/projects/compbio/experiments/protein-predict/casp7/starter-directory/Make.main:725: SECONDARY_TARGET = T0318.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/T0318.} ;\ 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/T0318/ -e s/START_COL/1/ \ -e s/REAL_PDB/2hb6A/ \ -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 1174706652 # 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= 5.84911 sec, elapsed time= 5.87828 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= 5.9271 sec, elapsed time= 5.96899 sec) # command:# Prefix for input files set to # command:# Making conformation for sequence T0318 numbered 1 through 491 Created new target T0318 from T0318.a2m # command:# command:# No conformations to remove in PopConform # command:# cleared Id set # command:# command:2hb6A expands to /projects/compbio/data/pdb/2hb6.pdb.gz 2hb6A:Skipped atom 10, because occupancy 5.0000000e-01 <= existing 0.500 in 2hb6A Skipped atom 14, because occupancy 0.500 <= existing 0.500 in 2hb6A Skipped atom 16, because occupancy 0.500 <= existing 0.500 in 2hb6A Skipped atom 18, because occupancy 0.500 <= existing 0.500 in 2hb6A Skipped atom 20, because occupancy 0.500 <= existing 0.500 in 2hb6A Skipped atom 22, because occupancy 0.500 <= existing 0.500 in 2hb6A Skipped atom 265, because occupancy 0.500 <= existing 0.500 in 2hb6A Skipped atom 269, because occupancy 0.500 <= existing 0.500 in 2hb6A Skipped atom 271, because occupancy 0.500 <= existing 0.500 in 2hb6A Skipped atom 273, because occupancy 0.500 <= existing 0.500 in 2hb6A Skipped atom 275, because occupancy 0.500 <= existing 0.500 in 2hb6A Skipped atom 277, because occupancy 0.500 <= existing 0.500 in 2hb6A Skipped atom 321, because occupancy 0.500 <= existing 0.500 in 2hb6A Skipped atom 325, because occupancy 0.500 <= existing 0.500 in 2hb6A Skipped atom 327, because occupancy 0.500 <= existing 0.500 in 2hb6A Skipped atom 329, because occupancy 0.500 <= existing 0.500 in 2hb6A Skipped atom 331, because occupancy 0.500 <= existing 0.500 in 2hb6A Skipped atom 333, because occupancy 0.500 <= existing 0.500 in 2hb6A Skipped atom 457, because occupancy 0.500 <= existing 0.500 in 2hb6A Skipped atom 461, because occupancy 0.500 <= existing 0.500 in 2hb6A Skipped atom 463, because occupancy 0.500 <= existing 0.500 in 2hb6A Skipped atom 465, because occupancy 0.500 <= existing 0.500 in 2hb6A Skipped atom 467, because occupancy 0.500 <= existing 0.500 in 2hb6A Skipped atom 1142, because occupancy 0.500 <= existing 0.500 in 2hb6A Skipped atom 1146, because occupancy 0.500 <= existing 0.500 in 2hb6A Skipped atom 1148, because occupancy 0.500 <= existing 0.500 in 2hb6A Skipped atom 1150, because occupancy 0.500 <= existing 0.500 in 2hb6A Skipped atom 1152, because occupancy 0.500 <= existing 0.500 in 2hb6A Skipped atom 2213, because occupancy 0.500 <= existing 0.500 in 2hb6A Skipped atom 2217, because occupancy 0.500 <= existing 0.500 in 2hb6A Skipped atom 2219, because occupancy 0.500 <= existing 0.500 in 2hb6A Skipped atom 2221, because occupancy 0.500 <= existing 0.500 in 2hb6A Skipped atom 2223, because occupancy 0.500 <= existing 0.500 in 2hb6A Skipped atom 2225, because occupancy 0.500 <= existing 0.500 in 2hb6A Skipped atom 2558, because occupancy 0.500 <= existing 0.500 in 2hb6A Skipped atom 2562, because occupancy 0.500 <= existing 0.500 in 2hb6A Skipped atom 2564, because occupancy 0.500 <= existing 0.500 in 2hb6A Skipped atom 2566, because occupancy 0.500 <= existing 0.500 in 2hb6A Skipped atom 2568, because occupancy 0.500 <= existing 0.500 in 2hb6A Skipped atom 2570, because occupancy 0.500 <= existing 0.500 in 2hb6A Skipped atom 2629, because occupancy 0.500 <= existing 0.500 in 2hb6A Skipped atom 2633, because occupancy 0.500 <= existing 0.500 in 2hb6A Skipped atom 2635, because occupancy 0.500 <= existing 0.500 in 2hb6A Skipped atom 2637, because occupancy 0.500 <= existing 0.500 in 2hb6A Skipped atom 2677, because occupancy 0.500 <= existing 0.500 in 2hb6A Skipped atom 2681, because occupancy 0.500 <= existing 0.500 in 2hb6A Skipped atom 2683, because occupancy 0.500 <= existing 0.500 in 2hb6A Skipped atom 2685, because occupancy 0.500 <= existing 0.500 in 2hb6A Skipped atom 2687, because occupancy 0.500 <= existing 0.500 in 2hb6A Skipped atom 2689, because occupancy 0.500 <= existing 0.500 in 2hb6A Skipped atom 2969, because occupancy 0.500 <= existing 0.500 in 2hb6A Skipped atom 2973, because occupancy 0.500 <= existing 0.500 in 2hb6A Skipped atom 2975, because occupancy 0.500 <= existing 0.500 in 2hb6A Skipped atom 2977, because occupancy 0.500 <= existing 0.500 in 2hb6A Skipped atom 2979, because occupancy 0.500 <= existing 0.500 in 2hb6A Skipped atom 2981, because occupancy 0.500 <= existing 0.500 in 2hb6A Skipped atom 3077, because occupancy 0.500 <= existing 0.500 in 2hb6A Skipped atom 3081, because occupancy 0.500 <= existing 0.500 in 2hb6A Skipped atom 3083, because occupancy 0.500 <= existing 0.500 in 2hb6A Skipped atom 3085, because occupancy 0.500 <= existing 0.500 in 2hb6A Skipped atom 3087, because occupancy 0.500 <= existing 0.500 in 2hb6A Skipped atom 3200, because occupancy 0.500 <= existing 0.500 in 2hb6A Skipped atom 3204, because occupancy 0.500 <= existing 0.500 in 2hb6A Skipped atom 3206, because occupancy 0.500 <= existing 0.500 in 2hb6A Skipped atom 3208, because occupancy 0.500 <= existing 0.500 in 2hb6A Skipped atom 3210, because occupancy 0.500 <= existing 0.500 in 2hb6A Skipped atom 3251, because occupancy 0.500 <= existing 0.500 in 2hb6A Skipped atom 3255, because occupancy 0.500 <= existing 0.500 in 2hb6A Skipped atom 3257, because occupancy 0.500 <= existing 0.500 in 2hb6A Skipped atom 3550, because occupancy 0.500 <= existing 0.500 in 2hb6A Skipped atom 3554, because occupancy 0.500 <= existing 0.500 in 2hb6A Skipped atom 3556, because occupancy 0.500 <= existing 0.500 in 2hb6A Skipped atom 3558, because occupancy 0.500 <= existing 0.500 in 2hb6A Skipped atom 3560, because occupancy 0.500 <= existing 0.500 in 2hb6A Skipped atom 3642, because occupancy 0.500 <= existing 0.500 in 2hb6A Skipped atom 3646, because occupancy 0.500 <= existing 0.500 in 2hb6A Skipped atom 3648, because occupancy 0.500 <= existing 0.500 in 2hb6A Skipped atom 3650, because occupancy 0.500 <= existing 0.500 in 2hb6A Read 489 residues and 3665 atoms. # choosing archetypes in rotamer library # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # copying to AlignedFragments data structure # command:# Saving current conformation as real # command:# Prefix for output files set to decoys/ # command:# SetRealCost created real_cost = # ( 50 * real_hbond + 50 * real_hbond_u + 50 * decoy_hbond + 50 * decoy_hbond_u + 10 * real_NO_hbond + 10 * real_NO_hbond_u + 10 * decoy_NO_hbond + 10 * decoy_NO_hbond_u + 10 * knot + 200 * clens + 0 * rmsd + 35 * log_rmsd + 0 * rmsd_ca + 30 * log_rmsd_ca + 1 * GDT + 1 * smooth_GDT + 0.2 * missing_atoms ) # command:# SetCost created cost = # ) # command:CPU_time= 10.3364 sec, elapsed time= 10.4453 sec) # command:# Prefix for input files set to # command:# ReadConformPDB reading from PDB file model1.ts-submitted looking for model 1 # Found a chain break before 478 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -49.4867 # GDT_score(maxd=8,maxw=2.9)= -50.175 # GDT_score(maxd=8,maxw=3.2)= -48.1433 # GDT_score(maxd=8,maxw=3.5)= -46.1436 # GDT_score(maxd=10,maxw=3.8)= -48.3127 # GDT_score(maxd=10,maxw=4)= -46.9691 # GDT_score(maxd=10,maxw=4.2)= -45.6242 # GDT_score(maxd=12,maxw=4.3)= -48.3612 # GDT_score(maxd=12,maxw=4.5)= -47.0145 # GDT_score(maxd=12,maxw=4.7)= -45.6518 # GDT_score(maxd=14,maxw=5.2)= -45.2034 # GDT_score(maxd=14,maxw=5.5)= -43.1918 # command:# Prefix for output files set to # command:superimposing iter= 0 total_weight= 5597.000 rmsd (weighted)= 12.769 (unweighted)= 14.648 superimposing iter= 1 total_weight= 17449.628 rmsd (weighted)= 4.695 (unweighted)= 15.050 superimposing iter= 2 total_weight= 10498.052 rmsd (weighted)= 2.526 (unweighted)= 15.409 superimposing iter= 3 total_weight= 7611.136 rmsd (weighted)= 1.665 (unweighted)= 15.621 superimposing iter= 4 total_weight= 5989.782 rmsd (weighted)= 1.269 (unweighted)= 15.719 superimposing iter= 5 total_weight= 4830.649 rmsd (weighted)= 1.089 (unweighted)= 15.764 # command:# Prefix for output files set to decoys/ # command:# request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_621586757.pdb -s /var/tmp/to_scwrl_621586757.seq -o /var/tmp/from_scwrl_621586757.pdb > /var/tmp/scwrl_621586757.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_621586757.pdb # conformation set from SCWRL output # command:# naming current conformation model1-scwrl # command:# ReadConformPDB reading from PDB file model2.ts-submitted looking for model 1 # Found a chain break before 478 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -52.5154 # GDT_score(maxd=8,maxw=2.9)= -54.024 # GDT_score(maxd=8,maxw=3.2)= -51.7936 # GDT_score(maxd=8,maxw=3.5)= -49.5206 # GDT_score(maxd=10,maxw=3.8)= -51.4421 # GDT_score(maxd=10,maxw=4)= -49.9574 # GDT_score(maxd=10,maxw=4.2)= -48.4456 # GDT_score(maxd=12,maxw=4.3)= -51.13 # GDT_score(maxd=12,maxw=4.5)= -49.6397 # GDT_score(maxd=12,maxw=4.7)= -48.157 # GDT_score(maxd=14,maxw=5.2)= -47.4489 # GDT_score(maxd=14,maxw=5.5)= -45.3549 # command:# request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_49316001.pdb -s /var/tmp/to_scwrl_49316001.seq -o /var/tmp/from_scwrl_49316001.pdb > /var/tmp/scwrl_49316001.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_49316001.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 478 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -54.4148 # GDT_score(maxd=8,maxw=2.9)= -55.6945 # GDT_score(maxd=8,maxw=3.2)= -53.3644 # GDT_score(maxd=8,maxw=3.5)= -51.0217 # GDT_score(maxd=10,maxw=3.8)= -53.2958 # GDT_score(maxd=10,maxw=4)= -51.7597 # GDT_score(maxd=10,maxw=4.2)= -50.212 # GDT_score(maxd=12,maxw=4.3)= -53.3688 # GDT_score(maxd=12,maxw=4.5)= -51.8258 # GDT_score(maxd=12,maxw=4.7)= -50.2905 # GDT_score(maxd=14,maxw=5.2)= -49.8691 # GDT_score(maxd=14,maxw=5.5)= -47.6551 # command:# request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1283580255.pdb -s /var/tmp/to_scwrl_1283580255.seq -o /var/tmp/from_scwrl_1283580255.pdb > /var/tmp/scwrl_1283580255.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1283580255.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 478 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -51.078 # GDT_score(maxd=8,maxw=2.9)= -52.6081 # GDT_score(maxd=8,maxw=3.2)= -50.411 # GDT_score(maxd=8,maxw=3.5)= -48.2034 # GDT_score(maxd=10,maxw=3.8)= -50.2195 # GDT_score(maxd=10,maxw=4)= -48.7782 # GDT_score(maxd=10,maxw=4.2)= -47.3152 # GDT_score(maxd=12,maxw=4.3)= -50.073 # GDT_score(maxd=12,maxw=4.5)= -48.6242 # GDT_score(maxd=12,maxw=4.7)= -47.1868 # GDT_score(maxd=14,maxw=5.2)= -46.6708 # GDT_score(maxd=14,maxw=5.5)= -44.6191 # command:# request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_771873354.pdb -s /var/tmp/to_scwrl_771873354.seq -o /var/tmp/from_scwrl_771873354.pdb > /var/tmp/scwrl_771873354.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_771873354.pdb # conformation set from SCWRL output # command:# naming current conformation model4-scwrl # command:# ReadConformPDB reading from PDB file model5.ts-submitted looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # command:# fraction of real conformation used = 0.932238 # GDT_score = -57.4435 # GDT_score(maxd=8,maxw=2.9)= -59.7802 # GDT_score(maxd=8,maxw=3.2)= -57.2952 # GDT_score(maxd=8,maxw=3.5)= -54.9 # GDT_score(maxd=10,maxw=3.8)= -56.9974 # GDT_score(maxd=10,maxw=4)= -55.4273 # GDT_score(maxd=10,maxw=4.2)= -53.8325 # GDT_score(maxd=12,maxw=4.3)= -56.7594 # GDT_score(maxd=12,maxw=4.5)= -55.1829 # GDT_score(maxd=12,maxw=4.7)= -53.5883 # GDT_score(maxd=14,maxw=5.2)= -52.7675 # GDT_score(maxd=14,maxw=5.5)= -50.429 # command:# request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1942852452.pdb -s /var/tmp/to_scwrl_1942852452.seq -o /var/tmp/from_scwrl_1942852452.pdb > /var/tmp/scwrl_1942852452.