNING: atoms too close: (T0348)E49.CA and (T0348)E49.OE2 only 0.0000000e+00 apart, marking (T0348)E49.OE2 as missing WARNING: atoms too close: (T0348)E49.N and (T0348)E49.OE2 only 0.0000000e+00 apart, marking (T0348)E49.OE2 as missing WARNING: atoms too close: (T0348)S48.C and (T0348)E49.OE2 only 0.0000000e+00 apart, marking (T0348)E49.OE2 as missing WARNING: atoms too close: (T0348)E49.OE2 and (T0348)E49.O only 0.0000000e+00 apart, marking (T0348)E49.O as missing WARNING: atoms too close: (T0348)E49.OE1 and (T0348)E49.O only 0.0000000e+00 apart, marking (T0348)E49.O as missing WARNING: atoms too close: (T0348)E49.CD and (T0348)E49.O only 0.0000000e+00 apart, marking (T0348)E49.O as missing WARNING: atoms too close: (T0348)E49.CG and (T0348)E49.O only 0.0000000e+00 apart, marking (T0348)E49.O as missing WARNING: atoms too close: (T0348)E49.CB and (T0348)E49.O only 0.0000000e+00 apart, marking (T0348)E49.O as missing WARNING: atoms too close: (T0348)E49.CA and (T0348)E49.O only 0.0000000e+00 apart, marking (T0348)E49.O as missing WARNING: atoms too close: (T0348)E49.N and (T0348)E49.O only 0.0000000e+00 apart, marking (T0348)E49.O as missing WARNING: atoms too close: (T0348)S48.C and (T0348)E49.O only 0.0000000e+00 apart, marking (T0348)E49.O as missing WARNING: atoms too close: (T0348)E49.O and (T0348)E49.C only 0.0000000e+00 apart, marking (T0348)E49.C as missing WARNING: atoms too close: (T0348)E49.OE2 and (T0348)E49.C only 0.0000000e+00 apart, marking (T0348)E49.C as missing WARNING: atoms too close: (T0348)E49.OE1 and (T0348)E49.C only 0.0000000e+00 apart, marking (T0348)E49.C as missing WARNING: atoms too close: (T0348)E49.CD and (T0348)E49.C only 0.0000000e+00 apart, marking (T0348)E49.C as missing WARNING: atoms too close: (T0348)E49.CG and (T0348)E49.C only 0.0000000e+00 apart, marking (T0348)E49.C as missing WARNING: atoms too close: (T0348)E49.CB and (T0348)E49.C only 0.0000000e+00 apart, marking (T0348)E49.C as missing WARNING: atoms too close: (T0348)E49.CA and (T0348)E49.C only 0.0000000e+00 apart, marking (T0348)E49.C as missing WARNING: atoms too close: (T0348)E49.N and (T0348)E49.C only 0.0000000e+00 apart, marking (T0348)E49.C as missing WARNING: atoms too close: (T0348)S48.C and (T0348)E49.C only 0.0000000e+00 apart, marking (T0348)E49.C as missing # WARNING: incomplete conformation T0348 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS5 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_526826775.pdb -s /var/tmp/to_scwrl_526826775.seq -o /var/tmp/from_scwrl_526826775.pdb > /var/tmp/scwrl_526826775.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_526826775.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 T0348 can't currently be optimized by undertaker # naming current conformation Distill_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_245486953.pdb -s /var/tmp/to_scwrl_245486953.seq -o /var/tmp/from_scwrl_245486953.pdb > /var/tmp/scwrl_245486953.log Error: Couldn't open file /var/tmp/from_scwrl_245486953.pdb or /var/tmp/from_scwrl_245486953.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_245486953_b.pdb or decoys//var/tmp/from_scwrl_245486953_b.pdb.gz for input Trying /var/tmp/from_scwrl_245486953_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_245486953_b.pdb or /var/tmp/from_scwrl_245486953_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_245486953_a.pdb or decoys//var/tmp/from_scwrl_245486953_a.pdb.gz for input Trying /var/tmp/from_scwrl_245486953_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_245486953_a.pdb or /var/tmp/from_scwrl_245486953_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_245486953.pdb or /var/tmp/from_scwrl_245486953_b.pdb or /var/tmp/from_scwrl_245486953_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 T0348 can't currently be optimized by undertaker # naming current conformation Distill_TS2 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1897124569.pdb -s /var/tmp/to_scwrl_1897124569.seq -o /var/tmp/from_scwrl_1897124569.pdb > /var/tmp/scwrl_1897124569.log Error: Couldn't open file /var/tmp/from_scwrl_1897124569.pdb or /var/tmp/from_scwrl_1897124569.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1897124569_b.pdb or decoys//var/tmp/from_scwrl_1897124569_b.pdb.gz for input Trying /var/tmp/from_scwrl_1897124569_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1897124569_b.pdb or /var/tmp/from_scwrl_1897124569_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1897124569_a.pdb or decoys//var/tmp/from_scwrl_1897124569_a.pdb.gz for input Trying /var/tmp/from_scwrl_1897124569_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1897124569_a.pdb or /var/tmp/from_scwrl_1897124569_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1897124569.pdb or /var/tmp/from_scwrl_1897124569_b.pdb or /var/tmp/from_scwrl_1897124569_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 T0348 can't currently be optimized by undertaker # naming current conformation Distill_TS3 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1867811055.pdb -s /var/tmp/to_scwrl_1867811055.seq -o /var/tmp/from_scwrl_1867811055.pdb > /var/tmp/scwrl_1867811055.log Error: Couldn't open file /var/tmp/from_scwrl_1867811055.pdb or /var/tmp/from_scwrl_1867811055.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1867811055_b.pdb or decoys//var/tmp/from_scwrl_1867811055_b.pdb.gz for input Trying /var/tmp/from_scwrl_1867811055_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1867811055_b.pdb or /var/tmp/from_scwrl_1867811055_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1867811055_a.pdb or decoys//var/tmp/from_scwrl_1867811055_a.pdb.gz for input Trying /var/tmp/from_scwrl_1867811055_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1867811055_a.pdb or /var/tmp/from_scwrl_1867811055_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1867811055.pdb or /var/tmp/from_scwrl_1867811055_b.pdb or /var/tmp/from_scwrl_1867811055_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 T0348 can't currently be optimized by undertaker # naming current conformation Distill_TS4 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_107916131.pdb -s /var/tmp/to_scwrl_107916131.seq -o /var/tmp/from_scwrl_107916131.pdb > /var/tmp/scwrl_107916131.log Error: Couldn't open file /var/tmp/from_scwrl_107916131.pdb or /var/tmp/from_scwrl_107916131.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_107916131_b.pdb or decoys//var/tmp/from_scwrl_107916131_b.pdb.gz for input Trying /var/tmp/from_scwrl_107916131_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_107916131_b.pdb or /var/tmp/from_scwrl_107916131_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_107916131_a.pdb or decoys//var/tmp/from_scwrl_107916131_a.pdb.gz for input Trying /var/tmp/from_scwrl_107916131_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_107916131_a.pdb or /var/tmp/from_scwrl_107916131_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_107916131.pdb or /var/tmp/from_scwrl_107916131_b.pdb or /var/tmp/from_scwrl_107916131_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 T0348 can't currently be optimized by undertaker # naming current conformation Distill_TS5 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_74224454.pdb -s /var/tmp/to_scwrl_74224454.seq -o /var/tmp/from_scwrl_74224454.pdb > /var/tmp/scwrl_74224454.log Error: Couldn't open file /var/tmp/from_scwrl_74224454.pdb or /var/tmp/from_scwrl_74224454.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_74224454_b.pdb or decoys//var/tmp/from_scwrl_74224454_b.pdb.gz for input Trying /var/tmp/from_scwrl_74224454_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_74224454_b.pdb or /var/tmp/from_scwrl_74224454_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_74224454_a.pdb or decoys//var/tmp/from_scwrl_74224454_a.pdb.gz for input Trying /var/tmp/from_scwrl_74224454_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_74224454_a.pdb or /var/tmp/from_scwrl_74224454_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_74224454.pdb or /var/tmp/from_scwrl_74224454_b.pdb or /var/tmp/from_scwrl_74224454_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 67 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1793775324.pdb -s /var/tmp/to_scwrl_1793775324.seq -o /var/tmp/from_scwrl_1793775324.pdb > /var/tmp/scwrl_1793775324.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1793775324.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 # Found a chain break before 62 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS2 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1597249285.pdb -s /var/tmp/to_scwrl_1597249285.seq -o /var/tmp/from_scwrl_1597249285.pdb > /var/tmp/scwrl_1597249285.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1597249285.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 T0348 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FAMSD_TS3 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_755042089.pdb -s /var/tmp/to_scwrl_755042089.seq -o /var/tmp/from_scwrl_755042089.pdb > /var/tmp/scwrl_755042089.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_755042089.pdb # conformation set from SCWRL output # naming current conformation FAMSD_TS3-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS4.pdb.gz looking for model 1 # Found a chain break before 67 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS4 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_445468137.pdb -s /var/tmp/to_scwrl_445468137.seq -o /var/tmp/from_scwrl_445468137.pdb > /var/tmp/scwrl_445468137.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_445468137.pdb # conformation set from SCWRL output # naming current conformation FAMSD_TS4-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS5.pdb.gz looking for model 1 # Found a chain break before 67 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS5 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1430591738.pdb -s /var/tmp/to_scwrl_1430591738.seq -o /var/tmp/from_scwrl_1430591738.pdb > /var/tmp/scwrl_1430591738.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1430591738.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 66 # copying to AlignedFragments data structure # naming current conformation FAMS_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1708053323.pdb -s /var/tmp/to_scwrl_1708053323.seq -o /var/tmp/from_scwrl_1708053323.pdb > /var/tmp/scwrl_1708053323.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1708053323.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS1-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS2.pdb.gz looking for model 1 # Found a chain break before 64 # copying to AlignedFragments data structure # naming current conformation FAMS_TS2 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1666477189.pdb -s /var/tmp/to_scwrl_1666477189.seq -o /var/tmp/from_scwrl_1666477189.pdb > /var/tmp/scwrl_1666477189.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1666477189.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 T0348 can't currently be optimized by undertaker # naming current conformation FAMS_TS3 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_97050955.pdb -s /var/tmp/to_scwrl_97050955.seq -o /var/tmp/from_scwrl_97050955.pdb > /var/tmp/scwrl_97050955.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_97050955.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS3-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS4.pdb.gz looking for model 1 # Found a chain break before 60 # copying to AlignedFragments data structure # naming current conformation FAMS_TS4 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_77281622.pdb -s /var/tmp/to_scwrl_77281622.seq -o /var/tmp/from_scwrl_77281622.pdb > /var/tmp/scwrl_77281622.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_77281622.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 T0348 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FAMS_TS5 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1066460456.pdb -s /var/tmp/to_scwrl_1066460456.seq -o /var/tmp/from_scwrl_1066460456.pdb > /var/tmp/scwrl_1066460456.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1066460456.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 38 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1419465127.pdb -s /var/tmp/to_scwrl_1419465127.seq -o /var/tmp/from_scwrl_1419465127.pdb > /var/tmp/scwrl_1419465127.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1419465127.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 66 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS2 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_462564037.pdb -s /var/tmp/to_scwrl_462564037.seq -o /var/tmp/from_scwrl_462564037.pdb > /var/tmp/scwrl_462564037.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_462564037.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 # naming current conformation FOLDpro_TS3 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1602726017.pdb -s /var/tmp/to_scwrl_1602726017.seq -o /var/tmp/from_scwrl_1602726017.pdb > /var/tmp/scwrl_1602726017.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1602726017.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 4 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS4 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_860764400.pdb -s /var/tmp/to_scwrl_860764400.seq -o /var/tmp/from_scwrl_860764400.pdb > /var/tmp/scwrl_860764400.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_860764400.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 32 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS5 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_668592593.pdb -s /var/tmp/to_scwrl_668592593.seq -o /var/tmp/from_scwrl_668592593.pdb > /var/tmp/scwrl_668592593.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_668592593.pdb # conformation set from SCWRL output # naming current conformation FOLDpro_TS5-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0348 can't currently be optimized by undertaker # naming current conformation FORTE1_AL1 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1227308996.pdb -s /var/tmp/to_scwrl_1227308996.seq -o /var/tmp/from_scwrl_1227308996.pdb > /var/tmp/scwrl_1227308996.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1227308996.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 30, because occupancy 1.0000000e+00 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz Skipped atom 32, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz Skipped atom 34, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz Skipped atom 36, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz # WARNING: incomplete conformation T0348 can't currently be optimized by undertaker # naming current conformation FORTE1_AL2 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_539126594.pdb -s /var/tmp/to_scwrl_539126594.seq -o /var/tmp/from_scwrl_539126594.pdb > /var/tmp/scwrl_539126594.