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1942852452.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 T0318.try1-opt2.pdb looking for model 1 # Found a chain break before 478 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -54.3121 # GDT_score(maxd=8,maxw=2.9)= -55.7006 # GDT_score(maxd=8,maxw=3.2)= -53.3728 # GDT_score(maxd=8,maxw=3.5)= -51.0312 # GDT_score(maxd=10,maxw=3.8)= -53.2926 # GDT_score(maxd=10,maxw=4)= -51.7585 # GDT_score(maxd=10,maxw=4.2)= -50.2115 # GDT_score(maxd=12,maxw=4.3)= -53.3701 # GDT_score(maxd=12,maxw=4.5)= -51.8273 # GDT_score(maxd=12,maxw=4.7)= -50.2911 # GDT_score(maxd=14,maxw=5.2)= -49.8711 # GDT_score(maxd=14,maxw=5.5)= -47.6571 # command:# Prefix for output files set to # command:superimposing iter= 0 total_weight= 5597.000 rmsd (weighted)= 9.440 (unweighted)= 11.673 superimposing iter= 1 total_weight= 21435.178 rmsd (weighted)= 3.083 (unweighted)= 11.768 superimposing iter= 2 total_weight= 11608.735 rmsd (weighted)= 1.628 (unweighted)= 11.830 superimposing iter= 3 total_weight= 6435.232 rmsd (weighted)= 1.197 (unweighted)= 11.866 superimposing iter= 4 total_weight= 4778.942 rmsd (weighted)= 1.032 (unweighted)= 11.890 superimposing iter= 5 total_weight= 4180.425 rmsd (weighted)= 0.956 (unweighted)= 11.905 # command:# Prefix for output files set to decoys/ # command:# Prefix for input files set to # command:# ReadConformPDB reading from PDB file T0318.undertaker-align.pdb looking for model 1 WARNING: atoms too close: (T0318)R58.C and (T0318)I59.C only 0.000 apart, marking (T0318)I59.C as missing WARNING: atoms too close: (T0318)I59.N and (T0318)P60.N only 0.000 apart, marking (T0318)I59.N as missing WARNING: atoms too close: (T0318)I59.CA and (T0318)P60.CA only 0.000 apart, marking (T0318)I59.CA as missing WARNING: atoms too close: (T0318)E96.C and (T0318)E104.C only 0.000 apart, marking (T0318)E104.C as missing WARNING: atoms too close: (T0318)L97.N and (T0318)D105.N only 0.000 apart, marking (T0318)L97.N as missing WARNING: atoms too close: (T0318)L97.CA and (T0318)D105.CA only 0.000 apart, marking (T0318)L97.CA as missing WARNING: atoms too close: (T0318)F134.C and (T0318)T138.C only 0.000 apart, marking (T0318)T138.C as missing WARNING: atoms too close: (T0318)S135.N and (T0318)S139.N only 0.000 apart, marking (T0318)S135.N as missing WARNING: atoms too close: (T0318)S135.CA and (T0318)S139.CA only 0.000 apart, marking (T0318)S135.CA as missing WARNING: atoms too close: (T0318)V150.C and (T0318)V151.C only 0.000 apart, marking (T0318)V151.C as missing WARNING: atoms too close: (T0318)V151.N and (T0318)C152.N only 0.000 apart, marking (T0318)V151.N as missing WARNING: atoms too close: (T0318)V151.CA and (T0318)C152.CA only 0.000 apart, marking (T0318)V151.CA as missing WARNING: atoms too close: (T0318)A348.C and (T0318)K349.C only 0.000 apart, marking (T0318)K349.C as missing WARNING: atoms too close: (T0318)K349.N and (T0318)E350.N only 0.000 apart, marking (T0318)K349.N as missing WARNING: atoms too close: (T0318)K349.CA and (T0318)E350.CA only 0.000 apart, marking (T0318)K349.CA as missing WARNING: atoms too close: (T0318)N425.C and (T0318)G427.C only 0.000 apart, marking (T0318)G427.C as missing WARNING: atoms too close: (T0318)L426.N and (T0318)K428.N only 0.000 apart, marking (T0318)L426.N as missing WARNING: atoms too close: (T0318)L426.CA and (T0318)K428.CA only 0.000 apart, marking (T0318)L426.CA as missing WARNING: atoms too close: (T0318)I445.C and (T0318)G448.C only 0.000 apart, marking (T0318)G448.C as missing WARNING: atoms too close: (T0318)G446.N and (T0318)E449.N only 0.000 apart, marking (T0318)G446.N as missing WARNING: atoms too close: (T0318)G446.CA and (T0318)E449.CA only 0.000 apart, marking (T0318)G446.CA as missing # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # command:# naming current conformation align1 # command:# fraction of real conformation used = 0.934292 # GDT_score = -57.5462 # GDT_score(maxd=8,maxw=2.9)= -59.797 # GDT_score(maxd=8,maxw=3.2)= -57.3109 # GDT_score(maxd=8,maxw=3.5)= -54.9169 # GDT_score(maxd=10,maxw=3.8)= -56.991 # GDT_score(maxd=10,maxw=4)= -55.4237 # GDT_score(maxd=10,maxw=4.2)= -53.8284 # GDT_score(maxd=12,maxw=4.3)= -56.7568 # GDT_score(maxd=12,maxw=4.5)= -55.1797 # GDT_score(maxd=12,maxw=4.7)= -53.5853 # GDT_score(maxd=14,maxw=5.2)= -52.774 # GDT_score(maxd=14,maxw=5.5)= -50.4716 # command:# ReadConformPDB reading from PDB file T0318.undertaker-align.pdb looking for model 2 WARNING: atoms too close: (T0318)N145.C and (T0318)N147.C only 0.000 apart, marking (T0318)N147.C as missing WARNING: atoms too close: (T0318)V146.N and (T0318)I148.N only 0.000 apart, marking (T0318)V146.N as missing WARNING: atoms too close: (T0318)V146.CA and (T0318)I148.CA only 0.000 apart, marking (T0318)V146.CA as missing WARNING: atoms too close: (T0318)A348.C and (T0318)K349.C only 0.000 apart, marking (T0318)K349.C as missing WARNING: atoms too close: (T0318)K349.N and (T0318)E350.N only 0.000 apart, marking (T0318)K349.N as missing WARNING: atoms too close: (T0318)K349.CA and (T0318)E350.CA only 0.000 apart, marking (T0318)K349.CA as missing WARNING: atoms too close: (T0318)G431.C and (T0318)P433.C only 0.000 apart, marking (T0318)P433.C as missing WARNING: atoms too close: (T0318)P432.N and (T0318)S434.N only 0.000 apart, marking (T0318)P432.N as missing WARNING: atoms too close: (T0318)P432.CA and (T0318)S434.CA only 0.000 apart, marking (T0318)P432.CA as missing WARNING: atoms too close: (T0318)I445.C and (T0318)G448.C only 0.000 apart, marking (T0318)G448.C as missing WARNING: atoms too close: (T0318)G446.N and (T0318)E449.N only 0.000 apart, marking (T0318)G446.N as missing WARNING: atoms too close: (T0318)G446.CA and (T0318)E449.CA only 0.000 apart, marking (T0318)G446.CA as missing # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # command:# naming current conformation align2 # command:# fraction of real conformation used = 0.952772 # GDT_score = -60.1129 # GDT_score(maxd=8,maxw=2.9)= -61.5008 # GDT_score(maxd=8,maxw=3.2)= -58.8491 # GDT_score(maxd=8,maxw=3.5)= -56.2783 # GDT_score(maxd=10,maxw=3.8)= -59.1021 # GDT_score(maxd=10,maxw=4)= -57.3728 # GDT_score(maxd=10,maxw=4.2)= -55.6017 # GDT_score(maxd=12,maxw=4.3)= -59.124 # GDT_score(maxd=12,maxw=4.5)= -57.3598 # GDT_score(maxd=12,maxw=4.7)= -55.5973 # GDT_score(maxd=14,maxw=5.2)= -54.9253 # GDT_score(maxd=14,maxw=5.5)= -52.4584 # command:# ReadConformPDB reading from PDB file T0318.undertaker-align.pdb looking for model 3 WARNING: atoms too close: (T0318)F162.C and (T0318)T164.C only 0.000 apart, marking (T0318)T164.C as missing WARNING: atoms too close: (T0318)L163.N and (T0318)D165.N only 0.000 apart, marking (T0318)L163.N as missing WARNING: atoms too close: (T0318)L163.CA and (T0318)D165.CA only 0.000 apart, marking (T0318)L163.CA as missing WARNING: atoms too close: (T0318)V240.C and (T0318)P241.C only 0.000 apart, marking (T0318)P241.C as missing WARNING: atoms too close: (T0318)P241.N and (T0318)G242.N only 0.000 apart, marking (T0318)P241.N as missing WARNING: atoms too close: (T0318)P241.CA and (T0318)G242.CA only 0.000 apart, marking (T0318)P241.CA as missing WARNING: atoms too close: (T0318)G253.C and (T0318)Q262.C only 0.000 apart, marking (T0318)Q262.C as missing WARNING: atoms too close: (T0318)V254.N and (T0318)I263.N only 0.000 apart, marking (T0318)V254.N as missing WARNING: atoms too close: (T0318)V254.CA and (T0318)I263.CA only 0.000 apart, marking (T0318)V254.CA as missing WARNING: atoms too close: (T0318)L363.C and (T0318)W369.C only 0.000 apart, marking (T0318)W369.C as missing WARNING: atoms too close: (T0318)T364.N and (T0318)L370.N only 0.000 apart, marking (T0318)T364.N as missing WARNING: atoms too close: (T0318)T364.CA and (T0318)L370.CA only 0.000 apart, marking (T0318)T364.CA as missing WARNING: atoms too close: (T0318)S434.C and (T0318)I441.C only 0.000 apart, marking (T0318)I441.C as missing WARNING: atoms too close: (T0318)A435.N and (T0318)G442.N only 0.000 apart, marking (T0318)A435.N as missing WARNING: atoms too close: (T0318)A435.CA and (T0318)G442.CA only 0.000 apart, marking (T0318)A435.CA as missing WARNING: atoms too close: (T0318)I445.C and (T0318)F447.C only 0.000 apart, marking (T0318)F447.C as missing WARNING: atoms too close: (T0318)G446.N and (T0318)G448.N only 0.000 apart, marking (T0318)G446.N as missing WARNING: atoms too close: (T0318)G446.CA and (T0318)G448.CA only 0.000 apart, marking (T0318)G446.CA as missing # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # command:# naming current conformation align3 # command:# ReadConformPDB reading from PDB file T0318.undertaker-align.pdb looking for model 4 WARNING: atoms too close: (T0318)F162.C and (T0318)T164.C only 0.000 apart, marking (T0318)T164.C as missing WARNING: atoms too close: (T0318)L163.N and (T0318)D165.N only 0.000 apart, marking (T0318)L163.N as missing WARNING: atoms too close: (T0318)L163.CA and (T0318)D165.CA only 0.000 apart, marking (T0318)L163.CA as missing WARNING: atoms too close: (T0318)V240.C and (T0318)P241.C only 0.000 apart, marking (T0318)P241.C as missing WARNING: atoms too close: (T0318)P241.N and (T0318)G242.N only 0.000 apart, marking (T0318)P241.N as missing WARNING: atoms too close: (T0318)P241.CA and (T0318)G242.CA only 0.000 apart, marking (T0318)P241.CA as missing WARNING: atoms too close: (T0318)K252.C and (T0318)L261.C only 0.000 apart, marking (T0318)L261.C as missing WARNING: atoms too close: (T0318)G253.N and (T0318)Q262.N only 0.000 apart, marking (T0318)G253.N as missing WARNING: atoms too close: (T0318)G253.CA and (T0318)Q262.CA only 0.000 apart, marking (T0318)G253.CA as missing WARNING: atoms too close: (T0318)L363.C and (T0318)W369.C only 0.000 apart, marking (T0318)W369.C as missing WARNING: atoms too close: (T0318)T364.N and (T0318)L370.N only 0.000 apart, marking (T0318)T364.N as missing WARNING: atoms too close: (T0318)T364.CA and (T0318)L370.CA only 0.000 apart, marking (T0318)T364.CA as missing WARNING: atoms too close: (T0318)D408.C and (T0318)G427.C only 0.000 apart, marking (T0318)G427.C as missing WARNING: atoms too close: (T0318)L409.N and (T0318)K428.N only 0.000 apart, marking (T0318)L409.N as missing WARNING: atoms too close: (T0318)L409.CA and (T0318)K428.CA only 0.000 apart, marking (T0318)L409.CA as missing WARNING: atoms too close: (T0318)P432.C and (T0318)G442.C only 0.000 apart, marking (T0318)G442.C as missing WARNING: atoms too close: (T0318)P433.N and (T0318)A443.N only 0.000 apart, marking (T0318)P433.N as missing WARNING: atoms too close: (T0318)P433.CA and (T0318)A443.CA only 0.000 apart, marking (T0318)P433.CA as missing WARNING: atoms too close: (T0318)I445.C and (T0318)F447.C only 0.000 apart, marking (T0318)F447.C as missing WARNING: atoms too close: (T0318)G446.N and (T0318)G448.N only 0.000 apart, marking (T0318)G446.N as missing WARNING: atoms too close: (T0318)G446.CA and (T0318)G448.CA only 0.000 apart, marking (T0318)G446.CA as missing # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # command:# naming current conformation align4 # command:# ReadConformPDB reading from PDB file T0318.undertaker-align.pdb looking for model 5 WARNING: atoms too close: (T0318)F162.C and (T0318)T164.C only 0.000 apart, marking (T0318)T164.C as missing WARNING: atoms too close: (T0318)L163.N and (T0318)D165.N only 0.000 apart, marking (T0318)L163.N as missing WARNING: atoms too close: (T0318)L163.CA and (T0318)D165.CA only 0.000 apart, marking (T0318)L163.CA as missing WARNING: atoms too close: (T0318)L363.C and (T0318)W369.C only 0.000 apart, marking (T0318)W369.C as missing WARNING: atoms too close: (T0318)T364.N and (T0318)L370.N only 0.000 apart, marking (T0318)T364.N as missing WARNING: atoms too close: (T0318)T364.CA and (T0318)L370.CA only 0.000 apart, marking (T0318)T364.CA as missing WARNING: atoms too close: (T0318)P433.C and (T0318)I441.C only 0.000 apart, marking (T0318)I441.C as missing WARNING: atoms too close: (T0318)S434.N and (T0318)G442.N only 0.000 apart, marking (T0318)S434.N as missing WARNING: atoms too close: (T0318)S434.CA and (T0318)G442.CA only 0.000 apart, marking (T0318)S434.CA as missing WARNING: atoms too close: (T0318)I445.C and (T0318)F447.C only 0.000 apart, marking (T0318)F447.C as missing WARNING: atoms too close: (T0318)G446.N and (T0318)G448.N only 0.000 apart, marking (T0318)G446.N as missing WARNING: atoms too close: (T0318)G446.CA and (T0318)G448.CA only 0.000 apart, marking (T0318)G446.CA as missing # WARNING: incomplete conformation T0318 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 478 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model2.ts-submitted looking for model 1 # Found a chain break before 478 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model3.ts-submitted looking for model 1 # Found a chain break before 478 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model4.ts-submitted looking for model 1 # Found a chain break before 478 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model5.ts-submitted looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # ReadConformPDB reading from PDB file T0318.try1-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 478 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0318.try1-opt1.pdb.gz looking for model 1 # Found a chain break before 478 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0318.try1-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 486 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0318.try1-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 486 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0318.try1-opt2.pdb.gz looking for model 1 # Found a chain break before 478 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0318.try1-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 478 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0318.try2-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 478 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0318.try2-opt1.pdb.gz looking for model 1 # Found a chain break before 478 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0318.try2-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 483 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0318.try2-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 483 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0318.try2-opt2.pdb.gz looking for model 1 # Found a chain break before 478 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0318.try2-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 478 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0318.try3-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 478 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0318.try3-opt1.pdb.gz looking for model 1 # Found a chain break before 478 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0318.try3-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 486 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0318.try3-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 486 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0318.try3-opt2.pdb.gz looking for model 1 # Found a chain break before 478 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0318.try3-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 478 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0318.try4-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 478 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0318.try4-opt1.pdb.gz looking for model 1 # Found a chain break before 478 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0318.try4-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 486 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0318.try4-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 486 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0318.try4-opt2.pdb.gz looking for model 1 # Found a chain break before 478 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0318.try4-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 478 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file chimera.pdb.gz looking for model 1 # Found a chain break before 478 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file chimera2.pdb.gz looking for model 1 # Found a chain break before 478 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../6mer/decoys/6mer-1gytA-from-try3-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 478 # copying to AlignedFragments data structure # naming current conformation 6mer//6mer-1gytA-from-try3-opt2 # ReadConformPDB reading from PDB file ../6mer/decoys/6mer-1gytA-from-try3-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 478 # copying to AlignedFragments data structure # naming current conformation 6mer//6mer-1gytA-from-try3-opt2.unpack # ReadConformPDB reading from PDB file ../6mer/decoys/6mer-1gytA-from-try4-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 478 # copying to AlignedFragments data structure # naming current conformation 6mer//6mer-1gytA-from-try4-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0318.try1-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 478 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0318.try1-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 478 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0318.try1-opt2.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 490 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt2.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0318.try1-opt2.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 490 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt2.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0318.try1-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 478 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0318.try1-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 478 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0318.try2-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 478 # copying to AlignedFragments data structure # naming current conformation dimer//try2-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0318.try2-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 478 # copying to AlignedFragments data structure # naming current conformation dimer//try2-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0318.try2-opt2.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 490 # copying to AlignedFragments data structure # naming current conformation dimer//try2-opt2.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0318.try2-opt2.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 490 # copying to AlignedFragments data structure # naming current conformation dimer//try2-opt2.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0318.try2-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 478 # copying to AlignedFragments data structure # naming current conformation dimer//try2-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0318.try2-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 478 # copying to AlignedFragments data structure # naming current conformation dimer//try2-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/dimer-1gytA-from-try3-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 478 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-1gytA-from-try3-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/dimer-1gytA-from-try4-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 478 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-1gytA-from-try4-opt2 # ReadConformPDB reading from PDB file ../old-6mer/decoys/6mer-1gytA-from-try3-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 478 # copying to AlignedFragments data structure # naming current conformation old-6mer//6mer-1gytA-from-try3-opt2 # ReadConformPDB reading from PDB file ../old-6mer/decoys/6mer-1gytA-from-try4-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 478 # copying to AlignedFragments data structure # naming current conformation old-6mer//6mer-1gytA-from-try4-opt2 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1924310367.pdb -s /var/tmp/to_scwrl_1924310367.seq -o /var/tmp/from_scwrl_1924310367.pdb > /var/tmp/scwrl_1924310367.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1924310367.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_POPULUS_TS1-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1451619487.pdb -s /var/tmp/to_scwrl_1451619487.seq -o /var/tmp/from_scwrl_1451619487.pdb > /var/tmp/scwrl_1451619487.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1451619487.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 T0318 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_738463513.pdb -s /var/tmp/to_scwrl_738463513.seq -o /var/tmp/from_scwrl_738463513.pdb > /var/tmp/scwrl_738463513.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_738463513.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_POPULUS_TS3-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1341515266.pdb -s /var/tmp/to_scwrl_1341515266.seq -o /var/tmp/from_scwrl_1341515266.pdb > /var/tmp/scwrl_1341515266.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1341515266.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_POPULUS_TS4-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_878845446.pdb -s /var/tmp/to_scwrl_878845446.seq -o /var/tmp/from_scwrl_878845446.pdb > /var/tmp/scwrl_878845446.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_878845446.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 T0318 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_392748669.pdb -s /var/tmp/to_scwrl_392748669.seq -o /var/tmp/from_scwrl_392748669.pdb > /var/tmp/scwrl_392748669.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_392748669.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 T0318 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_600546923.pdb -s /var/tmp/to_scwrl_600546923.seq -o /var/tmp/from_scwrl_600546923.pdb > /var/tmp/scwrl_600546923.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_600546923.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 T0318 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1434892986.pdb -s /var/tmp/to_scwrl_1434892986.seq -o /var/tmp/from_scwrl_1434892986.pdb > /var/tmp/scwrl_1434892986.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1434892986.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 T0318 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1669707152.pdb -s /var/tmp/to_scwrl_1669707152.seq -o /var/tmp/from_scwrl_1669707152.pdb > /var/tmp/scwrl_1669707152.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1669707152.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 T0318 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1859118423.pdb -s /var/tmp/to_scwrl_1859118423.seq -o /var/tmp/from_scwrl_1859118423.pdb > /var/tmp/scwrl_1859118423.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1859118423.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 T0318 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_777128505.pdb -s /var/tmp/to_scwrl_777128505.seq -o /var/tmp/from_scwrl_777128505.pdb > /var/tmp/scwrl_777128505.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_777128505.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 T0318 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_726657592.pdb -s /var/tmp/to_scwrl_726657592.seq -o /var/tmp/from_scwrl_726657592.pdb > /var/tmp/scwrl_726657592.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_726657592.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 T0318 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_129429158.pdb -s /var/tmp/to_scwrl_129429158.seq -o /var/tmp/from_scwrl_129429158.pdb > /var/tmp/scwrl_129429158.