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_539126594.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 T0348 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL3 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1743198535.pdb -s /var/tmp/to_scwrl_1743198535.seq -o /var/tmp/from_scwrl_1743198535.pdb > /var/tmp/scwrl_1743198535.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1743198535.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 T0348 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL4 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1179903080.pdb -s /var/tmp/to_scwrl_1179903080.seq -o /var/tmp/from_scwrl_1179903080.pdb > /var/tmp/scwrl_1179903080.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1179903080.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 T0348 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL5 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1957560018.pdb -s /var/tmp/to_scwrl_1957560018.seq -o /var/tmp/from_scwrl_1957560018.pdb > /var/tmp/scwrl_1957560018.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1957560018.pdb # conformation set from SCWRL output # naming current conformation FORTE1_AL5-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0348 can't currently be optimized by undertaker # naming current conformation FORTE2_AL1 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1186709849.pdb -s /var/tmp/to_scwrl_1186709849.seq -o /var/tmp/from_scwrl_1186709849.pdb > /var/tmp/scwrl_1186709849.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1186709849.pdb # conformation set from SCWRL output # naming current conformation FORTE2_AL1-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0348 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE2_AL2 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_138619747.pdb -s /var/tmp/to_scwrl_138619747.seq -o /var/tmp/from_scwrl_138619747.pdb > /var/tmp/scwrl_138619747.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_138619747.pdb # conformation set from SCWRL output # naming current conformation FORTE2_AL2-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL3.pdb.gz looking for model 1 Skipped atom 30, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL3.pdb.gz Skipped atom 32, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL3.pdb.gz Skipped atom 34, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL3.pdb.gz Skipped atom 36, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL3.pdb.gz # WARNING: incomplete conformation T0348 can't currently be optimized by undertaker # naming current conformation FORTE2_AL3 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_29956130.pdb -s /var/tmp/to_scwrl_29956130.seq -o /var/tmp/from_scwrl_29956130.pdb > /var/tmp/scwrl_29956130.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_29956130.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 T0348 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE2_AL4 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_792620994.pdb -s /var/tmp/to_scwrl_792620994.seq -o /var/tmp/from_scwrl_792620994.pdb > /var/tmp/scwrl_792620994.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_792620994.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 T0348 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE2_AL5 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_115719886.pdb -s /var/tmp/to_scwrl_115719886.seq -o /var/tmp/from_scwrl_115719886.pdb > /var/tmp/scwrl_115719886.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_115719886.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 51 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_556782905.pdb -s /var/tmp/to_scwrl_556782905.seq -o /var/tmp/from_scwrl_556782905.pdb > /var/tmp/scwrl_556782905.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_556782905.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 65 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS2 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1038107948.pdb -s /var/tmp/to_scwrl_1038107948.seq -o /var/tmp/from_scwrl_1038107948.pdb > /var/tmp/scwrl_1038107948.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1038107948.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 67 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS3 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_2012844455.pdb -s /var/tmp/to_scwrl_2012844455.seq -o /var/tmp/from_scwrl_2012844455.pdb > /var/tmp/scwrl_2012844455.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2012844455.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 67 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS4 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_277110313.pdb -s /var/tmp/to_scwrl_277110313.seq -o /var/tmp/from_scwrl_277110313.pdb > /var/tmp/scwrl_277110313.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_277110313.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 53 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS5 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1146024078.pdb -s /var/tmp/to_scwrl_1146024078.seq -o /var/tmp/from_scwrl_1146024078.pdb > /var/tmp/scwrl_1146024078.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1146024078.pdb # conformation set from SCWRL output # naming current conformation FPSOLVER-SERVER_TS5-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS1.pdb.gz looking for model 1 # Found a chain break before 51 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_2087068910.pdb -s /var/tmp/to_scwrl_2087068910.seq -o /var/tmp/from_scwrl_2087068910.pdb > /var/tmp/scwrl_2087068910.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2087068910.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS1-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS2.pdb.gz looking for model 1 # Found a chain break before 42 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS2 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_2070885637.pdb -s /var/tmp/to_scwrl_2070885637.seq -o /var/tmp/from_scwrl_2070885637.pdb > /var/tmp/scwrl_2070885637.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2070885637.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS2-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS3.pdb.gz looking for model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS3 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_595789717.pdb -s /var/tmp/to_scwrl_595789717.seq -o /var/tmp/from_scwrl_595789717.pdb > /var/tmp/scwrl_595789717.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_595789717.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 # Found a chain break before 63 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS4 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_694627352.pdb -s /var/tmp/to_scwrl_694627352.seq -o /var/tmp/from_scwrl_694627352.pdb > /var/tmp/scwrl_694627352.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_694627352.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS4-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS5.pdb.gz looking for model 1 # Found a chain break before 52 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS5 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_368870128.pdb -s /var/tmp/to_scwrl_368870128.seq -o /var/tmp/from_scwrl_368870128.pdb > /var/tmp/scwrl_368870128.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_368870128.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 T0348 can't currently be optimized by undertaker # naming current conformation FUGUE_AL1 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_2026381455.pdb -s /var/tmp/to_scwrl_2026381455.seq -o /var/tmp/from_scwrl_2026381455.pdb > /var/tmp/scwrl_2026381455.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2026381455.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 T0348 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL2 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_255197028.pdb -s /var/tmp/to_scwrl_255197028.seq -o /var/tmp/from_scwrl_255197028.pdb > /var/tmp/scwrl_255197028.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_255197028.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 T0348 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL3 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_2035347317.pdb -s /var/tmp/to_scwrl_2035347317.seq -o /var/tmp/from_scwrl_2035347317.pdb > /var/tmp/scwrl_2035347317.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2035347317.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 T0348 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL4 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_2123432411.pdb -s /var/tmp/to_scwrl_2123432411.seq -o /var/tmp/from_scwrl_2123432411.pdb > /var/tmp/scwrl_2123432411.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2123432411.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 T0348 can't currently be optimized by undertaker # naming current conformation FUGUE_AL5 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_332478650.pdb -s /var/tmp/to_scwrl_332478650.seq -o /var/tmp/from_scwrl_332478650.pdb > /var/tmp/scwrl_332478650.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_332478650.pdb # conformation set from SCWRL output # naming current conformation FUGUE_AL5-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0348 can't currently be optimized by undertaker # naming current conformation FUNCTION_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_954324127.pdb -s /var/tmp/to_scwrl_954324127.seq -o /var/tmp/from_scwrl_954324127.pdb > /var/tmp/scwrl_954324127.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_954324127.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 67 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS2 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1395413891.pdb -s /var/tmp/to_scwrl_1395413891.seq -o /var/tmp/from_scwrl_1395413891.pdb > /var/tmp/scwrl_1395413891.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1395413891.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 63 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS3 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_795042688.pdb -s /var/tmp/to_scwrl_795042688.seq -o /var/tmp/from_scwrl_795042688.pdb > /var/tmp/scwrl_795042688.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_795042688.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 65 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS4 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_409566497.pdb -s /var/tmp/to_scwrl_409566497.seq -o /var/tmp/from_scwrl_409566497.pdb > /var/tmp/scwrl_409566497.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_409566497.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 61 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS5 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_108694644.pdb -s /var/tmp/to_scwrl_108694644.seq -o /var/tmp/from_scwrl_108694644.pdb > /var/tmp/scwrl_108694644.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_108694644.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS5-scwrl # ReadConformPDB reading from PDB file servers/Frankenstein_TS1.pdb.gz looking for model 1 # naming current conformation Frankenstein_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1463635280.pdb -s /var/tmp/to_scwrl_1463635280.seq -o /var/tmp/from_scwrl_1463635280.pdb > /var/tmp/scwrl_1463635280.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1463635280.pdb # conformation set from SCWRL output # naming current conformation Frankenstein_TS1-scwrl # ReadConformPDB reading from PDB file servers/Frankenstein_TS2.pdb.gz looking for model 1 # Found a chain break before 7 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS2 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1636875494.pdb -s /var/tmp/to_scwrl_1636875494.seq -o /var/tmp/from_scwrl_1636875494.pdb > /var/tmp/scwrl_1636875494.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1636875494.pdb # conformation set from SCWRL output # naming current conformation Frankenstein_TS2-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0348 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_647821238.pdb -s /var/tmp/to_scwrl_647821238.seq -o /var/tmp/from_scwrl_647821238.pdb > /var/tmp/scwrl_647821238.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_647821238.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS1-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS2.pdb.gz looking for model 1 # Found a chain break before 37 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS2 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1059350170.pdb -s /var/tmp/to_scwrl_1059350170.seq -o /var/tmp/from_scwrl_1059350170.pdb > /var/tmp/scwrl_1059350170.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1059350170.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 T0348 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS3 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_669294928.pdb -s /var/tmp/to_scwrl_669294928.seq -o /var/tmp/from_scwrl_669294928.pdb > /var/tmp/scwrl_669294928.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_669294928.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 T0348 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS4 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_457897609.pdb -s /var/tmp/to_scwrl_457897609.seq -o /var/tmp/from_scwrl_457897609.pdb > /var/tmp/scwrl_457897609.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_457897609.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 T0348 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS5 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_98576372.pdb -s /var/tmp/to_scwrl_98576372.seq -o /var/tmp/from_scwrl_98576372.pdb > /var/tmp/scwrl_98576372.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_98576372.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 57 # copying to AlignedFragments data structure # naming current conformation HHpred1_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_807914675.pdb -s /var/tmp/to_scwrl_807914675.seq -o /var/tmp/from_scwrl_807914675.pdb > /var/tmp/scwrl_807914675.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_807914675.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 57 # copying to AlignedFragments data structure # naming current conformation HHpred2_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_487853739.pdb -s /var/tmp/to_scwrl_487853739.seq -o /var/tmp/from_scwrl_487853739.pdb > /var/tmp/scwrl_487853739.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_487853739.