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_129429158.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 T0318 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_19961257.pdb -s /var/tmp/to_scwrl_19961257.seq -o /var/tmp/from_scwrl_19961257.pdb > /var/tmp/scwrl_19961257.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_19961257.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_TS4-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1625590542.pdb -s /var/tmp/to_scwrl_1625590542.seq -o /var/tmp/from_scwrl_1625590542.pdb > /var/tmp/scwrl_1625590542.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1625590542.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 487 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_89116620.pdb -s /var/tmp/to_scwrl_89116620.seq -o /var/tmp/from_scwrl_89116620.pdb > /var/tmp/scwrl_89116620.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_89116620.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 487 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1057844971.pdb -s /var/tmp/to_scwrl_1057844971.seq -o /var/tmp/from_scwrl_1057844971.pdb > /var/tmp/scwrl_1057844971.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1057844971.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 490 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_817150020.pdb -s /var/tmp/to_scwrl_817150020.seq -o /var/tmp/from_scwrl_817150020.pdb > /var/tmp/scwrl_817150020.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_817150020.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 471 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_635708264.pdb -s /var/tmp/to_scwrl_635708264.seq -o /var/tmp/from_scwrl_635708264.pdb > /var/tmp/scwrl_635708264.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_635708264.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 472 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_268615513.pdb -s /var/tmp/to_scwrl_268615513.seq -o /var/tmp/from_scwrl_268615513.pdb > /var/tmp/scwrl_268615513.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_268615513.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 485 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_434366933.pdb -s /var/tmp/to_scwrl_434366933.seq -o /var/tmp/from_scwrl_434366933.pdb > /var/tmp/scwrl_434366933.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_434366933.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 478 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1575631401.pdb -s /var/tmp/to_scwrl_1575631401.seq -o /var/tmp/from_scwrl_1575631401.pdb > /var/tmp/scwrl_1575631401.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1575631401.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 482 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_48293009.pdb -s /var/tmp/to_scwrl_48293009.seq -o /var/tmp/from_scwrl_48293009.pdb > /var/tmp/scwrl_48293009.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_48293009.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 486 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_356072673.pdb -s /var/tmp/to_scwrl_356072673.seq -o /var/tmp/from_scwrl_356072673.pdb > /var/tmp/scwrl_356072673.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_356072673.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 488 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1183921843.pdb -s /var/tmp/to_scwrl_1183921843.seq -o /var/tmp/from_scwrl_1183921843.pdb > /var/tmp/scwrl_1183921843.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1183921843.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 486 # copying to AlignedFragments data structure # naming current conformation BayesHH_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1386683998.pdb -s /var/tmp/to_scwrl_1386683998.seq -o /var/tmp/from_scwrl_1386683998.pdb > /var/tmp/scwrl_1386683998.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1386683998.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 490 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_977659430.pdb -s /var/tmp/to_scwrl_977659430.seq -o /var/tmp/from_scwrl_977659430.pdb > /var/tmp/scwrl_977659430.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_977659430.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 490 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1233237845.pdb -s /var/tmp/to_scwrl_1233237845.seq -o /var/tmp/from_scwrl_1233237845.pdb > /var/tmp/scwrl_1233237845.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1233237845.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 490 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_522780607.pdb -s /var/tmp/to_scwrl_522780607.seq -o /var/tmp/from_scwrl_522780607.pdb > /var/tmp/scwrl_522780607.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_522780607.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 490 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1749532783.pdb -s /var/tmp/to_scwrl_1749532783.seq -o /var/tmp/from_scwrl_1749532783.pdb > /var/tmp/scwrl_1749532783.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1749532783.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 490 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1028606651.pdb -s /var/tmp/to_scwrl_1028606651.seq -o /var/tmp/from_scwrl_1028606651.pdb > /var/tmp/scwrl_1028606651.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1028606651.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 489 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_299607327.pdb -s /var/tmp/to_scwrl_299607327.seq -o /var/tmp/from_scwrl_299607327.pdb > /var/tmp/scwrl_299607327.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_299607327.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 T0318 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1053668624.pdb -s /var/tmp/to_scwrl_1053668624.seq -o /var/tmp/from_scwrl_1053668624.pdb > /var/tmp/scwrl_1053668624.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1053668624.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS2-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1767070163.pdb -s /var/tmp/to_scwrl_1767070163.seq -o /var/tmp/from_scwrl_1767070163.pdb > /var/tmp/scwrl_1767070163.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1767070163.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS3-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1641122594.pdb -s /var/tmp/to_scwrl_1641122594.seq -o /var/tmp/from_scwrl_1641122594.pdb > /var/tmp/scwrl_1641122594.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1641122594.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS4-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1932514070.pdb -s /var/tmp/to_scwrl_1932514070.seq -o /var/tmp/from_scwrl_1932514070.pdb > /var/tmp/scwrl_1932514070.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1932514070.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS5-scwrl # ReadConformPDB reading from PDB file servers/CPHmodels_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation CPHmodels_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_12335186.pdb -s /var/tmp/to_scwrl_12335186.seq -o /var/tmp/from_scwrl_12335186.pdb > /var/tmp/scwrl_12335186.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_12335186.pdb # conformation set from SCWRL output # naming current conformation CPHmodels_TS1-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_94185870.pdb -s /var/tmp/to_scwrl_94185870.seq -o /var/tmp/from_scwrl_94185870.pdb > /var/tmp/scwrl_94185870.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_94185870.pdb # conformation set from SCWRL output # naming current conformation CaspIta-FOX_TS1-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1219923409.pdb -s /var/tmp/to_scwrl_1219923409.seq -o /var/tmp/from_scwrl_1219923409.pdb > /var/tmp/scwrl_1219923409.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1219923409.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 T0318 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1682042338.pdb -s /var/tmp/to_scwrl_1682042338.seq -o /var/tmp/from_scwrl_1682042338.pdb > /var/tmp/scwrl_1682042338.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1682042338.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: atoms too close: (T0318)D318.C and (T0318)I319.N only 0.000 apart, marking (T0318)I319.N as missing WARNING: atoms too close: (T0318)I319.N and (T0318)I319.CA only 0.000 apart, marking (T0318)I319.CA as missing WARNING: atoms too close: (T0318)D318.C and (T0318)I319.CA only 0.000 apart, marking (T0318)I319.CA as missing WARNING: atoms too close: (T0318)I319.CA and (T0318)I319.CB only 0.000 apart, marking (T0318)I319.CB as missing WARNING: atoms too close: (T0318)I319.N and (T0318)I319.CB only 0.000 apart, marking (T0318)I319.CB as missing WARNING: atoms too close: (T0318)D318.C and (T0318)I319.CB only 0.000 apart, marking (T0318)I319.CB as missing WARNING: atoms too close: (T0318)I319.CB and (T0318)I319.CG1 only 0.000 apart, marking (T0318)I319.CG1 as missing WARNING: atoms too close: (T0318)I319.CA and (T0318)I319.CG1 only 0.000 apart, marking (T0318)I319.CG1 as missing WARNING: atoms too close: (T0318)I319.N and (T0318)I319.CG1 only 0.000 apart, marking (T0318)I319.CG1 as missing WARNING: atoms too close: (T0318)D318.C and (T0318)I319.CG1 only 0.000 apart, marking (T0318)I319.CG1 as missing WARNING: atoms too close: (T0318)I319.CG1 and (T0318)I319.CG2 only 0.000 apart, marking (T0318)I319.CG2 as missing WARNING: atoms too close: (T0318)I319.CB and (T0318)I319.CG2 only 0.000 apart, marking (T0318)I319.CG2 as missing WARNING: atoms too close: (T0318)I319.CA and (T0318)I319.CG2 only 0.000 apart, marking (T0318)I319.CG2 as missing WARNING: atoms too close: (T0318)I319.N and (T0318)I319.CG2 only 0.000 apart, marking (T0318)I319.CG2 as missing WARNING: atoms too close: (T0318)D318.C and (T0318)I319.CG2 only 0.000 apart, marking (T0318)I319.CG2 as missing WARNING: atoms too close: (T0318)I319.CG2 and (T0318)I319.CD1 only 0.000 apart, marking (T0318)I319.CD1 as missing WARNING: atoms too close: (T0318)I319.CG1 and (T0318)I319.CD1 only 0.000 apart, marking (T0318)I319.CD1 as missing WARNING: atoms too close: (T0318)I319.CB and (T0318)I319.CD1 only 0.000 apart, marking (T0318)I319.CD1 as missing WARNING: atoms too close: (T0318)I319.CA and (T0318)I319.CD1 only 0.000 apart, marking (T0318)I319.CD1 as missing WARNING: atoms too close: (T0318)I319.N and (T0318)I319.CD1 only 0.000 apart, marking (T0318)I319.CD1 as missing WARNING: atoms too close: (T0318)D318.C and (T0318)I319.CD1 only 0.000 apart, marking (T0318)I319.CD1 as missing WARNING: atoms too close: (T0318)I319.CD1 and (T0318)I319.O only 0.000 apart, marking (T0318)I319.O as missing WARNING: atoms too close: (T0318)I319.CG2 and (T0318)I319.O only 0.000 apart, marking (T0318)I319.O as missing WARNING: atoms too close: (T0318)I319.CG1 and (T0318)I319.O only 0.000 apart, marking (T0318)I319.O as missing WARNING: atoms too close: (T0318)I319.CB and (T0318)I319.O only 0.000 apart, marking (T0318)I319.O as missing WARNING: atoms too close: (T0318)I319.CA and (T0318)I319.O only 0.000 apart, marking (T0318)I319.O as missing WARNING: atoms too close: (T0318)I319.N and (T0318)I319.O only 0.000 apart, marking (T0318)I319.O as missing WARNING: atoms too close: (T0318)D318.C and (T0318)I319.O only 0.000 apart, marking (T0318)I319.O as missing WARNING: atoms too close: (T0318)I319.O and (T0318)I319.C only 0.000 apart, marking (T0318)I319.C as missing WARNING: atoms too close: (T0318)I319.CD1 and (T0318)I319.C only 0.000 apart, marking (T0318)I319.C as missing WARNING: atoms too close: (T0318)I319.CG2 and (T0318)I319.C only 0.000 apart, marking (T0318)I319.C as missing WARNING: atoms too close: (T0318)I319.CG1 and (T0318)I319.C only 0.000 apart, marking (T0318)I319.C as missing WARNING: atoms too close: (T0318)I319.CB and (T0318)I319.C only 0.000 apart, marking (T0318)I319.C as missing WARNING: atoms too close: (T0318)I319.CA and (T0318)I319.C only 0.000 apart, marking (T0318)I319.C as missing WARNING: atoms too close: (T0318)I319.N and (T0318)I319.C only 0.000 apart, marking (T0318)I319.C as missing WARNING: atoms too close: (T0318)D318.C and (T0318)I319.C only 0.000 apart, marking (T0318)I319.C as missing # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1953304293.pdb -s /var/tmp/to_scwrl_1953304293.seq -o /var/tmp/from_scwrl_1953304293.pdb > /var/tmp/scwrl_1953304293.