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 # naming current conformation HHpred3_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_891197366.pdb -s /var/tmp/to_scwrl_891197366.seq -o /var/tmp/from_scwrl_891197366.pdb > /var/tmp/scwrl_891197366.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_891197366.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 T0348 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_923634562.pdb -s /var/tmp/to_scwrl_923634562.seq -o /var/tmp/from_scwrl_923634562.pdb > /var/tmp/scwrl_923634562.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_923634562.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 T0348 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS2 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1044636645.pdb -s /var/tmp/to_scwrl_1044636645.seq -o /var/tmp/from_scwrl_1044636645.pdb > /var/tmp/scwrl_1044636645.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1044636645.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 T0348 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS3 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1929305313.pdb -s /var/tmp/to_scwrl_1929305313.seq -o /var/tmp/from_scwrl_1929305313.pdb > /var/tmp/scwrl_1929305313.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1929305313.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 T0348 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS4 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_788995370.pdb -s /var/tmp/to_scwrl_788995370.seq -o /var/tmp/from_scwrl_788995370.pdb > /var/tmp/scwrl_788995370.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_788995370.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 T0348 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS5 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1321746957.pdb -s /var/tmp/to_scwrl_1321746957.seq -o /var/tmp/from_scwrl_1321746957.pdb > /var/tmp/scwrl_1321746957.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1321746957.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 T0348 can't currently be optimized by undertaker # naming current conformation LOOPP_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_927845746.pdb -s /var/tmp/to_scwrl_927845746.seq -o /var/tmp/from_scwrl_927845746.pdb > /var/tmp/scwrl_927845746.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_927845746.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 T0348 can't currently be optimized by undertaker # naming current conformation LOOPP_TS2 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_728580633.pdb -s /var/tmp/to_scwrl_728580633.seq -o /var/tmp/from_scwrl_728580633.pdb > /var/tmp/scwrl_728580633.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_728580633.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 T0348 can't currently be optimized by undertaker # naming current conformation LOOPP_TS3 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1245148948.pdb -s /var/tmp/to_scwrl_1245148948.seq -o /var/tmp/from_scwrl_1245148948.pdb > /var/tmp/scwrl_1245148948.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1245148948.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 T0348 can't currently be optimized by undertaker # naming current conformation LOOPP_TS4 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1523635462.pdb -s /var/tmp/to_scwrl_1523635462.seq -o /var/tmp/from_scwrl_1523635462.pdb > /var/tmp/scwrl_1523635462.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1523635462.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 T0348 can't currently be optimized by undertaker # naming current conformation LOOPP_TS5 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1423207985.pdb -s /var/tmp/to_scwrl_1423207985.seq -o /var/tmp/from_scwrl_1423207985.pdb > /var/tmp/scwrl_1423207985.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1423207985.pdb # conformation set from SCWRL output # naming current conformation LOOPP_TS5-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS1.pdb.gz looking for model 1 # Found a chain break before 63 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1614019076.pdb -s /var/tmp/to_scwrl_1614019076.seq -o /var/tmp/from_scwrl_1614019076.pdb > /var/tmp/scwrl_1614019076.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1614019076.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 32 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS2 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1402533271.pdb -s /var/tmp/to_scwrl_1402533271.seq -o /var/tmp/from_scwrl_1402533271.pdb > /var/tmp/scwrl_1402533271.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1402533271.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 55 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS3 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1678405013.pdb -s /var/tmp/to_scwrl_1678405013.seq -o /var/tmp/from_scwrl_1678405013.pdb > /var/tmp/scwrl_1678405013.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1678405013.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 60 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS4 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1501882746.pdb -s /var/tmp/to_scwrl_1501882746.seq -o /var/tmp/from_scwrl_1501882746.pdb > /var/tmp/scwrl_1501882746.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1501882746.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 # naming current conformation Ma-OPUS-server2_TS5 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1378482035.pdb -s /var/tmp/to_scwrl_1378482035.seq -o /var/tmp/from_scwrl_1378482035.pdb > /var/tmp/scwrl_1378482035.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1378482035.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 63 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_2010883664.pdb -s /var/tmp/to_scwrl_2010883664.seq -o /var/tmp/from_scwrl_2010883664.pdb > /var/tmp/scwrl_2010883664.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2010883664.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 38 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS2 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_308723226.pdb -s /var/tmp/to_scwrl_308723226.seq -o /var/tmp/from_scwrl_308723226.pdb > /var/tmp/scwrl_308723226.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_308723226.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 65 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS3 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_626412280.pdb -s /var/tmp/to_scwrl_626412280.seq -o /var/tmp/from_scwrl_626412280.pdb > /var/tmp/scwrl_626412280.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_626412280.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 60 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS4 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_658442705.pdb -s /var/tmp/to_scwrl_658442705.seq -o /var/tmp/from_scwrl_658442705.pdb > /var/tmp/scwrl_658442705.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_658442705.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 32 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS5 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_718289724.pdb -s /var/tmp/to_scwrl_718289724.seq -o /var/tmp/from_scwrl_718289724.pdb > /var/tmp/scwrl_718289724.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_718289724.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 51 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_735106925.pdb -s /var/tmp/to_scwrl_735106925.seq -o /var/tmp/from_scwrl_735106925.pdb > /var/tmp/scwrl_735106925.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_735106925.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 66 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS2 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_2122077985.pdb -s /var/tmp/to_scwrl_2122077985.seq -o /var/tmp/from_scwrl_2122077985.pdb > /var/tmp/scwrl_2122077985.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2122077985.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 67 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS3 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_207681571.pdb -s /var/tmp/to_scwrl_207681571.seq -o /var/tmp/from_scwrl_207681571.pdb > /var/tmp/scwrl_207681571.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_207681571.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 54 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS4 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1382928162.pdb -s /var/tmp/to_scwrl_1382928162.seq -o /var/tmp/from_scwrl_1382928162.pdb > /var/tmp/scwrl_1382928162.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1382928162.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 67 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS5 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1033944508.pdb -s /var/tmp/to_scwrl_1033944508.seq -o /var/tmp/from_scwrl_1033944508.pdb > /var/tmp/scwrl_1033944508.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1033944508.pdb # conformation set from SCWRL output # naming current conformation MetaTasser_TS5-scwrl # ReadConformPDB reading from PDB file servers/NN_PUT_lab_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0348 can't currently be optimized by undertaker # naming current conformation NN_PUT_lab_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_876976499.pdb -s /var/tmp/to_scwrl_876976499.seq -o /var/tmp/from_scwrl_876976499.pdb > /var/tmp/scwrl_876976499.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_876976499.pdb # conformation set from SCWRL output # naming current conformation NN_PUT_lab_TS1-scwrl # ReadConformPDB reading from PDB file servers/POMYSL_TS1.pdb.gz looking for model 1 # Found a chain break before 35 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1840825772.pdb -s /var/tmp/to_scwrl_1840825772.seq -o /var/tmp/from_scwrl_1840825772.pdb > /var/tmp/scwrl_1840825772.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1840825772.pdb # conformation set from SCWRL output # naming current conformation POMYSL_TS1-scwrl # ReadConformPDB reading from PDB file servers/POMYSL_TS2.pdb.gz looking for model 1 # Found a chain break before 41 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS2 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1132520879.pdb -s /var/tmp/to_scwrl_1132520879.seq -o /var/tmp/from_scwrl_1132520879.pdb > /var/tmp/scwrl_1132520879.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1132520879.pdb # conformation set from SCWRL output # naming current conformation POMYSL_TS2-scwrl # ReadConformPDB reading from PDB file servers/POMYSL_TS3.pdb.gz looking for model 1 # Found a chain break before 67 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS3 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1684891173.pdb -s /var/tmp/to_scwrl_1684891173.seq -o /var/tmp/from_scwrl_1684891173.pdb > /var/tmp/scwrl_1684891173.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1684891173.pdb # conformation set from SCWRL output # naming current conformation POMYSL_TS3-scwrl # ReadConformPDB reading from PDB file servers/POMYSL_TS4.pdb.gz looking for model 1 # Found a chain break before 65 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS4 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_181195864.pdb -s /var/tmp/to_scwrl_181195864.seq -o /var/tmp/from_scwrl_181195864.pdb > /var/tmp/scwrl_181195864.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_181195864.pdb # conformation set from SCWRL output # naming current conformation POMYSL_TS4-scwrl # ReadConformPDB reading from PDB file servers/POMYSL_TS5.pdb.gz looking for model 1 # Found a chain break before 39 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS5 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_2023718246.pdb -s /var/tmp/to_scwrl_2023718246.seq -o /var/tmp/from_scwrl_2023718246.pdb > /var/tmp/scwrl_2023718246.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2023718246.pdb # conformation set from SCWRL output # naming current conformation POMYSL_TS5-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 62 ; scwrl -i /var/tmp/to_scwrl_461042088.pdb -s /var/tmp/to_scwrl_461042088.seq -o /var/tmp/from_scwrl_461042088.pdb > /var/tmp/scwrl_461042088.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_461042088.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 62 ; scwrl -i /var/tmp/to_scwrl_1225832508.pdb -s /var/tmp/to_scwrl_1225832508.seq -o /var/tmp/from_scwrl_1225832508.pdb > /var/tmp/scwrl_1225832508.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1225832508.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 62 ; scwrl -i /var/tmp/to_scwrl_1805539912.pdb -s /var/tmp/to_scwrl_1805539912.seq -o /var/tmp/from_scwrl_1805539912.pdb > /var/tmp/scwrl_1805539912.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1805539912.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 62 ; scwrl -i /var/tmp/to_scwrl_1250037458.pdb -s /var/tmp/to_scwrl_1250037458.seq -o /var/tmp/from_scwrl_1250037458.pdb > /var/tmp/scwrl_1250037458.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1250037458.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 62 ; scwrl -i /var/tmp/to_scwrl_400095820.pdb -s /var/tmp/to_scwrl_400095820.seq -o /var/tmp/from_scwrl_400095820.pdb > /var/tmp/scwrl_400095820.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_400095820.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 37 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_585902011.pdb -s /var/tmp/to_scwrl_585902011.seq -o /var/tmp/from_scwrl_585902011.pdb > /var/tmp/scwrl_585902011.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_585902011.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 T0348 can't currently be optimized by undertaker # naming current conformation PROTINFO_TS2 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1978618091.pdb -s /var/tmp/to_scwrl_1978618091.seq -o /var/tmp/from_scwrl_1978618091.pdb > /var/tmp/scwrl_1978618091.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1978618091.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS2-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS3.pdb.gz looking for model 1 # Found a chain break before 46 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS3 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1645244768.pdb -s /var/tmp/to_scwrl_1645244768.seq -o /var/tmp/from_scwrl_1645244768.pdb > /var/tmp/scwrl_1645244768.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1645244768.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 37 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS4 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_2109537474.pdb -s /var/tmp/to_scwrl_2109537474.seq -o /var/tmp/from_scwrl_2109537474.pdb > /var/tmp/scwrl_2109537474.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2109537474.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 T0348 can't currently be optimized by undertaker # naming current conformation PROTINFO_TS5 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1254342429.pdb -s /var/tmp/to_scwrl_1254342429.seq -o /var/tmp/from_scwrl_1254342429.pdb > /var/tmp/scwrl_1254342429.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1254342429.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 T0348 can't currently be optimized by undertaker # naming current conformation Pcons6_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1111780197.pdb -s /var/tmp/to_scwrl_1111780197.seq -o /var/tmp/from_scwrl_1111780197.pdb > /var/tmp/scwrl_1111780197.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1111780197.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 T0348 can't currently be optimized by undertaker # naming current conformation Pcons6_TS2 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1364587098.pdb -s /var/tmp/to_scwrl_1364587098.seq -o /var/tmp/from_scwrl_1364587098.pdb > /var/tmp/scwrl_1364587098.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1364587098.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 T0348 can't currently be optimized by undertaker # naming current conformation Pcons6_TS3 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_785263797.pdb -s /var/tmp/to_scwrl_785263797.seq -o /var/tmp/from_scwrl_785263797.pdb > /var/tmp/scwrl_785263797.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_785263797.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 T0348 can't currently be optimized by undertaker # naming current conformation Pcons6_TS4 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_466179297.pdb -s /var/tmp/to_scwrl_466179297.seq -o /var/tmp/from_scwrl_466179297.pdb > /var/tmp/scwrl_466179297.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_466179297.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 T0348 can't currently be optimized by undertaker # naming current conformation Pcons6_TS5 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_595585487.pdb -s /var/tmp/to_scwrl_595585487.seq -o /var/tmp/from_scwrl_595585487.pdb > /var/tmp/scwrl_595585487.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_595585487.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 T0348 can't currently be optimized by undertaker # naming current conformation Phyre-1_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_648663814.pdb -s /var/tmp/to_scwrl_648663814.seq -o /var/tmp/from_scwrl_648663814.pdb > /var/tmp/scwrl_648663814.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_648663814.pdb # conformation set from SCWRL output # naming current conformation Phyre-1_TS1-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS1.pdb.gz looking for model 1 # Found a chain break before 65 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_774902524.pdb -s /var/tmp/to_scwrl_774902524.seq -o /var/tmp/from_scwrl_774902524.pdb > /var/tmp/scwrl_774902524.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_774902524.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS1-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS2.pdb.gz looking for model 1 # Found a chain break before 65 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS2 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1221997766.pdb -s /var/tmp/to_scwrl_1221997766.seq -o /var/tmp/from_scwrl_1221997766.pdb > /var/tmp/scwrl_1221997766.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1221997766.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS2-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS3.pdb.gz looking for model 1 # Found a chain break before 65 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS3 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1307106518.pdb -s /var/tmp/to_scwrl_1307106518.seq -o /var/tmp/from_scwrl_1307106518.pdb > /var/tmp/scwrl_1307106518.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1307106518.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 # naming current conformation Phyre-2_TS4 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1493192247.pdb -s /var/tmp/to_scwrl_1493192247.seq -o /var/tmp/from_scwrl_1493192247.pdb > /var/tmp/scwrl_1493192247.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1493192247.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS4-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS5.pdb.gz looking for model 1 # Found a chain break before 62 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS5 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1957104691.pdb -s /var/tmp/to_scwrl_1957104691.seq -o /var/tmp/from_scwrl_1957104691.pdb > /var/tmp/scwrl_1957104691.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1957104691.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 T0348 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1281700856.pdb -s /var/tmp/to_scwrl_1281700856.seq -o /var/tmp/from_scwrl_1281700856.pdb > /var/tmp/scwrl_1281700856.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1281700856.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 T0348 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS2 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1700873818.pdb -s /var/tmp/to_scwrl_1700873818.seq -o /var/tmp/from_scwrl_1700873818.pdb > /var/tmp/scwrl_1700873818.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1700873818.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 T0348 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS3 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1192549207.pdb -s /var/tmp/to_scwrl_1192549207.seq -o /var/tmp/from_scwrl_1192549207.pdb > /var/tmp/scwrl_1192549207.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1192549207.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 T0348 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS4 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_168161718.pdb -s /var/tmp/to_scwrl_168161718.seq -o /var/tmp/from_scwrl_168161718.pdb > /var/tmp/scwrl_168161718.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_168161718.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS4-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS5.pdb.gz looking for model 1 # Found a chain break before 45 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS5 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_430366670.pdb -s /var/tmp/to_scwrl_430366670.seq -o /var/tmp/from_scwrl_430366670.pdb > /var/tmp/scwrl_430366670.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_430366670.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 14 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_885891333.pdb -s /var/tmp/to_scwrl_885891333.seq -o /var/tmp/from_scwrl_885891333.pdb > /var/tmp/scwrl_885891333.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_885891333.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 25 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS2 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1300682597.pdb -s /var/tmp/to_scwrl_1300682597.seq -o /var/tmp/from_scwrl_1300682597.pdb > /var/tmp/scwrl_1300682597.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1300682597.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 55 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS3 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_2115257843.pdb -s /var/tmp/to_scwrl_2115257843.seq -o /var/tmp/from_scwrl_2115257843.pdb > /var/tmp/scwrl_2115257843.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2115257843.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 12 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS4 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1067087197.pdb -s /var/tmp/to_scwrl_1067087197.seq -o /var/tmp/from_scwrl_1067087197.pdb > /var/tmp/scwrl_1067087197.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1067087197.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 18 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS5 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1176917196.pdb -s /var/tmp/to_scwrl_1176917196.seq -o /var/tmp/from_scwrl_1176917196.pdb > /var/tmp/scwrl_1176917196.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1176917196.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 46 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_428816285.pdb -s /var/tmp/to_scwrl_428816285.seq -o /var/tmp/from_scwrl_428816285.pdb > /var/tmp/scwrl_428816285.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_428816285.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 44 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS2 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_145436059.pdb -s /var/tmp/to_scwrl_145436059.seq -o /var/tmp/from_scwrl_145436059.pdb > /var/tmp/scwrl_145436059.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_145436059.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 38 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS3 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_834973463.pdb -s /var/tmp/to_scwrl_834973463.seq -o /var/tmp/from_scwrl_834973463.pdb > /var/tmp/scwrl_834973463.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_834973463.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 67 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS4 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1678853743.pdb -s /var/tmp/to_scwrl_1678853743.seq -o /var/tmp/from_scwrl_1678853743.pdb > /var/tmp/scwrl_1678853743.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1678853743.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 42 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS5 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_545531879.pdb -s /var/tmp/to_scwrl_545531879.seq -o /var/tmp/from_scwrl_545531879.pdb > /var/tmp/scwrl_545531879.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_545531879.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 65 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1420875473.pdb -s /var/tmp/to_scwrl_1420875473.seq -o /var/tmp/from_scwrl_1420875473.pdb > /var/tmp/scwrl_1420875473.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1420875473.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 14 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS2 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1509988187.pdb -s /var/tmp/to_scwrl_1509988187.seq -o /var/tmp/from_scwrl_1509988187.pdb > /var/tmp/scwrl_1509988187.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1509988187.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 40 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS3 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_43293000.pdb -s /var/tmp/to_scwrl_43293000.seq -o /var/tmp/from_scwrl_43293000.pdb > /var/tmp/scwrl_43293000.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_43293000.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 37 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS4 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1382929300.pdb -s /var/tmp/to_scwrl_1382929300.seq -o /var/tmp/from_scwrl_1382929300.pdb > /var/tmp/scwrl_1382929300.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1382929300.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 51 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS5 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_616846971.pdb -s /var/tmp/to_scwrl_616846971.seq -o /var/tmp/from_scwrl_616846971.pdb > /var/tmp/scwrl_616846971.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_616846971.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 # naming current conformation ROBETTA_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1155073197.pdb -s /var/tmp/to_scwrl_1155073197.seq -o /var/tmp/from_scwrl_1155073197.pdb > /var/tmp/scwrl_1155073197.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1155073197.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 # naming current conformation ROBETTA_TS2 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_600032752.pdb -s /var/tmp/to_scwrl_600032752.seq -o /var/tmp/from_scwrl_600032752.pdb > /var/tmp/scwrl_600032752.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_600032752.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 45 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS3 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1402110767.pdb -s /var/tmp/to_scwrl_1402110767.seq -o /var/tmp/from_scwrl_1402110767.pdb > /var/tmp/scwrl_1402110767.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1402110767.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 45 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS4 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1621252494.pdb -s /var/tmp/to_scwrl_1621252494.seq -o /var/tmp/from_scwrl_1621252494.pdb > /var/tmp/scwrl_1621252494.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1621252494.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 # naming current conformation ROBETTA_TS5 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1195618238.pdb -s /var/tmp/to_scwrl_1195618238.seq -o /var/tmp/from_scwrl_1195618238.pdb > /var/tmp/scwrl_1195618238.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1195618238.pdb # conformation set from SCWRL output # naming current conformation ROBETTA_TS5-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0348 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_2050774581.pdb -s /var/tmp/to_scwrl_2050774581.seq -o /var/tmp/from_scwrl_2050774581.pdb > /var/tmp/scwrl_2050774581.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2050774581.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS1-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0348 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS2 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_248671371.pdb -s /var/tmp/to_scwrl_248671371.seq -o /var/tmp/from_scwrl_248671371.pdb > /var/tmp/scwrl_248671371.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_248671371.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS2-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0348 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS3 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_270132359.pdb -s /var/tmp/to_scwrl_270132359.seq -o /var/tmp/from_scwrl_270132359.pdb > /var/tmp/scwrl_270132359.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_270132359.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS3-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0348 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS4 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1210397452.pdb -s /var/tmp/to_scwrl_1210397452.seq -o /var/tmp/from_scwrl_1210397452.pdb > /var/tmp/scwrl_1210397452.