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1953304293.pdb # conformation set from SCWRL output # naming current conformation CaspIta-FOX_TS4-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1997051915.pdb -s /var/tmp/to_scwrl_1997051915.seq -o /var/tmp/from_scwrl_1997051915.pdb > /var/tmp/scwrl_1997051915.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1997051915.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 T0318 can't currently be optimized by undertaker # naming current conformation Distill_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_261216283.pdb -s /var/tmp/to_scwrl_261216283.seq -o /var/tmp/from_scwrl_261216283.pdb > /var/tmp/scwrl_261216283.log Error: Couldn't open file /var/tmp/from_scwrl_261216283.pdb or /var/tmp/from_scwrl_261216283.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_261216283_b.pdb or decoys//var/tmp/from_scwrl_261216283_b.pdb.gz for input Trying /var/tmp/from_scwrl_261216283_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_261216283_b.pdb or /var/tmp/from_scwrl_261216283_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_261216283_a.pdb or decoys//var/tmp/from_scwrl_261216283_a.pdb.gz for input Trying /var/tmp/from_scwrl_261216283_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_261216283_a.pdb or /var/tmp/from_scwrl_261216283_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_261216283.pdb or /var/tmp/from_scwrl_261216283_b.pdb or /var/tmp/from_scwrl_261216283_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 T0318 can't currently be optimized by undertaker # naming current conformation Distill_TS2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_2082733451.pdb -s /var/tmp/to_scwrl_2082733451.seq -o /var/tmp/from_scwrl_2082733451.pdb > /var/tmp/scwrl_2082733451.log Error: Couldn't open file /var/tmp/from_scwrl_2082733451.pdb or /var/tmp/from_scwrl_2082733451.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2082733451_b.pdb or decoys//var/tmp/from_scwrl_2082733451_b.pdb.gz for input Trying /var/tmp/from_scwrl_2082733451_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2082733451_b.pdb or /var/tmp/from_scwrl_2082733451_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2082733451_a.pdb or decoys//var/tmp/from_scwrl_2082733451_a.pdb.gz for input Trying /var/tmp/from_scwrl_2082733451_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2082733451_a.pdb or /var/tmp/from_scwrl_2082733451_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2082733451.pdb or /var/tmp/from_scwrl_2082733451_b.pdb or /var/tmp/from_scwrl_2082733451_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 T0318 can't currently be optimized by undertaker # naming current conformation Distill_TS3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_2017013172.pdb -s /var/tmp/to_scwrl_2017013172.seq -o /var/tmp/from_scwrl_2017013172.pdb > /var/tmp/scwrl_2017013172.log Error: Couldn't open file /var/tmp/from_scwrl_2017013172.pdb or /var/tmp/from_scwrl_2017013172.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2017013172_b.pdb or decoys//var/tmp/from_scwrl_2017013172_b.pdb.gz for input Trying /var/tmp/from_scwrl_2017013172_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2017013172_b.pdb or /var/tmp/from_scwrl_2017013172_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2017013172_a.pdb or decoys//var/tmp/from_scwrl_2017013172_a.pdb.gz for input Trying /var/tmp/from_scwrl_2017013172_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2017013172_a.pdb or /var/tmp/from_scwrl_2017013172_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2017013172.pdb or /var/tmp/from_scwrl_2017013172_b.pdb or /var/tmp/from_scwrl_2017013172_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 T0318 can't currently be optimized by undertaker # naming current conformation Distill_TS4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1886806825.pdb -s /var/tmp/to_scwrl_1886806825.seq -o /var/tmp/from_scwrl_1886806825.pdb > /var/tmp/scwrl_1886806825.log Error: Couldn't open file /var/tmp/from_scwrl_1886806825.pdb or /var/tmp/from_scwrl_1886806825.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1886806825_b.pdb or decoys//var/tmp/from_scwrl_1886806825_b.pdb.gz for input Trying /var/tmp/from_scwrl_1886806825_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1886806825_b.pdb or /var/tmp/from_scwrl_1886806825_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1886806825_a.pdb or decoys//var/tmp/from_scwrl_1886806825_a.pdb.gz for input Trying /var/tmp/from_scwrl_1886806825_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1886806825_a.pdb or /var/tmp/from_scwrl_1886806825_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1886806825.pdb or /var/tmp/from_scwrl_1886806825_b.pdb or /var/tmp/from_scwrl_1886806825_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 T0318 can't currently be optimized by undertaker # naming current conformation Distill_TS5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_24366424.pdb -s /var/tmp/to_scwrl_24366424.seq -o /var/tmp/from_scwrl_24366424.pdb > /var/tmp/scwrl_24366424.log Error: Couldn't open file /var/tmp/from_scwrl_24366424.pdb or /var/tmp/from_scwrl_24366424.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_24366424_b.pdb or decoys//var/tmp/from_scwrl_24366424_b.pdb.gz for input Trying /var/tmp/from_scwrl_24366424_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_24366424_b.pdb or /var/tmp/from_scwrl_24366424_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_24366424_a.pdb or decoys//var/tmp/from_scwrl_24366424_a.pdb.gz for input Trying /var/tmp/from_scwrl_24366424_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_24366424_a.pdb or /var/tmp/from_scwrl_24366424_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_24366424.pdb or /var/tmp/from_scwrl_24366424_b.pdb or /var/tmp/from_scwrl_24366424_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 490 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_927374496.pdb -s /var/tmp/to_scwrl_927374496.seq -o /var/tmp/from_scwrl_927374496.pdb > /var/tmp/scwrl_927374496.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_927374496.pdb # conformation set from SCWRL output # naming current conformation FAMSD_TS1-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation FAMSD_TS2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_556473198.pdb -s /var/tmp/to_scwrl_556473198.seq -o /var/tmp/from_scwrl_556473198.pdb > /var/tmp/scwrl_556473198.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_556473198.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 T0318 can't currently be optimized by undertaker # naming current conformation FAMSD_TS3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_660074688.pdb -s /var/tmp/to_scwrl_660074688.seq -o /var/tmp/from_scwrl_660074688.pdb > /var/tmp/scwrl_660074688.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_660074688.pdb # conformation set from SCWRL output # naming current conformation FAMSD_TS3-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation FAMSD_TS4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1195990009.pdb -s /var/tmp/to_scwrl_1195990009.seq -o /var/tmp/from_scwrl_1195990009.pdb > /var/tmp/scwrl_1195990009.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1195990009.pdb # conformation set from SCWRL output # naming current conformation FAMSD_TS4-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation FAMSD_TS5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_990840131.pdb -s /var/tmp/to_scwrl_990840131.seq -o /var/tmp/from_scwrl_990840131.pdb > /var/tmp/scwrl_990840131.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_990840131.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 489 # copying to AlignedFragments data structure # naming current conformation FAMS_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_88222442.pdb -s /var/tmp/to_scwrl_88222442.seq -o /var/tmp/from_scwrl_88222442.pdb > /var/tmp/scwrl_88222442.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_88222442.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS1-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FAMS_TS2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1244283018.pdb -s /var/tmp/to_scwrl_1244283018.seq -o /var/tmp/from_scwrl_1244283018.pdb > /var/tmp/scwrl_1244283018.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1244283018.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 T0318 can't currently be optimized by undertaker # naming current conformation FAMS_TS3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1346912803.pdb -s /var/tmp/to_scwrl_1346912803.seq -o /var/tmp/from_scwrl_1346912803.pdb > /var/tmp/scwrl_1346912803.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1346912803.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 487 # copying to AlignedFragments data structure # naming current conformation FAMS_TS4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1272144286.pdb -s /var/tmp/to_scwrl_1272144286.seq -o /var/tmp/from_scwrl_1272144286.pdb > /var/tmp/scwrl_1272144286.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1272144286.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 T0318 can't currently be optimized by undertaker # naming current conformation FAMS_TS5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_483483370.pdb -s /var/tmp/to_scwrl_483483370.seq -o /var/tmp/from_scwrl_483483370.pdb > /var/tmp/scwrl_483483370.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_483483370.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 471 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_177088587.pdb -s /var/tmp/to_scwrl_177088587.seq -o /var/tmp/from_scwrl_177088587.pdb > /var/tmp/scwrl_177088587.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_177088587.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 471 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_357898485.pdb -s /var/tmp/to_scwrl_357898485.seq -o /var/tmp/from_scwrl_357898485.pdb > /var/tmp/scwrl_357898485.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_357898485.pdb # conformation set from SCWRL output # naming current conformation FOLDpro_TS2-scwrl # ReadConformPDB reading from PDB file servers/FOLDpro_TS3.pdb.gz looking for model 1 # Found a chain break before 471 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1006263977.pdb -s /var/tmp/to_scwrl_1006263977.seq -o /var/tmp/from_scwrl_1006263977.pdb > /var/tmp/scwrl_1006263977.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1006263977.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 472 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1926621370.pdb -s /var/tmp/to_scwrl_1926621370.seq -o /var/tmp/from_scwrl_1926621370.pdb > /var/tmp/scwrl_1926621370.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1926621370.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 471 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1386505135.pdb -s /var/tmp/to_scwrl_1386505135.seq -o /var/tmp/from_scwrl_1386505135.pdb > /var/tmp/scwrl_1386505135.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1386505135.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 T0318 can't currently be optimized by undertaker # naming current conformation FORTE1_AL1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1305871303.pdb -s /var/tmp/to_scwrl_1305871303.seq -o /var/tmp/from_scwrl_1305871303.pdb > /var/tmp/scwrl_1305871303.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1305871303.pdb # conformation set from SCWRL output # naming current conformation FORTE1_AL1-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation FORTE1_AL2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_832806348.pdb -s /var/tmp/to_scwrl_832806348.seq -o /var/tmp/from_scwrl_832806348.pdb > /var/tmp/scwrl_832806348.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_832806348.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 T0318 can't currently be optimized by undertaker # naming current conformation FORTE1_AL3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1006091653.pdb -s /var/tmp/to_scwrl_1006091653.seq -o /var/tmp/from_scwrl_1006091653.pdb > /var/tmp/scwrl_1006091653.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1006091653.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 T0318 can't currently be optimized by undertaker # naming current conformation FORTE1_AL4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_799510251.pdb -s /var/tmp/to_scwrl_799510251.seq -o /var/tmp/from_scwrl_799510251.pdb > /var/tmp/scwrl_799510251.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_799510251.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 T0318 can't currently be optimized by undertaker # naming current conformation FORTE1_AL5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_617836771.pdb -s /var/tmp/to_scwrl_617836771.seq -o /var/tmp/from_scwrl_617836771.pdb > /var/tmp/scwrl_617836771.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_617836771.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 T0318 can't currently be optimized by undertaker # naming current conformation FORTE2_AL1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1018426839.pdb -s /var/tmp/to_scwrl_1018426839.seq -o /var/tmp/from_scwrl_1018426839.pdb > /var/tmp/scwrl_1018426839.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1018426839.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 T0318 can't currently be optimized by undertaker # naming current conformation FORTE2_AL2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_893696121.pdb -s /var/tmp/to_scwrl_893696121.seq -o /var/tmp/from_scwrl_893696121.pdb > /var/tmp/scwrl_893696121.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_893696121.pdb # conformation set from SCWRL output # naming current conformation FORTE2_AL2-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation FORTE2_AL3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1837760180.pdb -s /var/tmp/to_scwrl_1837760180.seq -o /var/tmp/from_scwrl_1837760180.pdb > /var/tmp/scwrl_1837760180.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1837760180.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 T0318 can't currently be optimized by undertaker # naming current conformation FORTE2_AL4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_552985530.pdb -s /var/tmp/to_scwrl_552985530.seq -o /var/tmp/from_scwrl_552985530.pdb > /var/tmp/scwrl_552985530.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_552985530.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 T0318 can't currently be optimized by undertaker # naming current conformation FORTE2_AL5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_699516768.pdb -s /var/tmp/to_scwrl_699516768.seq -o /var/tmp/from_scwrl_699516768.pdb > /var/tmp/scwrl_699516768.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_699516768.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 487 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1687328448.pdb -s /var/tmp/to_scwrl_1687328448.seq -o /var/tmp/from_scwrl_1687328448.pdb > /var/tmp/scwrl_1687328448.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1687328448.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 484 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_814201813.pdb -s /var/tmp/to_scwrl_814201813.seq -o /var/tmp/from_scwrl_814201813.pdb > /var/tmp/scwrl_814201813.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_814201813.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 490 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_634766572.pdb -s /var/tmp/to_scwrl_634766572.seq -o /var/tmp/from_scwrl_634766572.pdb > /var/tmp/scwrl_634766572.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_634766572.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 490 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1556857973.pdb -s /var/tmp/to_scwrl_1556857973.seq -o /var/tmp/from_scwrl_1556857973.pdb > /var/tmp/scwrl_1556857973.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1556857973.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 490 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_553524991.pdb -s /var/tmp/to_scwrl_553524991.seq -o /var/tmp/from_scwrl_553524991.pdb > /var/tmp/scwrl_553524991.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_553524991.pdb # conformation set from SCWRL output # naming current conformation FPSOLVER-SERVER_TS5-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_659132997.pdb -s /var/tmp/to_scwrl_659132997.seq -o /var/tmp/from_scwrl_659132997.pdb > /var/tmp/scwrl_659132997.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_659132997.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS1-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_336748823.pdb -s /var/tmp/to_scwrl_336748823.seq -o /var/tmp/from_scwrl_336748823.pdb > /var/tmp/scwrl_336748823.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_336748823.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS2-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1109998188.pdb -s /var/tmp/to_scwrl_1109998188.seq -o /var/tmp/from_scwrl_1109998188.pdb > /var/tmp/scwrl_1109998188.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1109998188.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS3-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1319207684.pdb -s /var/tmp/to_scwrl_1319207684.seq -o /var/tmp/from_scwrl_1319207684.pdb > /var/tmp/scwrl_1319207684.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1319207684.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS4-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1532738832.pdb -s /var/tmp/to_scwrl_1532738832.seq -o /var/tmp/from_scwrl_1532738832.pdb > /var/tmp/scwrl_1532738832.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1532738832.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 T0318 can't currently be optimized by undertaker # naming current conformation FUGUE_AL1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_2100838319.pdb -s /var/tmp/to_scwrl_2100838319.seq -o /var/tmp/from_scwrl_2100838319.pdb > /var/tmp/scwrl_2100838319.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2100838319.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 T0318 can't currently be optimized by undertaker # naming current conformation FUGUE_AL2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1407430127.pdb -s /var/tmp/to_scwrl_1407430127.seq -o /var/tmp/from_scwrl_1407430127.pdb > /var/tmp/scwrl_1407430127.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1407430127.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 T0318 can't currently be optimized by undertaker # naming current conformation FUGUE_AL3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_629538204.pdb -s /var/tmp/to_scwrl_629538204.seq -o /var/tmp/from_scwrl_629538204.pdb > /var/tmp/scwrl_629538204.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_629538204.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 T0318 can't currently be optimized by undertaker # naming current conformation FUGUE_AL4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1300267476.pdb -s /var/tmp/to_scwrl_1300267476.seq -o /var/tmp/from_scwrl_1300267476.pdb > /var/tmp/scwrl_1300267476.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1300267476.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 T0318 can't currently be optimized by undertaker # naming current conformation FUGUE_AL5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_532090767.pdb -s /var/tmp/to_scwrl_532090767.seq -o /var/tmp/from_scwrl_532090767.pdb > /var/tmp/scwrl_532090767.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_532090767.pdb # conformation set from SCWRL output # naming current conformation FUGUE_AL5-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS1.pdb.gz looking for model 1 # Found a chain break before 487 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1113021573.pdb -s /var/tmp/to_scwrl_1113021573.seq -o /var/tmp/from_scwrl_1113021573.pdb > /var/tmp/scwrl_1113021573.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1113021573.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 490 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1477356063.pdb -s /var/tmp/to_scwrl_1477356063.seq -o /var/tmp/from_scwrl_1477356063.pdb > /var/tmp/scwrl_1477356063.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1477356063.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 487 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_889989252.pdb -s /var/tmp/to_scwrl_889989252.seq -o /var/tmp/from_scwrl_889989252.pdb > /var/tmp/scwrl_889989252.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_889989252.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 486 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_2119285550.pdb -s /var/tmp/to_scwrl_2119285550.seq -o /var/tmp/from_scwrl_2119285550.pdb > /var/tmp/scwrl_2119285550.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2119285550.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 487 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1256493786.pdb -s /var/tmp/to_scwrl_1256493786.seq -o /var/tmp/from_scwrl_1256493786.pdb > /var/tmp/scwrl_1256493786.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1256493786.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS5-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_129010740.pdb -s /var/tmp/to_scwrl_129010740.seq -o /var/tmp/from_scwrl_129010740.pdb > /var/tmp/scwrl_129010740.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_129010740.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS1-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1277673206.pdb -s /var/tmp/to_scwrl_1277673206.seq -o /var/tmp/from_scwrl_1277673206.pdb > /var/tmp/scwrl_1277673206.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1277673206.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS2-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS3.pdb.gz looking for model 1 # Found a chain break before 471 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_2089300134.pdb -s /var/tmp/to_scwrl_2089300134.seq -o /var/tmp/from_scwrl_2089300134.pdb > /var/tmp/scwrl_2089300134.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2089300134.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 T0318 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1135102392.pdb -s /var/tmp/to_scwrl_1135102392.seq -o /var/tmp/from_scwrl_1135102392.pdb > /var/tmp/scwrl_1135102392.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1135102392.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS4-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS5.pdb.gz looking for model 1 # Found a chain break before 485 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_2077183458.pdb -s /var/tmp/to_scwrl_2077183458.seq -o /var/tmp/from_scwrl_2077183458.pdb > /var/tmp/scwrl_2077183458.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2077183458.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 480 # copying to AlignedFragments data structure # naming current conformation HHpred1_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_559653258.pdb -s /var/tmp/to_scwrl_559653258.seq -o /var/tmp/from_scwrl_559653258.pdb > /var/tmp/scwrl_559653258.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_559653258.