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1210397452.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS4-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0348 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS5 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1741863618.pdb -s /var/tmp/to_scwrl_1741863618.seq -o /var/tmp/from_scwrl_1741863618.pdb > /var/tmp/scwrl_1741863618.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1741863618.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 T0348 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL1 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_79753403.pdb -s /var/tmp/to_scwrl_79753403.seq -o /var/tmp/from_scwrl_79753403.pdb > /var/tmp/scwrl_79753403.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_79753403.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 T0348 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL2 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_344614662.pdb -s /var/tmp/to_scwrl_344614662.seq -o /var/tmp/from_scwrl_344614662.pdb > /var/tmp/scwrl_344614662.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_344614662.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 T0348 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL3 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1295253789.pdb -s /var/tmp/to_scwrl_1295253789.seq -o /var/tmp/from_scwrl_1295253789.pdb > /var/tmp/scwrl_1295253789.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1295253789.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 T0348 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL4 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1272302610.pdb -s /var/tmp/to_scwrl_1272302610.seq -o /var/tmp/from_scwrl_1272302610.pdb > /var/tmp/scwrl_1272302610.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1272302610.pdb # conformation set from SCWRL output # naming current conformation SAM-T02_AL4-scwrl # ReadConformPDB reading from PDB file servers/SAM-T02_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0348 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL5 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_512776380.pdb -s /var/tmp/to_scwrl_512776380.seq -o /var/tmp/from_scwrl_512776380.pdb > /var/tmp/scwrl_512776380.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_512776380.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 T0348 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL1 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1725620459.pdb -s /var/tmp/to_scwrl_1725620459.seq -o /var/tmp/from_scwrl_1725620459.pdb > /var/tmp/scwrl_1725620459.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1725620459.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL1-scwrl # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS1.pdb.gz looking for model 1 # Found a chain break before 62 # copying to AlignedFragments data structure # naming current conformation SAM_T06_server_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_10710296.pdb -s /var/tmp/to_scwrl_10710296.seq -o /var/tmp/from_scwrl_10710296.pdb > /var/tmp/scwrl_10710296.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_10710296.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 T0348 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS2 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1813458978.pdb -s /var/tmp/to_scwrl_1813458978.seq -o /var/tmp/from_scwrl_1813458978.pdb > /var/tmp/scwrl_1813458978.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1813458978.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 T0348 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS3 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1693394656.pdb -s /var/tmp/to_scwrl_1693394656.seq -o /var/tmp/from_scwrl_1693394656.pdb > /var/tmp/scwrl_1693394656.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1693394656.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 T0348 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS4 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1077797493.pdb -s /var/tmp/to_scwrl_1077797493.seq -o /var/tmp/from_scwrl_1077797493.pdb > /var/tmp/scwrl_1077797493.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1077797493.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 T0348 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS5 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_842892528.pdb -s /var/tmp/to_scwrl_842892528.seq -o /var/tmp/from_scwrl_842892528.pdb > /var/tmp/scwrl_842892528.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_842892528.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 9 # copying to AlignedFragments data structure # naming current conformation SP3_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_2122210941.pdb -s /var/tmp/to_scwrl_2122210941.seq -o /var/tmp/from_scwrl_2122210941.pdb > /var/tmp/scwrl_2122210941.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2122210941.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 41 # copying to AlignedFragments data structure # naming current conformation SP3_TS2 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1223233552.pdb -s /var/tmp/to_scwrl_1223233552.seq -o /var/tmp/from_scwrl_1223233552.pdb > /var/tmp/scwrl_1223233552.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1223233552.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 9 # copying to AlignedFragments data structure # naming current conformation SP3_TS3 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1677865990.pdb -s /var/tmp/to_scwrl_1677865990.seq -o /var/tmp/from_scwrl_1677865990.pdb > /var/tmp/scwrl_1677865990.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1677865990.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 31 # copying to AlignedFragments data structure # naming current conformation SP3_TS4 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1653581037.pdb -s /var/tmp/to_scwrl_1653581037.seq -o /var/tmp/from_scwrl_1653581037.pdb > /var/tmp/scwrl_1653581037.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1653581037.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 34 # copying to AlignedFragments data structure # naming current conformation SP3_TS5 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1768765431.pdb -s /var/tmp/to_scwrl_1768765431.seq -o /var/tmp/from_scwrl_1768765431.pdb > /var/tmp/scwrl_1768765431.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1768765431.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 # naming current conformation SP4_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_951257818.pdb -s /var/tmp/to_scwrl_951257818.seq -o /var/tmp/from_scwrl_951257818.pdb > /var/tmp/scwrl_951257818.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_951257818.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 9 # copying to AlignedFragments data structure # naming current conformation SP4_TS2 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1016085578.pdb -s /var/tmp/to_scwrl_1016085578.seq -o /var/tmp/from_scwrl_1016085578.pdb > /var/tmp/scwrl_1016085578.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1016085578.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 35 # copying to AlignedFragments data structure # naming current conformation SP4_TS3 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1812058431.pdb -s /var/tmp/to_scwrl_1812058431.seq -o /var/tmp/from_scwrl_1812058431.pdb > /var/tmp/scwrl_1812058431.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1812058431.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 # naming current conformation SP4_TS4 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_186703471.pdb -s /var/tmp/to_scwrl_186703471.seq -o /var/tmp/from_scwrl_186703471.pdb > /var/tmp/scwrl_186703471.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_186703471.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 # naming current conformation SP4_TS5 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1632932548.pdb -s /var/tmp/to_scwrl_1632932548.seq -o /var/tmp/from_scwrl_1632932548.pdb > /var/tmp/scwrl_1632932548.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1632932548.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 48 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_819647982.pdb -s /var/tmp/to_scwrl_819647982.seq -o /var/tmp/from_scwrl_819647982.pdb > /var/tmp/scwrl_819647982.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_819647982.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 37 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS2 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_786736224.pdb -s /var/tmp/to_scwrl_786736224.seq -o /var/tmp/from_scwrl_786736224.pdb > /var/tmp/scwrl_786736224.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_786736224.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 36 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS3 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_887559669.pdb -s /var/tmp/to_scwrl_887559669.seq -o /var/tmp/from_scwrl_887559669.pdb > /var/tmp/scwrl_887559669.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_887559669.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 41 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS4 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_293416829.pdb -s /var/tmp/to_scwrl_293416829.seq -o /var/tmp/from_scwrl_293416829.pdb > /var/tmp/scwrl_293416829.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_293416829.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 43 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS5 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1982354462.pdb -s /var/tmp/to_scwrl_1982354462.seq -o /var/tmp/from_scwrl_1982354462.pdb > /var/tmp/scwrl_1982354462.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1982354462.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 T0348 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_790850603.pdb -s /var/tmp/to_scwrl_790850603.seq -o /var/tmp/from_scwrl_790850603.pdb > /var/tmp/scwrl_790850603.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_790850603.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 T0348 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS2 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_542088201.pdb -s /var/tmp/to_scwrl_542088201.seq -o /var/tmp/from_scwrl_542088201.pdb > /var/tmp/scwrl_542088201.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_542088201.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 T0348 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS3 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_105003174.pdb -s /var/tmp/to_scwrl_105003174.seq -o /var/tmp/from_scwrl_105003174.pdb > /var/tmp/scwrl_105003174.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_105003174.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 T0348 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS4 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_2001248055.pdb -s /var/tmp/to_scwrl_2001248055.seq -o /var/tmp/from_scwrl_2001248055.pdb > /var/tmp/scwrl_2001248055.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2001248055.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 T0348 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS5 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_136468172.pdb -s /var/tmp/to_scwrl_136468172.seq -o /var/tmp/from_scwrl_136468172.pdb > /var/tmp/scwrl_136468172.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_136468172.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_bnmx_TS5-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_expm_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0348 can't currently be optimized by undertaker # naming current conformation UNI-EID_expm_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_184756578.pdb -s /var/tmp/to_scwrl_184756578.seq -o /var/tmp/from_scwrl_184756578.pdb > /var/tmp/scwrl_184756578.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_184756578.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_expm_TS1-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0348 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL1 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_198379071.pdb -s /var/tmp/to_scwrl_198379071.seq -o /var/tmp/from_scwrl_198379071.pdb > /var/tmp/scwrl_198379071.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_198379071.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 T0348 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL2 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1431721962.pdb -s /var/tmp/to_scwrl_1431721962.seq -o /var/tmp/from_scwrl_1431721962.pdb > /var/tmp/scwrl_1431721962.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1431721962.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_sfst_AL2-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0348 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL3 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1457059188.pdb -s /var/tmp/to_scwrl_1457059188.seq -o /var/tmp/from_scwrl_1457059188.pdb > /var/tmp/scwrl_1457059188.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1457059188.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 T0348 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL4 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_711155451.pdb -s /var/tmp/to_scwrl_711155451.seq -o /var/tmp/from_scwrl_711155451.pdb > /var/tmp/scwrl_711155451.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_711155451.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_sfst_AL4-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0348 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL5 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1009858775.pdb -s /var/tmp/to_scwrl_1009858775.seq -o /var/tmp/from_scwrl_1009858775.pdb > /var/tmp/scwrl_1009858775.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1009858775.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_sfst_AL5-scwrl # ReadConformPDB reading from PDB file servers/Zhang-Server_TS1.pdb.gz looking for model 1 # Found a chain break before 55 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1467769485.pdb -s /var/tmp/to_scwrl_1467769485.seq -o /var/tmp/from_scwrl_1467769485.pdb > /var/tmp/scwrl_1467769485.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1467769485.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 60 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS2 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_377130782.pdb -s /var/tmp/to_scwrl_377130782.seq -o /var/tmp/from_scwrl_377130782.pdb > /var/tmp/scwrl_377130782.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_377130782.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 64 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS3 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_555769784.pdb -s /var/tmp/to_scwrl_555769784.seq -o /var/tmp/from_scwrl_555769784.pdb > /var/tmp/scwrl_555769784.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_555769784.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 54 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS4 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_398083332.pdb -s /var/tmp/to_scwrl_398083332.seq -o /var/tmp/from_scwrl_398083332.pdb > /var/tmp/scwrl_398083332.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_398083332.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 65 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS5 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1220023310.pdb -s /var/tmp/to_scwrl_1220023310.seq -o /var/tmp/from_scwrl_1220023310.pdb > /var/tmp/scwrl_1220023310.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1220023310.pdb # conformation set from SCWRL output # naming current conformation Zhang-Server_TS5-scwrl # ReadConformPDB reading from PDB file servers/beautshot_TS1.pdb.gz looking for model 1 # Found a chain break before 65 # copying to AlignedFragments data structure # naming current conformation beautshot_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_530497078.pdb -s /var/tmp/to_scwrl_530497078.seq -o /var/tmp/from_scwrl_530497078.pdb > /var/tmp/scwrl_530497078.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_530497078.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 T0348 can't currently be optimized by undertaker # naming current conformation beautshotbase_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1621316884.pdb -s /var/tmp/to_scwrl_1621316884.seq -o /var/tmp/from_scwrl_1621316884.pdb > /var/tmp/scwrl_1621316884.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1621316884.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 T0348 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation forecast-s_AL1 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_750405654.pdb -s /var/tmp/to_scwrl_750405654.seq -o /var/tmp/from_scwrl_750405654.pdb > /var/tmp/scwrl_750405654.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_750405654.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 T0348 can't currently be optimized by undertaker # naming current conformation forecast-s_AL2 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_36594468.pdb -s /var/tmp/to_scwrl_36594468.seq -o /var/tmp/from_scwrl_36594468.pdb > /var/tmp/scwrl_36594468.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_36594468.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 T0348 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation forecast-s_AL3 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1242598668.pdb -s /var/tmp/to_scwrl_1242598668.seq -o /var/tmp/from_scwrl_1242598668.pdb > /var/tmp/scwrl_1242598668.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1242598668.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 T0348 can't currently be optimized by undertaker # naming current conformation forecast-s_AL4 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1701663471.pdb -s /var/tmp/to_scwrl_1701663471.seq -o /var/tmp/from_scwrl_1701663471.pdb > /var/tmp/scwrl_1701663471.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1701663471.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 T0348 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation forecast-s_AL5 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1052680047.pdb -s /var/tmp/to_scwrl_1052680047.seq -o /var/tmp/from_scwrl_1052680047.pdb > /var/tmp/scwrl_1052680047.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1052680047.pdb # conformation set from SCWRL output # naming current conformation forecast-s_AL5-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS1.pdb.gz looking for model 1 # Found a chain break before 54 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_907173453.pdb -s /var/tmp/to_scwrl_907173453.seq -o /var/tmp/from_scwrl_907173453.pdb > /var/tmp/scwrl_907173453.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_907173453.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 58 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS2 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1888366943.pdb -s /var/tmp/to_scwrl_1888366943.seq -o /var/tmp/from_scwrl_1888366943.pdb > /var/tmp/scwrl_1888366943.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1888366943.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 42 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS3 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_538128948.pdb -s /var/tmp/to_scwrl_538128948.seq -o /var/tmp/from_scwrl_538128948.pdb > /var/tmp/scwrl_538128948.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_538128948.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 42 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS4 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1726821434.pdb -s /var/tmp/to_scwrl_1726821434.seq -o /var/tmp/from_scwrl_1726821434.pdb > /var/tmp/scwrl_1726821434.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1726821434.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 49 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS5 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_527619520.pdb -s /var/tmp/to_scwrl_527619520.seq -o /var/tmp/from_scwrl_527619520.pdb > /var/tmp/scwrl_527619520.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_527619520.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.2_TS5-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS1.pdb.gz looking for model 1 # Found a chain break before 65 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1425688617.pdb -s /var/tmp/to_scwrl_1425688617.seq -o /var/tmp/from_scwrl_1425688617.pdb > /var/tmp/scwrl_1425688617.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1425688617.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS1-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS3.pdb.gz looking for model 1 WARNING: atoms too close: (T0348)H65.O and (T0348)H66.N only 0.000 apart, marking (T0348)H66.N as missing # WARNING: incomplete conformation T0348 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS3 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_2020238263.pdb -s /var/tmp/to_scwrl_2020238263.seq -o /var/tmp/from_scwrl_2020238263.pdb > /var/tmp/scwrl_2020238263.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2020238263.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS3-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0348 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_362490335.pdb -s /var/tmp/to_scwrl_362490335.seq -o /var/tmp/from_scwrl_362490335.pdb > /var/tmp/scwrl_362490335.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_362490335.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 T0348 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS2 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_69055573.pdb -s /var/tmp/to_scwrl_69055573.seq -o /var/tmp/from_scwrl_69055573.pdb > /var/tmp/scwrl_69055573.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_69055573.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 T0348 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS3 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_414842817.pdb -s /var/tmp/to_scwrl_414842817.seq -o /var/tmp/from_scwrl_414842817.pdb > /var/tmp/scwrl_414842817.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_414842817.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 T0348 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS4 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_467493510.pdb -s /var/tmp/to_scwrl_467493510.seq -o /var/tmp/from_scwrl_467493510.pdb > /var/tmp/scwrl_467493510.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_467493510.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 T0348 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS5 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_2070303629.pdb -s /var/tmp/to_scwrl_2070303629.seq -o /var/tmp/from_scwrl_2070303629.pdb > /var/tmp/scwrl_2070303629.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2070303629.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 # naming current conformation keasar-server_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_551310990.pdb -s /var/tmp/to_scwrl_551310990.seq -o /var/tmp/from_scwrl_551310990.pdb > /var/tmp/scwrl_551310990.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_551310990.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 # naming current conformation keasar-server_TS2 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_652250088.pdb -s /var/tmp/to_scwrl_652250088.seq -o /var/tmp/from_scwrl_652250088.pdb > /var/tmp/scwrl_652250088.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_652250088.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 # naming current conformation keasar-server_TS3 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_121199053.pdb -s /var/tmp/to_scwrl_121199053.seq -o /var/tmp/from_scwrl_121199053.pdb > /var/tmp/scwrl_121199053.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_121199053.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 # naming current conformation keasar-server_TS4 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1983032952.pdb -s /var/tmp/to_scwrl_1983032952.seq -o /var/tmp/from_scwrl_1983032952.pdb > /var/tmp/scwrl_1983032952.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1983032952.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 # naming current conformation keasar-server_TS5 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_2109309276.pdb -s /var/tmp/to_scwrl_2109309276.seq -o /var/tmp/from_scwrl_2109309276.pdb > /var/tmp/scwrl_2109309276.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2109309276.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 T0348 can't currently be optimized by undertaker # naming current conformation mGen-3D_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_832354504.pdb -s /var/tmp/to_scwrl_832354504.seq -o /var/tmp/from_scwrl_832354504.pdb > /var/tmp/scwrl_832354504.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_832354504.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 T0348 can't currently be optimized by undertaker # naming current conformation nFOLD_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_845408080.pdb -s /var/tmp/to_scwrl_845408080.seq -o /var/tmp/from_scwrl_845408080.pdb > /var/tmp/scwrl_845408080.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_845408080.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 T0348 can't currently be optimized by undertaker # naming current conformation nFOLD_TS2 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1429595114.pdb -s /var/tmp/to_scwrl_1429595114.seq -o /var/tmp/from_scwrl_1429595114.pdb > /var/tmp/scwrl_1429595114.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1429595114.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 T0348 can't currently be optimized by undertaker # naming current conformation nFOLD_TS3 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1209485286.pdb -s /var/tmp/to_scwrl_1209485286.seq -o /var/tmp/from_scwrl_1209485286.pdb > /var/tmp/scwrl_1209485286.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1209485286.pdb # conformation set from SCWRL output # naming current conformation nFOLD_TS3-scwrl # ReadConformPDB reading from PDB file servers/nFOLD_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0348 can't currently be optimized by undertaker # naming current conformation nFOLD_TS4 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1401177864.pdb -s /var/tmp/to_scwrl_1401177864.seq -o /var/tmp/from_scwrl_1401177864.pdb > /var/tmp/scwrl_1401177864.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1401177864.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 T0348 can't currently be optimized by undertaker # naming current conformation nFOLD_TS5 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1827678446.pdb -s /var/tmp/to_scwrl_1827678446.seq -o /var/tmp/from_scwrl_1827678446.pdb > /var/tmp/scwrl_1827678446.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1827678446.pdb # conformation set from SCWRL output # naming current conformation nFOLD_TS5-scwrl # ReadConformPDB reading from PDB file servers/shub_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0348 can't currently be optimized by undertaker # naming current conformation shub_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_282024950.pdb -s /var/tmp/to_scwrl_282024950.seq -o /var/tmp/from_scwrl_282024950.pdb > /var/tmp/scwrl_282024950.