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 471 # copying to AlignedFragments data structure # naming current conformation HHpred2_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_6045584.pdb -s /var/tmp/to_scwrl_6045584.seq -o /var/tmp/from_scwrl_6045584.pdb > /var/tmp/scwrl_6045584.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_6045584.pdb # conformation set from SCWRL output # naming current conformation HHpred2_TS1-scwrl # ReadConformPDB reading from PDB file servers/HHpred3_TS1.pdb.gz looking for model 1 # Found a chain break before 482 # copying to AlignedFragments data structure # naming current conformation HHpred3_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_823395932.pdb -s /var/tmp/to_scwrl_823395932.seq -o /var/tmp/from_scwrl_823395932.pdb > /var/tmp/scwrl_823395932.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_823395932.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 T0318 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_249929792.pdb -s /var/tmp/to_scwrl_249929792.seq -o /var/tmp/from_scwrl_249929792.pdb > /var/tmp/scwrl_249929792.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_249929792.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 T0318 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_559031114.pdb -s /var/tmp/to_scwrl_559031114.seq -o /var/tmp/from_scwrl_559031114.pdb > /var/tmp/scwrl_559031114.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_559031114.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 T0318 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1522912699.pdb -s /var/tmp/to_scwrl_1522912699.seq -o /var/tmp/from_scwrl_1522912699.pdb > /var/tmp/scwrl_1522912699.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1522912699.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 T0318 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1937258240.pdb -s /var/tmp/to_scwrl_1937258240.seq -o /var/tmp/from_scwrl_1937258240.pdb > /var/tmp/scwrl_1937258240.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1937258240.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 T0318 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1373232926.pdb -s /var/tmp/to_scwrl_1373232926.seq -o /var/tmp/from_scwrl_1373232926.pdb > /var/tmp/scwrl_1373232926.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1373232926.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 T0318 can't currently be optimized by undertaker # naming current conformation LOOPP_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_10195625.pdb -s /var/tmp/to_scwrl_10195625.seq -o /var/tmp/from_scwrl_10195625.pdb > /var/tmp/scwrl_10195625.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_10195625.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 T0318 can't currently be optimized by undertaker # naming current conformation LOOPP_TS2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1346632567.pdb -s /var/tmp/to_scwrl_1346632567.seq -o /var/tmp/from_scwrl_1346632567.pdb > /var/tmp/scwrl_1346632567.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1346632567.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 T0318 can't currently be optimized by undertaker # naming current conformation LOOPP_TS3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1926757917.pdb -s /var/tmp/to_scwrl_1926757917.seq -o /var/tmp/from_scwrl_1926757917.pdb > /var/tmp/scwrl_1926757917.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1926757917.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 T0318 can't currently be optimized by undertaker # naming current conformation LOOPP_TS4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_669328622.pdb -s /var/tmp/to_scwrl_669328622.seq -o /var/tmp/from_scwrl_669328622.pdb > /var/tmp/scwrl_669328622.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_669328622.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 T0318 can't currently be optimized by undertaker # naming current conformation LOOPP_TS5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1683381390.pdb -s /var/tmp/to_scwrl_1683381390.seq -o /var/tmp/from_scwrl_1683381390.pdb > /var/tmp/scwrl_1683381390.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1683381390.pdb # conformation set from SCWRL output # naming current conformation LOOPP_TS5-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS1.pdb.gz looking for model 1 # Found a chain break before 489 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_889272459.pdb -s /var/tmp/to_scwrl_889272459.seq -o /var/tmp/from_scwrl_889272459.pdb > /var/tmp/scwrl_889272459.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_889272459.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 471 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1988536306.pdb -s /var/tmp/to_scwrl_1988536306.seq -o /var/tmp/from_scwrl_1988536306.pdb > /var/tmp/scwrl_1988536306.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1988536306.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 482 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1068636576.pdb -s /var/tmp/to_scwrl_1068636576.seq -o /var/tmp/from_scwrl_1068636576.pdb > /var/tmp/scwrl_1068636576.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1068636576.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 488 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_842627132.pdb -s /var/tmp/to_scwrl_842627132.seq -o /var/tmp/from_scwrl_842627132.pdb > /var/tmp/scwrl_842627132.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_842627132.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server_TS4-scwrl # ReadConformPDB reading from PDB file servers/MetaTasser_TS1.pdb.gz looking for model 1 # Found a chain break before 490 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1248482786.pdb -s /var/tmp/to_scwrl_1248482786.seq -o /var/tmp/from_scwrl_1248482786.pdb > /var/tmp/scwrl_1248482786.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1248482786.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 490 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1698174779.pdb -s /var/tmp/to_scwrl_1698174779.seq -o /var/tmp/from_scwrl_1698174779.pdb > /var/tmp/scwrl_1698174779.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1698174779.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 490 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_2142894608.pdb -s /var/tmp/to_scwrl_2142894608.seq -o /var/tmp/from_scwrl_2142894608.pdb > /var/tmp/scwrl_2142894608.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2142894608.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 490 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1780573553.pdb -s /var/tmp/to_scwrl_1780573553.seq -o /var/tmp/from_scwrl_1780573553.pdb > /var/tmp/scwrl_1780573553.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1780573553.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 490 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_663712706.pdb -s /var/tmp/to_scwrl_663712706.seq -o /var/tmp/from_scwrl_663712706.pdb > /var/tmp/scwrl_663712706.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_663712706.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 T0318 can't currently be optimized by undertaker # naming current conformation NN_PUT_lab_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1472767024.pdb -s /var/tmp/to_scwrl_1472767024.seq -o /var/tmp/from_scwrl_1472767024.pdb > /var/tmp/scwrl_1472767024.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1472767024.pdb # conformation set from SCWRL output # naming current conformation NN_PUT_lab_TS1-scwrl # ReadConformPDB reading from PDB file servers/POMYSL_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation POMYSL_TS2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_523079158.pdb -s /var/tmp/to_scwrl_523079158.seq -o /var/tmp/from_scwrl_523079158.pdb > /var/tmp/scwrl_523079158.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_523079158.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 WARNING: atom 1 has residue number 77 < previous residue 491 in servers/POMYSL_TS3.pdb.gz # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation POMYSL_TS3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_635514609.pdb -s /var/tmp/to_scwrl_635514609.seq -o /var/tmp/from_scwrl_635514609.pdb > /var/tmp/scwrl_635514609.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_635514609.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 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation POMYSL_TS4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_581777164.pdb -s /var/tmp/to_scwrl_581777164.seq -o /var/tmp/from_scwrl_581777164.pdb > /var/tmp/scwrl_581777164.log Error: Couldn't open file /var/tmp/from_scwrl_581777164.pdb or /var/tmp/from_scwrl_581777164.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_581777164_b.pdb or decoys//var/tmp/from_scwrl_581777164_b.pdb.gz for input Trying /var/tmp/from_scwrl_581777164_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_581777164_b.pdb or /var/tmp/from_scwrl_581777164_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_581777164_a.pdb or decoys//var/tmp/from_scwrl_581777164_a.pdb.gz for input Trying /var/tmp/from_scwrl_581777164_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_581777164_a.pdb or /var/tmp/from_scwrl_581777164_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_581777164.pdb or /var/tmp/from_scwrl_581777164_b.pdb or /var/tmp/from_scwrl_581777164_a.pdb Error: no new SCWRL conformation added # naming current conformation POMYSL_TS4-scwrl # ReadConformPDB reading from PDB file servers/POMYSL_TS5.pdb.gz looking for model 1 WARNING: atom 1 has residue number 77 < previous residue 491 in servers/POMYSL_TS5.pdb.gz # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation POMYSL_TS5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_652089899.pdb -s /var/tmp/to_scwrl_652089899.seq -o /var/tmp/from_scwrl_652089899.pdb > /var/tmp/scwrl_652089899.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_652089899.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 442 ; scwrl3 -i /var/tmp/to_scwrl_1913187815.pdb -s /var/tmp/to_scwrl_1913187815.seq -o /var/tmp/from_scwrl_1913187815.pdb > /var/tmp/scwrl_1913187815.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1913187815.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 442 ; scwrl3 -i /var/tmp/to_scwrl_523593652.pdb -s /var/tmp/to_scwrl_523593652.seq -o /var/tmp/from_scwrl_523593652.pdb > /var/tmp/scwrl_523593652.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_523593652.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 442 ; scwrl3 -i /var/tmp/to_scwrl_1787192291.pdb -s /var/tmp/to_scwrl_1787192291.seq -o /var/tmp/from_scwrl_1787192291.pdb > /var/tmp/scwrl_1787192291.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1787192291.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 442 ; scwrl3 -i /var/tmp/to_scwrl_1842887626.pdb -s /var/tmp/to_scwrl_1842887626.seq -o /var/tmp/from_scwrl_1842887626.pdb > /var/tmp/scwrl_1842887626.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1842887626.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 442 ; scwrl3 -i /var/tmp/to_scwrl_1083246909.pdb -s /var/tmp/to_scwrl_1083246909.seq -o /var/tmp/from_scwrl_1083246909.pdb > /var/tmp/scwrl_1083246909.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1083246909.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 472 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1793237876.pdb -s /var/tmp/to_scwrl_1793237876.seq -o /var/tmp/from_scwrl_1793237876.pdb > /var/tmp/scwrl_1793237876.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1793237876.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS1-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS2.pdb.gz looking for model 1 # Found a chain break before 488 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_518799912.pdb -s /var/tmp/to_scwrl_518799912.seq -o /var/tmp/from_scwrl_518799912.pdb > /var/tmp/scwrl_518799912.