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_282024950.pdb # conformation set from SCWRL output # naming current conformation shub_TS1-scwrl # command:CPU_time= 17.6733 sec, elapsed time= 51.1781 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 = 221.532 shub_TS1 costs 0 real_cost = 197.515 nFOLD_TS5-scwrl costs 0 real_cost = 292.182 nFOLD_TS5 costs 0 real_cost = 323.734 nFOLD_TS4-scwrl costs 0 real_cost = 321.379 nFOLD_TS4 costs 0 real_cost = 340.098 nFOLD_TS3-scwrl costs 0 real_cost = 318.323 nFOLD_TS3 costs 0 real_cost = 347.849 nFOLD_TS2-scwrl costs 0 real_cost = 272.81 nFOLD_TS2 costs 0 real_cost = 285.627 nFOLD_TS1-scwrl costs 0 real_cost = 337.537 nFOLD_TS1 costs 0 real_cost = 366.626 mGen-3D_TS1-scwrl costs 0 real_cost = 226.465 mGen-3D_TS1 costs 0 real_cost = 258.704 keasar-server_TS5-scwrl costs 0 real_cost = 162.993 keasar-server_TS5 costs 0 real_cost = 199.219 keasar-server_TS4-scwrl costs 0 real_cost = 168.317 keasar-server_TS4 costs 0 real_cost = 173.347 keasar-server_TS3-scwrl costs 0 real_cost = 180.143 keasar-server_TS3 costs 0 real_cost = 184.459 keasar-server_TS2-scwrl costs 0 real_cost = 125.051 keasar-server_TS2 costs 0 real_cost = 153.79 keasar-server_TS1-scwrl costs 0 real_cost = 146.103 keasar-server_TS1 costs 0 real_cost = 160.769 karypis.srv_TS5-scwrl costs 0 real_cost = 319.725 karypis.srv_TS5 costs 0 real_cost = 317.914 karypis.srv_TS4-scwrl costs 0 real_cost = 345.611 karypis.srv_TS4 costs 0 real_cost = 345.247 karypis.srv_TS3-scwrl costs 0 real_cost = 312.69 karypis.srv_TS3 costs 0 real_cost = 308.853 karypis.srv_TS2-scwrl costs 0 real_cost = 331.394 karypis.srv_TS2 costs 0 real_cost = 329.236 karypis.srv_TS1-scwrl costs 0 real_cost = 314.399 karypis.srv_TS1 costs 0 real_cost = 312.399 karypis.srv.4_TS3-scwrl costs 0 real_cost = 212.147 karypis.srv.4_TS3 costs 0 real_cost = 208.468 karypis.srv.4_TS1-scwrl costs 0 real_cost = 310.236 karypis.srv.4_TS1 costs 0 real_cost = 310.245 karypis.srv.2_TS5-scwrl costs 0 real_cost = 267.719 karypis.srv.2_TS5 costs 0 real_cost = 267.699 karypis.srv.2_TS4-scwrl costs 0 real_cost = 300.308 karypis.srv.2_TS4 costs 0 real_cost = 300.304 karypis.srv.2_TS3-scwrl costs 0 real_cost = 235.419 karypis.srv.2_TS3 costs 0 real_cost = 235.419 karypis.srv.2_TS2-scwrl costs 0 real_cost = 272.376 karypis.srv.2_TS2 costs 0 real_cost = 272.398 karypis.srv.2_TS1-scwrl costs 0 real_cost = 299.242 karypis.srv.2_TS1 costs 0 real_cost = 299.253 forecast-s_AL5-scwrl costs 0 real_cost = 302.742 forecast-s_AL5 costs 0 real_cost = 353.997 forecast-s_AL4-scwrl costs 0 real_cost = 338.916 forecast-s_AL4 costs 0 real_cost = 365.701 forecast-s_AL3-scwrl costs 0 real_cost = 273.967 forecast-s_AL3 costs 0 real_cost = 326.913 forecast-s_AL2-scwrl costs 0 real_cost = 302.28 forecast-s_AL2 costs 0 real_cost = 344.818 forecast-s_AL1-scwrl costs 0 real_cost = 307.453 forecast-s_AL1 costs 0 real_cost = 354.337 beautshotbase_TS1-scwrl costs 0 real_cost = 158.076 beautshotbase_TS1 costs 0 real_cost = 126.859 beautshot_TS1-scwrl costs 0 real_cost = 159.517 beautshot_TS1 costs 0 real_cost = 161.594 Zhang-Server_TS5-scwrl costs 0 real_cost = 195.006 Zhang-Server_TS5 costs 0 real_cost = 196.983 Zhang-Server_TS4-scwrl costs 0 real_cost = 254.944 Zhang-Server_TS4 costs 0 real_cost = 255.385 Zhang-Server_TS3-scwrl costs 0 real_cost = 152.365 Zhang-Server_TS3 costs 0 real_cost = 153.585 Zhang-Server_TS2-scwrl costs 0 real_cost = 157.238 Zhang-Server_TS2 costs 0 real_cost = 159.693 Zhang-Server_TS1-scwrl costs 0 real_cost = 192.317 Zhang-Server_TS1 costs 0 real_cost = 193.993 UNI-EID_sfst_AL5-scwrl costs 0 real_cost = 320.125 UNI-EID_sfst_AL5 costs 0 real_cost = 230.927 UNI-EID_sfst_AL4-scwrl costs 0 real_cost = 271.823 UNI-EID_sfst_AL4 costs 0 real_cost = 304.11 UNI-EID_sfst_AL3-scwrl costs 0 real_cost = 270.52 UNI-EID_sfst_AL3 costs 0 real_cost = 296.012 UNI-EID_sfst_AL2-scwrl costs 0 real_cost = 244.894 UNI-EID_sfst_AL2 costs 0 real_cost = 271.441 UNI-EID_sfst_AL1-scwrl costs 0 real_cost = 165.316 UNI-EID_sfst_AL1 costs 0 real_cost = 144.684 UNI-EID_expm_TS1-scwrl costs 0 real_cost = 120.97 UNI-EID_expm_TS1 costs 0 real_cost = 116.808 UNI-EID_bnmx_TS5-scwrl costs 0 real_cost = 123.659 UNI-EID_bnmx_TS5 costs 0 real_cost = 151.976 UNI-EID_bnmx_TS4-scwrl costs 0 real_cost = 214.918 UNI-EID_bnmx_TS4 costs 0 real_cost = 232.262 UNI-EID_bnmx_TS3-scwrl costs 0 real_cost = 238.841 UNI-EID_bnmx_TS3 costs 0 real_cost = 287.671 UNI-EID_bnmx_TS2-scwrl costs 0 real_cost = 186.229 UNI-EID_bnmx_TS2 costs 0 real_cost = 210.034 UNI-EID_bnmx_TS1-scwrl costs 0 real_cost = 194.632 UNI-EID_bnmx_TS1 costs 0 real_cost = 222.685 SPARKS2_TS5-scwrl costs 0 real_cost = 282.716 SPARKS2_TS5 costs 0 real_cost = 280.765 SPARKS2_TS4-scwrl costs 0 real_cost = 282.112 SPARKS2_TS4 costs 0 real_cost = 281.916 SPARKS2_TS3-scwrl costs 0 real_cost = 184.892 SPARKS2_TS3 costs 0 real_cost = 191.493 SPARKS2_TS2-scwrl costs 0 real_cost = 255.044 SPARKS2_TS2 costs 0 real_cost = 261.888 SPARKS2_TS1-scwrl costs 0 real_cost = 271.331 SPARKS2_TS1 costs 0 real_cost = 270.122 SP4_TS5-scwrl costs 0 real_cost = 290.902 SP4_TS5 costs 0 real_cost = 289.276 SP4_TS4-scwrl costs 0 real_cost = 188.591 SP4_TS4 costs 0 real_cost = 198.107 SP4_TS3-scwrl costs 0 real_cost = 121.359 SP4_TS3 costs 0 real_cost = 151.456 SP4_TS2-scwrl costs 0 real_cost = 232.557 SP4_TS2 costs 0 real_cost = 233.789 SP4_TS1-scwrl costs 0 real_cost = 272.248 SP4_TS1 costs 0 real_cost = 272.298 SP3_TS5-scwrl costs 0 real_cost = 161.093 SP3_TS5 costs 0 real_cost = 173.262 SP3_TS4-scwrl costs 0 real_cost = 153.878 SP3_TS4 costs 0 real_cost = 136.991 SP3_TS3-scwrl costs 0 real_cost = 232.557 SP3_TS3 costs 0 real_cost = 233.789 SP3_TS2-scwrl costs 0 real_cost = 180.317 SP3_TS2 costs 0 real_cost = 182.447 SP3_TS1-scwrl costs 0 real_cost = 266.76 SP3_TS1 costs 0 real_cost = 267.699 SAM_T06_server_TS5-scwrl costs 0 real_cost = 47.7797 SAM_T06_server_TS5 costs 0 real_cost = 34.2595 SAM_T06_server_TS4-scwrl costs 0 real_cost = 107.919 SAM_T06_server_TS4 costs 0 real_cost = 131.432 SAM_T06_server_TS3-scwrl costs 0 real_cost = 228.344 SAM_T06_server_TS3 costs 0 real_cost = 218.392 SAM_T06_server_TS2-scwrl costs 0 real_cost = 254.435 SAM_T06_server_TS2 costs 0 real_cost = 216.959 SAM_T06_server_TS1-scwrl costs 0 real_cost = 99.7882 SAM_T06_server_TS1 costs 0 real_cost = 92.6359 SAM-T99_AL1-scwrl costs 0 real_cost = 215.005 SAM-T99_AL1 costs 0 real_cost = 228.792 SAM-T02_AL5-scwrl costs 0 real_cost = 206.982 SAM-T02_AL5 costs 0 real_cost = 160.43 SAM-T02_AL4-scwrl costs 0 real_cost = 110.593 SAM-T02_AL4 costs 0 real_cost = 146.679 SAM-T02_AL3-scwrl costs 0 real_cost = 181.722 SAM-T02_AL3 costs 0 real_cost = 160.667 SAM-T02_AL2-scwrl costs 0 real_cost = 240.641 SAM-T02_AL2 costs 0 real_cost = 179.699 SAM-T02_AL1-scwrl costs 0 real_cost = 170.282 SAM-T02_AL1 costs 0 real_cost = 183.278 ROKKY_TS5-scwrl costs 0 real_cost = 205.913 ROKKY_TS5 costs 0 real_cost = 260.276 ROKKY_TS4-scwrl costs 0 real_cost = 117.245 ROKKY_TS4 costs 0 real_cost = 171.108 ROKKY_TS3-scwrl costs 0 real_cost = 101.249 ROKKY_TS3 costs 0 real_cost = 150.272 ROKKY_TS2-scwrl costs 0 real_cost = 121.39 ROKKY_TS2 costs 0 real_cost = 174.307 ROKKY_TS1-scwrl costs 0 real_cost = 147.89 ROKKY_TS1 costs 0 real_cost = 196.176 ROBETTA_TS5-scwrl costs 0 real_cost = 97.5429 ROBETTA_TS5 costs 0 real_cost = 96.9937 ROBETTA_TS4-scwrl costs 0 real_cost = 31.9029 ROBETTA_TS4 costs 0 real_cost = 27.8085 ROBETTA_TS3-scwrl costs 0 real_cost = 80.1225 ROBETTA_TS3 costs 0 real_cost = 77.8441 ROBETTA_TS2-scwrl costs 0 real_cost = 146.793 ROBETTA_TS2 costs 0 real_cost = 148.329 ROBETTA_TS1-scwrl costs 0 real_cost = 36.7532 ROBETTA_TS1 costs 0 real_cost = 31.3908 RAPTOR_TS5-scwrl costs 0 real_cost = 247.681 RAPTOR_TS5 costs 0 real_cost = 249.637 RAPTOR_TS4-scwrl costs 0 real_cost = 275.325 RAPTOR_TS4 costs 0 real_cost = 275.614 RAPTOR_TS3-scwrl costs 0 real_cost = 288.151 RAPTOR_TS3 costs 0 real_cost = 288.118 RAPTOR_TS2-scwrl costs 0 real_cost = 252.701 RAPTOR_TS2 costs 0 real_cost = 251.327 RAPTOR_TS1-scwrl costs 0 real_cost = 224.737 RAPTOR_TS1 costs 0 real_cost = 221.07 RAPTORESS_TS5-scwrl costs 0 real_cost = 286.876 RAPTORESS_TS5 costs 0 real_cost = 286.522 RAPTORESS_TS4-scwrl costs 0 real_cost = 268.797 RAPTORESS_TS4 costs 0 real_cost = 272.62 RAPTORESS_TS3-scwrl costs 0 real_cost = 255.895 RAPTORESS_TS3 costs 0 real_cost = 255.999 RAPTORESS_TS2-scwrl costs 0 real_cost = 217.616 RAPTORESS_TS2 costs 0 real_cost = 217.244 RAPTORESS_TS1-scwrl costs 0 real_cost = 276.092 RAPTORESS_TS1 costs 0 real_cost = 277.563 RAPTOR-ACE_TS5-scwrl costs 0 real_cost = 242.142 RAPTOR-ACE_TS5 costs 0 real_cost = 242.51 RAPTOR-ACE_TS4-scwrl costs 0 real_cost = 270.738 RAPTOR-ACE_TS4 costs 0 real_cost = 270.705 RAPTOR-ACE_TS3-scwrl costs 0 real_cost = 247.251 RAPTOR-ACE_TS3 costs 0 real_cost = 247.798 RAPTOR-ACE_TS2-scwrl costs 0 real_cost = 302.259 RAPTOR-ACE_TS2 costs 0 real_cost = 302.185 RAPTOR-ACE_TS1-scwrl costs 0 real_cost = 244.777 RAPTOR-ACE_TS1 costs 0 real_cost = 245.319 Pmodeller6_TS5-scwrl costs 0 real_cost = 80.1225 Pmodeller6_TS5 costs 0 real_cost = 77.8441 Pmodeller6_TS4-scwrl costs 0 real_cost = 118.704 Pmodeller6_TS4 costs 0 real_cost = 119.261 Pmodeller6_TS3-scwrl costs 0 real_cost = 133.831 Pmodeller6_TS3 costs 0 real_cost = 137.355 Pmodeller6_TS2-scwrl costs 0 real_cost = 129.809 Pmodeller6_TS2 costs 0 real_cost = 131.569 Pmodeller6_TS1-scwrl costs 0 real_cost = 47.2787 Pmodeller6_TS1 costs 0 real_cost = 57.669 Phyre-2_TS5-scwrl costs 0 real_cost = 247.191 Phyre-2_TS5 costs 0 real_cost = 245.619 Phyre-2_TS4-scwrl costs 0 real_cost = 179.2 Phyre-2_TS4 costs 0 real_cost = 180.979 Phyre-2_TS3-scwrl costs 0 real_cost = 237.378 Phyre-2_TS3 costs 0 real_cost = 237.833 Phyre-2_TS2-scwrl costs 0 real_cost = 202.051 Phyre-2_TS2 costs 0 real_cost = 198.349 Phyre-2_TS1-scwrl costs 0 real_cost = 160.545 Phyre-2_TS1 costs 0 real_cost = 162.662 Phyre-1_TS1-scwrl costs 0 real_cost = 190.749 Phyre-1_TS1 costs 0 real_cost = 189.597 Pcons6_TS5-scwrl costs 0 real_cost = 135.034 Pcons6_TS5 costs 0 real_cost = 130.61 Pcons6_TS4-scwrl costs 0 real_cost = 129.809 Pcons6_TS4 costs 0 real_cost = 131.569 Pcons6_TS3-scwrl costs 0 real_cost = 142.988 Pcons6_TS3 costs 0 real_cost = 131.099 Pcons6_TS2-scwrl costs 0 real_cost = 166.502 Pcons6_TS2 costs 0 real_cost = 162.979 Pcons6_TS1-scwrl costs 0 real_cost = 118.704 Pcons6_TS1 costs 0 real_cost = 119.261 PROTINFO_TS5-scwrl costs 0 real_cost = 225.477 PROTINFO_TS5 costs 0 real_cost = 229.168 PROTINFO_TS4-scwrl costs 0 real_cost = 131.138 PROTINFO_TS4 costs 0 real_cost = 138.741 PROTINFO_TS3-scwrl costs 0 real_cost = 167.921 PROTINFO_TS3 costs 0 real_cost = 165.114 PROTINFO_TS2-scwrl costs 0 real_cost = 161.949 PROTINFO_TS2 costs 0 real_cost = 177.005 PROTINFO_TS1-scwrl costs 0 real_cost = 116.784 PROTINFO_TS1 costs 0 real_cost = 122.297 PROTINFO-AB_TS5-scwrl costs 0 real_cost = 164.552 PROTINFO-AB_TS5 costs 0 real_cost = 169.775 PROTINFO-AB_TS4-scwrl costs 0 real_cost = 154.039 PROTINFO-AB_TS4 costs 0 real_cost = 155.001 PROTINFO-AB_TS3-scwrl costs 0 real_cost = 153.735 PROTINFO-AB_TS3 costs 0 real_cost = 152.225 PROTINFO-AB_TS2-scwrl costs 0 real_cost = 169.048 PROTINFO-AB_TS2 costs 0 real_cost = 167.933 PROTINFO-AB_TS1-scwrl costs 0 real_cost = 153.88 PROTINFO-AB_TS1 costs 0 real_cost = 154.017 POMYSL_TS5-scwrl costs 0 real_cost = 302.746 POMYSL_TS5 costs 0 real_cost = 302.84 POMYSL_TS4-scwrl costs 0 real_cost = 331.325 POMYSL_TS4 costs 0 real_cost = 331.569 POMYSL_TS3-scwrl costs 0 real_cost = 261.198 POMYSL_TS3 costs 0 real_cost = 263.367 POMYSL_TS2-scwrl costs 0 real_cost = 262.664 POMYSL_TS2 costs 0 real_cost = 297.887 POMYSL_TS1-scwrl costs 0 real_cost = 281.136 POMYSL_TS1 costs 0 real_cost = 281.506 NN_PUT_lab_TS1-scwrl costs 0 real_cost = 323.366 NN_PUT_lab_TS1 costs 0 real_cost = 363.516 MetaTasser_TS5-scwrl costs 0 real_cost = 183.549 MetaTasser_TS5 costs 0 real_cost = 167.898 MetaTasser_TS4-scwrl costs 0 real_cost = 132.587 MetaTasser_TS4 costs 0 real_cost = 152.719 MetaTasser_TS3-scwrl costs 0 real_cost = 203.596 MetaTasser_TS3 costs 0 real_cost = 188.069 MetaTasser_TS2-scwrl costs 0 real_cost = 192.215 MetaTasser_TS2 costs 0 real_cost = 190.725 MetaTasser_TS1-scwrl costs 0 real_cost = 159.241 MetaTasser_TS1 costs 0 real_cost = 163.86 Ma-OPUS-server_TS5-scwrl costs 0 real_cost = 276.468 Ma-OPUS-server_TS5 costs 0 real_cost = 276.986 Ma-OPUS-server_TS4-scwrl costs 0 real_cost = 276.758 Ma-OPUS-server_TS4 costs 0 real_cost = 277.354 Ma-OPUS-server_TS3-scwrl costs 0 real_cost = 291.06 Ma-OPUS-server_TS3 costs 0 real_cost = 292.653 Ma-OPUS-server_TS2-scwrl costs 0 real_cost = 249.81 Ma-OPUS-server_TS2 costs 0 real_cost = 251.971 Ma-OPUS-server_TS1-scwrl costs 0 real_cost = 270.319 Ma-OPUS-server_TS1 costs 0 real_cost = 273.945 Ma-OPUS-server2_TS5-scwrl costs 0 real_cost = 299.913 Ma-OPUS-server2_TS5 costs 0 real_cost = 298.293 Ma-OPUS-server2_TS4-scwrl costs 0 real_cost = 246.477 Ma-OPUS-server2_TS4 costs 0 real_cost = 248.656 Ma-OPUS-server2_TS3-scwrl costs 0 real_cost = 195.362 Ma-OPUS-server2_TS3 costs 0 real_cost = 199.341 Ma-OPUS-server2_TS2-scwrl costs 0 real_cost = 276.468 Ma-OPUS-server2_TS2 costs 0 real_cost = 276.986 Ma-OPUS-server2_TS1-scwrl costs 0 real_cost = 270.319 Ma-OPUS-server2_TS1 costs 0 real_cost = 273.945 LOOPP_TS5-scwrl costs 0 real_cost = 307.461 LOOPP_TS5 costs 0 real_cost = 307.114 LOOPP_TS4-scwrl costs 0 real_cost = 256.294 LOOPP_TS4 costs 0 real_cost = 254.004 LOOPP_TS3-scwrl costs 0 real_cost = 310.264 LOOPP_TS3 costs 0 real_cost = 309.913 LOOPP_TS2-scwrl costs 0 real_cost = 314.938 LOOPP_TS2 costs 0 real_cost = 310.188 LOOPP_TS1-scwrl costs 0 real_cost = 249.896 LOOPP_TS1 costs 0 real_cost = 253.188 Huber-Torda-Server_TS5-scwrl costs 0 real_cost = 779.666 Huber-Torda-Server_TS5 costs 0 real_cost = 782.666 Huber-Torda-Server_TS4-scwrl costs 0 real_cost = 779.666 Huber-Torda-Server_TS4 costs 0 real_cost = 782.666 Huber-Torda-Server_TS3-scwrl costs 0 real_cost = 779.666 Huber-Torda-Server_TS3 costs 0 real_cost = 782.666 Huber-Torda-Server_TS2-scwrl costs 0 real_cost = 779.666 Huber-Torda-Server_TS2 costs 0 real_cost = 782.666 Huber-Torda-Server_TS1-scwrl costs 0 real_cost = 779.666 Huber-Torda-Server_TS1 costs 0 real_cost = 782.666 HHpred3_TS1-scwrl costs 0 real_cost = 152.108 HHpred3_TS1 costs 0 real_cost = 148.95 HHpred2_TS1-scwrl costs 0 real_cost = 84.7568 HHpred2_TS1 costs 0 real_cost = 90.3558 HHpred1_TS1-scwrl costs 0 real_cost = 84.7568 HHpred1_TS1 costs 0 real_cost = 90.3558 GeneSilicoMetaServer_TS5-scwrl costs 0 real_cost = 228.464 GeneSilicoMetaServer_TS5 costs 0 real_cost = 208.954 GeneSilicoMetaServer_TS4-scwrl costs 0 real_cost = 121.212 GeneSilicoMetaServer_TS4 costs 0 real_cost = 107.35 GeneSilicoMetaServer_TS3-scwrl costs 0 real_cost = 166.013 GeneSilicoMetaServer_TS3 costs 0 real_cost = 127.736 GeneSilicoMetaServer_TS2-scwrl costs 0 real_cost = 93.0721 GeneSilicoMetaServer_TS2 costs 0 real_cost = 104.099 GeneSilicoMetaServer_TS1-scwrl costs 0 real_cost = 169.046 GeneSilicoMetaServer_TS1 costs 0 real_cost = 163.443 Frankenstein_TS2-scwrl costs 0 real_cost = 307.082 Frankenstein_TS2 costs 0 real_cost = 307.048 Frankenstein_TS1-scwrl costs 0 real_cost = 316.884 Frankenstein_TS1 costs 0 real_cost = 316.881 FUNCTION_TS5-scwrl costs 0 real_cost = 299.373 FUNCTION_TS5 costs 0 real_cost = 299.565 FUNCTION_TS4-scwrl costs 0 real_cost = 295.563 FUNCTION_TS4 costs 0 real_cost = 295.674 FUNCTION_TS3-scwrl costs 0 real_cost = 268.272 FUNCTION_TS3 costs 0 real_cost = 268.123 FUNCTION_TS2-scwrl costs 0 real_cost = 273.213 FUNCTION_TS2 costs 0 real_cost = 273.377 FUNCTION_TS1-scwrl costs 0 real_cost = 214.927 FUNCTION_TS1 costs 0 real_cost = 230.286 FUGUE_AL5-scwrl costs 0 real_cost = 285.58 FUGUE_AL5 costs 0 real_cost = 315.732 FUGUE_AL4-scwrl costs 0 real_cost = 337.183 FUGUE_AL4 costs 0 real_cost = 337.183 FUGUE_AL3-scwrl costs 0 real_cost = 370.577 FUGUE_AL3 costs 0 real_cost = 370.577 FUGUE_AL2-scwrl costs 0 real_cost = 329.869 FUGUE_AL2 costs 0 real_cost = 329.869 FUGUE_AL1-scwrl costs 0 real_cost = 323.366 FUGUE_AL1 costs 0 real_cost = 363.516 FUGMOD_TS5-scwrl costs 0 real_cost = 196.043 FUGMOD_TS5 costs 0 real_cost = 252.006 FUGMOD_TS4-scwrl costs 0 real_cost = 283.327 FUGMOD_TS4 costs 0 real_cost = 283.553 FUGMOD_TS3-scwrl costs 0 real_cost = 312.989 FUGMOD_TS3 costs 0 real_cost = 313.188 FUGMOD_TS2-scwrl costs 0 real_cost = 271.891 FUGMOD_TS2 costs 0 real_cost = 274.19 FUGMOD_TS1-scwrl costs 0 real_cost = 286.369 FUGMOD_TS1 costs 0 real_cost = 286.408 FPSOLVER-SERVER_TS5-scwrl costs 0 real_cost = 296.12 FPSOLVER-SERVER_TS5 costs 0 real_cost = 266.819 FPSOLVER-SERVER_TS4-scwrl costs 0 real_cost = 263.286 FPSOLVER-SERVER_TS4 costs 0 real_cost = 259.842 FPSOLVER-SERVER_TS3-scwrl costs 0 real_cost = 282.927 FPSOLVER-SERVER_TS3 costs 0 real_cost = 283.047 FPSOLVER-SERVER_TS2-scwrl costs 0 real_cost = 292.165 FPSOLVER-SERVER_TS2 costs 0 real_cost = 293.752 FPSOLVER-SERVER_TS1-scwrl costs 0 real_cost = 247.226 FPSOLVER-SERVER_TS1 costs 0 real_cost = 262.001 FORTE2_AL5-scwrl costs 0 real_cost = 238.206 FORTE2_AL5 costs 0 real_cost = 280.201 FORTE2_AL4-scwrl costs 0 real_cost = 332.8 FORTE2_AL4 costs 0 real_cost = 383.937 FORTE2_AL3-scwrl costs 0 real_cost = 318.763 FORTE2_AL3 costs 0 real_cost = 345.236 FORTE2_AL2-scwrl costs 0 real_cost = 387.696 FORTE2_AL2 costs 0 real_cost = 387.696 FORTE2_AL1-scwrl costs 0 real_cost = 306.923 FORTE2_AL1 costs 0 real_cost = 346.419 FORTE1_AL5-scwrl costs 0 real_cost = 282.085 FORTE1_AL5 costs 0 real_cost = 343.969 FORTE1_AL4-scwrl costs 0 real_cost = 332.8 FORTE1_AL4 costs 0 real_cost = 383.937 FORTE1_AL3-scwrl costs 0 real_cost = 387.696 FORTE1_AL3 costs 0 real_cost = 387.696 FORTE1_AL2-scwrl costs 0 real_cost = 318.763 FORTE1_AL2 costs 0 real_cost = 345.236 FORTE1_AL1-scwrl costs 0 real_cost = 306.923 FORTE1_AL1 costs 0 real_cost = 346.419 FOLDpro_TS5-scwrl costs 0 real_cost = 164.756 FOLDpro_TS5 costs 0 real_cost = 161.559 FOLDpro_TS4-scwrl costs 0 real_cost = 304.922 FOLDpro_TS4 costs 0 real_cost = 304.986 FOLDpro_TS3-scwrl costs 0 real_cost = 220.804 FOLDpro_TS3 costs 0 real_cost = 220.529 FOLDpro_TS2-scwrl costs 0 real_cost = 212.261 FOLDpro_TS2 costs 0 real_cost = 193.799 FOLDpro_TS1-scwrl costs 0 real_cost = 143.152 FOLDpro_TS1 costs 0 real_cost = 127.476 FAMS_TS5-scwrl costs 0 real_cost = 261.757 FAMS_TS5 costs 0 real_cost = 261.692 FAMS_TS4-scwrl costs 0 real_cost = 268.358 FAMS_TS4 costs 0 real_cost = 267.066 FAMS_TS3-scwrl costs 0 real_cost = 234.634 FAMS_TS3 costs 0 real_cost = 240.144 FAMS_TS2-scwrl costs 0 real_cost = 212.937 FAMS_TS2 costs 0 real_cost = 225.206 FAMS_TS1-scwrl costs 0 real_cost = 214.745 FAMS_TS1 costs 0 real_cost = 220.797 FAMSD_TS5-scwrl costs 0 real_cost = 242.307 FAMSD_TS5 costs 0 real_cost = 242.296 FAMSD_TS4-scwrl costs 0 real_cost = 317.74 FAMSD_TS4 costs 0 real_cost = 317.624 FAMSD_TS3-scwrl costs 0 real_cost = 284.306 FAMSD_TS3 costs 0 real_cost = 283.872 FAMSD_TS2-scwrl costs 0 real_cost = 158.964 FAMSD_TS2 costs 0 real_cost = 158.583 FAMSD_TS1-scwrl costs 0 real_cost = 237.051 FAMSD_TS1 costs 0 real_cost = 238.829 Distill_TS5-scwrl costs 0 real_cost = 306.808 Distill_TS4-scwrl costs 0 real_cost = 305.023 Distill_TS3-scwrl costs 0 real_cost = 301.866 Distill_TS2-scwrl costs 0 real_cost = 310.116 Distill_TS1-scwrl costs 0 real_cost = 310.025 CaspIta-FOX_TS5-scwrl costs 0 real_cost = 324.88 CaspIta-FOX_TS5 costs 0 real_cost = 300.938 CaspIta-FOX_TS4-scwrl costs 0 real_cost = 262.47 CaspIta-FOX_TS4 costs 0 real_cost = 268.959 CaspIta-FOX_TS3-scwrl costs 0 real_cost = 136.533 CaspIta-FOX_TS3 costs 0 real_cost = 133.64 CaspIta-FOX_TS2-scwrl costs 0 real_cost = 335.119 CaspIta-FOX_TS2 costs 0 real_cost = 335.121 CaspIta-FOX_TS1-scwrl costs 0 real_cost = 368.121 CaspIta-FOX_TS1 costs 0 real_cost = 369.466 CIRCLE_TS5-scwrl costs 0 real_cost = 239.415 CIRCLE_TS5 costs 0 real_cost = 234.065 CIRCLE_TS4-scwrl costs 0 real_cost = 224.212 CIRCLE_TS4 costs 0 real_cost = 227.191 CIRCLE_TS3-scwrl costs 0 real_cost = 268.358 CIRCLE_TS3 costs 0 real_cost = 267.066 CIRCLE_TS2-scwrl costs 0 real_cost = 234.634 CIRCLE_TS2 costs 0 real_cost = 240.144 CIRCLE_TS1-scwrl costs 0 real_cost = 212.937 CIRCLE_TS1 costs 0 real_cost = 225.206 Bilab-ENABLE_TS5-scwrl costs 0 real_cost = 286.095 Bilab-ENABLE_TS5 costs 0 real_cost = 286.095 Bilab-ENABLE_TS4-scwrl costs 0 real_cost = 291.772 Bilab-ENABLE_TS4 costs 0 real_cost = 291.821 Bilab-ENABLE_TS3-scwrl costs 0 real_cost = 289.001 Bilab-ENABLE_TS3 costs 0 real_cost = 289.001 Bilab-ENABLE_TS2-scwrl costs 0 real_cost = 290.96 Bilab-ENABLE_TS2 costs 0 real_cost = 290.962 Bilab-ENABLE_TS1-scwrl costs 0 real_cost = 281.783 Bilab-ENABLE_TS1 costs 0 real_cost = 281.809 BayesHH_TS1-scwrl costs 0 real_cost = 186.273 BayesHH_TS1 costs 0 real_cost = 187.256 ABIpro_TS5-scwrl costs 0 real_cost = 238.845 ABIpro_TS5 costs 0 real_cost = 238.842 ABIpro_TS4-scwrl costs 0 real_cost = 189.072 ABIpro_TS4 costs 0 real_cost = 189.065 ABIpro_TS3-scwrl costs 0 real_cost = 194.808 ABIpro_TS3 costs 0 real_cost = 194.808 ABIpro_TS2-scwrl costs 0 real_cost = 210.334 ABIpro_TS2 costs 0 real_cost = 210.32 ABIpro_TS1-scwrl costs 0 real_cost = 225.489 ABIpro_TS1 costs 0 real_cost = 225.51 3Dpro_TS5-scwrl costs 0 real_cost = 210.334 3Dpro_TS5 costs 0 real_cost = 210.32 3Dpro_TS4-scwrl costs 0 real_cost = 225.489 3Dpro_TS4 costs 0 real_cost = 225.51 3Dpro_TS3-scwrl costs 0 real_cost = 234.914 3Dpro_TS3 costs 0 real_cost = 239.127 3Dpro_TS2-scwrl costs 0 real_cost = 285.844 3Dpro_TS2 costs 0 real_cost = 287.51 3Dpro_TS1-scwrl costs 0 real_cost = 139.997 3Dpro_TS1 costs 0 real_cost = 185.235 3D-JIGSAW_TS5-scwrl costs 0 real_cost = 299.583 3D-JIGSAW_TS5 costs 0 real_cost = 303.576 3D-JIGSAW_TS4-scwrl costs 0 real_cost = 327.048 3D-JIGSAW_TS4 costs 0 real_cost = 309.292 3D-JIGSAW_TS3-scwrl costs 0 real_cost = 274.304 3D-JIGSAW_TS3 costs 0 real_cost = 275.724 3D-JIGSAW_TS2-scwrl costs 0 real_cost = 279.225 3D-JIGSAW_TS2 costs 0 real_cost = 268.368 3D-JIGSAW_TS1-scwrl costs 0 real_cost = 266.892 3D-JIGSAW_TS1 costs 0 real_cost = 268.248 3D-JIGSAW_RECOM_TS5-scwrl costs 0 real_cost = 252.571 3D-JIGSAW_RECOM_TS5 costs 0 real_cost = 256.978 3D-JIGSAW_RECOM_TS4-scwrl costs 0 real_cost = 248.398 3D-JIGSAW_RECOM_TS4 costs 0 real_cost = 252.285 3D-JIGSAW_RECOM_TS3-scwrl costs 0 real_cost = 264.928 3D-JIGSAW_RECOM_TS3 costs 0 real_cost = 268.428 3D-JIGSAW_RECOM_TS2-scwrl costs 0 real_cost = 263.726 3D-JIGSAW_RECOM_TS2 costs 0 real_cost = 263.705 3D-JIGSAW_RECOM_TS1-scwrl costs 0 real_cost = 266.012 3D-JIGSAW_RECOM_TS1 costs 0 real_cost = 269.686 3D-JIGSAW_POPULUS_TS5-scwrl costs 0 real_cost = 332.767 3D-JIGSAW_POPULUS_TS5 costs 0 real_cost = 332.74 3D-JIGSAW_POPULUS_TS4-scwrl costs 0 real_cost = 304.453 3D-JIGSAW_POPULUS_TS4 costs 0 real_cost = 304.776 3D-JIGSAW_POPULUS_TS3-scwrl costs 0 real_cost = 277.585 3D-JIGSAW_POPULUS_TS3 costs 0 real_cost = 277.585 3D-JIGSAW_POPULUS_TS2-scwrl costs 0 real_cost = 301.603 3D-JIGSAW_POPULUS_TS2 costs 0 real_cost = 301.603 3D-JIGSAW_POPULUS_TS1-scwrl costs 0 real_cost = 312.266 3D-JIGSAW_POPULUS_TS1 costs 0 real_cost = 312.266 chimera-M1-K60-2-8.pdb.gz costs 0 real_cost = 80.3031 T0348.try9-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 123.098 T0348.try9-opt2.pdb.gz costs 0 real_cost = 130.075 T0348.try9-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = 127.269 T0348.try9-opt2.gromacs0.pdb.gz costs 0 real_cost = 128.867 T0348.try9-opt1.pdb.gz costs 0 real_cost = 132.29 T0348.try9-opt1-scwrl.pdb.gz costs 0 real_cost = 128.457 T0348.try8-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 101.991 T0348.try8-opt2.pdb.gz costs 0 real_cost = 104.182 T0348.try8-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = 104.624 T0348.try8-opt2.gromacs0.pdb.gz costs 0 real_cost = 108.973 T0348.try8-opt1.pdb.gz costs 0 real_cost = 105.427 T0348.try8-opt1-scwrl.pdb.gz costs 0 real_cost = 101.406 T0348.try7-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 173.869 T0348.try7-opt2.pdb.gz costs 0 real_cost = 175.272 T0348.try7-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = 170.454 T0348.try7-opt2.gromacs0.pdb.gz costs 0 real_cost = 177.405 T0348.try7-opt1.pdb.gz costs 0 real_cost = 177.027 T0348.try7-opt1-scwrl.pdb.gz costs 0 real_cost = 175.182 T0348.try6-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 85.8493 T0348.try6-opt2.pdb.gz costs 0 real_cost = 87.4076 T0348.try6-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = 84.4722 T0348.try6-opt2.gromacs0.pdb.gz costs 0 real_cost = 90.6604 T0348.try6-opt1.pdb.gz costs 0 real_cost = 86.255 T0348.try6-opt1-scwrl.pdb.gz costs 0 real_cost = 80.7445 T0348.try4-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 81.7691 T0348.try4-opt2.pdb.gz costs 0 real_cost = 85.6897 T0348.try4-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = 83.1544 T0348.try4-opt2.gromacs0.pdb.gz costs 0 real_cost = 88.0344 T0348.try4-opt1.pdb.gz costs 0 real_cost = 87.6405 T0348.try4-opt1-scwrl.pdb.gz costs 0 real_cost = 87.5626 T0348.try3-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 112.096 T0348.try3-opt2.pdb.gz costs 0 real_cost = 113.614 T0348.try3-opt2.gromacs0.pdb.gz costs 0 real_cost = 114.112 T0348.try3-opt1.pdb.gz costs 0 real_cost = 111.587 T0348.try3-opt1-scwrl.pdb.gz costs 0 real_cost = 112.201 T0348.try21-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 72.8172 T0348.try21-opt2.pdb.gz costs 0 real_cost = 76.3222 T0348.try21-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = 80.3776 T0348.try21-opt2.gromacs0.pdb.gz costs 0 real_cost = 81.5947 T0348.try21-opt1.pdb.gz costs 0 real_cost = 78.1244 T0348.try21-opt1-scwrl.pdb.gz costs 0 real_cost = 77.4833 T0348.try20-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 78.4588 T0348.try20-opt2.pdb.gz costs 0 real_cost = 83.1316 T0348.try20-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = 79.047 T0348.try20-opt2.gromacs0.pdb.gz costs 0 real_cost = 78.8928 T0348.try20-opt1.pdb.gz costs 0 real_cost = 84.0729 T0348.try20-opt1-scwrl.pdb.gz costs 0 real_cost = 84.6039 T0348.try2-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 105.745 T0348.try2-opt2.pdb.gz costs 0 real_cost = 105.585 T0348.try2-opt2.gromacs0.pdb.gz costs 0 real_cost = 100.763 T0348.try2-opt1.pdb.gz costs 0 real_cost = 111.94 T0348.try2-opt1-scwrl.pdb.gz costs 0 real_cost = 102.565 T0348.try19-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 82.2661 T0348.try19-opt2.pdb.gz costs 0 real_cost = 85.9396 T0348.try19-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = 85.9181 T0348.try19-opt2.gromacs0.pdb.gz costs 0 real_cost = 90.2331 T0348.try19-opt1.pdb.gz costs 0 real_cost = 85.8234 T0348.try19-opt1-scwrl.pdb.gz costs 0 real_cost = 83.4919 T0348.try18-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 82.6064 T0348.try18-opt2.pdb.gz costs 0 real_cost = 82.1193 T0348.try18-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = 81.191 T0348.try18-opt2.gromacs0.pdb.gz costs 0 real_cost = 80.826 T0348.try18-opt1.pdb.gz costs 0 real_cost = 81.4624 T0348.try18-opt1-scwrl.pdb.gz costs 0 real_cost = 81.4583 T0348.try17-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 80.2036 T0348.try17-opt2.pdb.gz costs 0 real_cost = 84.0574 T0348.try17-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = 83.0853 T0348.try17-opt2.gromacs0.pdb.gz costs 0 real_cost = 88.1437 T0348.try17-opt1.pdb.gz costs 0 real_cost = 86.8658 T0348.try17-opt1-scwrl.pdb.gz costs 0 real_cost = 83.7824 T0348.try16-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 147.581 T0348.try16-opt2.pdb.gz costs 0 real_cost = 151.79 T0348.try16-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = 129.408 T0348.try16-opt2.gromacs0.pdb.gz costs 0 real_cost = 148.424 T0348.try16-opt1.pdb.gz costs 0 real_cost = 166.628 T0348.try16-opt1-scwrl.pdb.gz costs 0 real_cost = 163.258 T0348.try15-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 83.2172 T0348.try15-opt2.pdb.gz costs 0 real_cost = 88.9368 T0348.try15-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = 86.8231 T0348.try15-opt2.gromacs0.pdb.gz costs 0 real_cost = 92.0727 T0348.try15-opt1.pdb.gz costs 0 real_cost = 86.5614 T0348.try15-opt1-scwrl.pdb.gz costs 0 real_cost = 85.6571 T0348.try14-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 130.402 T0348.try14-opt2.pdb.gz costs 0 real_cost = 124.269 T0348.try14-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = 99.8456 T0348.try14-opt2.gromacs0.pdb.gz costs 0 real_cost = 132.732 T0348.try14-opt1.pdb.gz costs 0 real_cost = 103.636 T0348.try14-opt1-scwrl.pdb.gz costs 0 real_cost = 100.732 T0348.try13-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 56.2002 T0348.try13-opt2.pdb.gz costs 0 real_cost = 57.0712 T0348.try13-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = 52.2453 T0348.try13-opt2.gromacs0.pdb.gz costs 0 real_cost = 56.0084 T0348.try13-opt1.pdb.gz costs 0 real_cost = 56.6323 T0348.try13-opt1-scwrl.pdb.gz costs 0 real_cost = 58.171 T0348.try12-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 100.367 T0348.try12-opt2.pdb.gz costs 0 real_cost = 102.079 T0348.try12-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = 102.924 T0348.try12-opt2.gromacs0.pdb.gz costs 0 real_cost = 102.878 T0348.try12-opt1.pdb.gz costs 0 real_cost = 103.017 T0348.try12-opt1-scwrl.pdb.gz costs 0 real_cost = 100.103 T0348.try11-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 81.668 T0348.try11-opt2.pdb.gz costs 0 real_cost = 84.0102 T0348.try11-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = 78.7752 T0348.try11-opt2.gromacs0.pdb.gz costs 0 real_cost = 81.0146 T0348.try11-opt1.pdb.gz costs 0 real_cost = 80.4796 T0348.try11-opt1-scwrl.pdb.gz costs 0 real_cost = 80.4528 T0348.try10-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 56.312 T0348.try10-opt2.pdb.gz costs 0 real_cost = 57.2641 T0348.try10-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = 57.1362 T0348.try10-opt2.gromacs0.pdb.gz costs 0 real_cost = 58.4295 T0348.try10-opt1.pdb.gz costs 0 real_cost = 54.5762 T0348.try10-opt1-scwrl.pdb.gz costs 0 real_cost = 55.9399 T0348.try1-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 78.1354 T0348.try1-opt2.pdb.gz costs 0 real_cost = 80.3283 T0348.try1-opt2.gromacs0.pdb.gz costs 0 real_cost = 80.2981 T0348.try1-opt1.pdb.gz costs 0 real_cost = 83.7016 T0348.try1-opt1-scwrl.pdb.gz costs 0 real_cost = 89.7074 ../model5.ts-submitted costs 0 real_cost = 113.604 ../model4.ts-submitted costs 0 real_cost = 76.3324 ../model3.ts-submitted costs 0 real_cost = 85.568 ../model2.ts-submitted costs 0 real_cost = 78.306 ../model1.ts-submitted costs 0 real_cost = 83.4453 align5 costs 0 real_cost = 212.324 align4 costs 0 real_cost = 149.13 align3 costs 0 real_cost = 32.2165 align2 costs 0 real_cost = 174.368 align1 costs 0 real_cost = 218.094 T0348.try1-opt2.pdb costs 0 real_cost = 80.3282 model5-scwrl costs 0 real_cost = 110.151 model5.ts-submitted costs 0 real_cost = 113.604 model4-scwrl costs 0 real_cost = 76.3277 model4.ts-submitted costs 0 real_cost = 76.3324 model3-scwrl costs 0 real_cost = 83.2381 model3.ts-submitted costs 0 real_cost = 85.568 model2-scwrl costs 0 real_cost = 78.2326 model2.ts-submitted costs 0 real_cost = 78.306 model1-scwrl costs 0 real_cost = 83.09 model1.ts-submitted costs 0 real_cost = 83.4453 2hf1A costs 0 real_cost = -879 # command:CPU_time= 69.1705 sec, elapsed time= 102.975 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