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_518799912.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 484 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1333176701.pdb -s /var/tmp/to_scwrl_1333176701.seq -o /var/tmp/from_scwrl_1333176701.pdb > /var/tmp/scwrl_1333176701.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1333176701.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 472 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_204785343.pdb -s /var/tmp/to_scwrl_204785343.seq -o /var/tmp/from_scwrl_204785343.pdb > /var/tmp/scwrl_204785343.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_204785343.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 # Found a chain break before 486 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_2041712611.pdb -s /var/tmp/to_scwrl_2041712611.seq -o /var/tmp/from_scwrl_2041712611.pdb > /var/tmp/scwrl_2041712611.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2041712611.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 T0318 can't currently be optimized by undertaker # naming current conformation Pcons6_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1122951295.pdb -s /var/tmp/to_scwrl_1122951295.seq -o /var/tmp/from_scwrl_1122951295.pdb > /var/tmp/scwrl_1122951295.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1122951295.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 T0318 can't currently be optimized by undertaker # naming current conformation Pcons6_TS2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1578018270.pdb -s /var/tmp/to_scwrl_1578018270.seq -o /var/tmp/from_scwrl_1578018270.pdb > /var/tmp/scwrl_1578018270.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1578018270.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 T0318 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Pcons6_TS3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_2051908236.pdb -s /var/tmp/to_scwrl_2051908236.seq -o /var/tmp/from_scwrl_2051908236.pdb > /var/tmp/scwrl_2051908236.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2051908236.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 T0318 can't currently be optimized by undertaker # naming current conformation Pcons6_TS4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_322100216.pdb -s /var/tmp/to_scwrl_322100216.seq -o /var/tmp/from_scwrl_322100216.pdb > /var/tmp/scwrl_322100216.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_322100216.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 T0318 can't currently be optimized by undertaker # naming current conformation Pcons6_TS5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1357292540.pdb -s /var/tmp/to_scwrl_1357292540.seq -o /var/tmp/from_scwrl_1357292540.pdb > /var/tmp/scwrl_1357292540.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1357292540.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 T0318 can't currently be optimized by undertaker # naming current conformation Phyre-1_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_573753211.pdb -s /var/tmp/to_scwrl_573753211.seq -o /var/tmp/from_scwrl_573753211.pdb > /var/tmp/scwrl_573753211.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_573753211.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 486 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_2005481606.pdb -s /var/tmp/to_scwrl_2005481606.seq -o /var/tmp/from_scwrl_2005481606.pdb > /var/tmp/scwrl_2005481606.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2005481606.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 489 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_99081353.pdb -s /var/tmp/to_scwrl_99081353.seq -o /var/tmp/from_scwrl_99081353.pdb > /var/tmp/scwrl_99081353.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_99081353.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS2-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation Phyre-2_TS3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_414805871.pdb -s /var/tmp/to_scwrl_414805871.seq -o /var/tmp/from_scwrl_414805871.pdb > /var/tmp/scwrl_414805871.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_414805871.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS3-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation Phyre-2_TS4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_926634535.pdb -s /var/tmp/to_scwrl_926634535.seq -o /var/tmp/from_scwrl_926634535.pdb > /var/tmp/scwrl_926634535.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_926634535.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 485 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_941708485.pdb -s /var/tmp/to_scwrl_941708485.seq -o /var/tmp/from_scwrl_941708485.pdb > /var/tmp/scwrl_941708485.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_941708485.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 T0318 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1663288657.pdb -s /var/tmp/to_scwrl_1663288657.seq -o /var/tmp/from_scwrl_1663288657.pdb > /var/tmp/scwrl_1663288657.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1663288657.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS1-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS2.pdb.gz looking for model 1 # Found a chain break before 471 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_477325667.pdb -s /var/tmp/to_scwrl_477325667.seq -o /var/tmp/from_scwrl_477325667.pdb > /var/tmp/scwrl_477325667.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_477325667.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 T0318 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_937119446.pdb -s /var/tmp/to_scwrl_937119446.seq -o /var/tmp/from_scwrl_937119446.pdb > /var/tmp/scwrl_937119446.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_937119446.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS3-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS4.pdb.gz looking for model 1 # Found a chain break before 471 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1296378564.pdb -s /var/tmp/to_scwrl_1296378564.seq -o /var/tmp/from_scwrl_1296378564.pdb > /var/tmp/scwrl_1296378564.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1296378564.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS4-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1141038372.pdb -s /var/tmp/to_scwrl_1141038372.seq -o /var/tmp/from_scwrl_1141038372.pdb > /var/tmp/scwrl_1141038372.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1141038372.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 471 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_262402823.pdb -s /var/tmp/to_scwrl_262402823.seq -o /var/tmp/from_scwrl_262402823.pdb > /var/tmp/scwrl_262402823.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_262402823.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 471 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1819457722.pdb -s /var/tmp/to_scwrl_1819457722.seq -o /var/tmp/from_scwrl_1819457722.pdb > /var/tmp/scwrl_1819457722.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1819457722.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 490 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1776552981.pdb -s /var/tmp/to_scwrl_1776552981.seq -o /var/tmp/from_scwrl_1776552981.pdb > /var/tmp/scwrl_1776552981.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1776552981.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 487 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_844179987.pdb -s /var/tmp/to_scwrl_844179987.seq -o /var/tmp/from_scwrl_844179987.pdb > /var/tmp/scwrl_844179987.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_844179987.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 471 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_324063974.pdb -s /var/tmp/to_scwrl_324063974.seq -o /var/tmp/from_scwrl_324063974.pdb > /var/tmp/scwrl_324063974.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_324063974.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 489 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1542257149.pdb -s /var/tmp/to_scwrl_1542257149.seq -o /var/tmp/from_scwrl_1542257149.pdb > /var/tmp/scwrl_1542257149.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1542257149.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 486 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1367773638.pdb -s /var/tmp/to_scwrl_1367773638.seq -o /var/tmp/from_scwrl_1367773638.pdb > /var/tmp/scwrl_1367773638.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1367773638.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 486 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_2111256266.pdb -s /var/tmp/to_scwrl_2111256266.seq -o /var/tmp/from_scwrl_2111256266.pdb > /var/tmp/scwrl_2111256266.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2111256266.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 488 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1237661129.pdb -s /var/tmp/to_scwrl_1237661129.seq -o /var/tmp/from_scwrl_1237661129.pdb > /var/tmp/scwrl_1237661129.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1237661129.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 486 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_303536902.pdb -s /var/tmp/to_scwrl_303536902.seq -o /var/tmp/from_scwrl_303536902.pdb > /var/tmp/scwrl_303536902.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_303536902.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 471 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1757010495.pdb -s /var/tmp/to_scwrl_1757010495.seq -o /var/tmp/from_scwrl_1757010495.pdb > /var/tmp/scwrl_1757010495.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1757010495.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 485 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1756461041.pdb -s /var/tmp/to_scwrl_1756461041.seq -o /var/tmp/from_scwrl_1756461041.pdb > /var/tmp/scwrl_1756461041.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1756461041.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 471 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1636713603.pdb -s /var/tmp/to_scwrl_1636713603.seq -o /var/tmp/from_scwrl_1636713603.pdb > /var/tmp/scwrl_1636713603.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1636713603.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 471 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1961795838.pdb -s /var/tmp/to_scwrl_1961795838.seq -o /var/tmp/from_scwrl_1961795838.pdb > /var/tmp/scwrl_1961795838.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1961795838.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 483 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1650690005.pdb -s /var/tmp/to_scwrl_1650690005.seq -o /var/tmp/from_scwrl_1650690005.pdb > /var/tmp/scwrl_1650690005.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1650690005.pdb # conformation set from SCWRL output # naming current conformation RAPTOR_TS5-scwrl # ReadConformPDB reading from PDB file servers/ROBETTA_TS1.pdb.gz looking for model 1 # Found a chain break before 469 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_612181252.pdb -s /var/tmp/to_scwrl_612181252.seq -o /var/tmp/from_scwrl_612181252.pdb > /var/tmp/scwrl_612181252.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_612181252.pdb # conformation set from SCWRL output # naming current conformation ROBETTA_TS1-scwrl # ReadConformPDB reading from PDB file servers/ROBETTA_TS2.pdb.gz looking for model 1 # Found a chain break before 465 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1392330461.pdb -s /var/tmp/to_scwrl_1392330461.seq -o /var/tmp/from_scwrl_1392330461.pdb > /var/tmp/scwrl_1392330461.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1392330461.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 471 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1555114595.pdb -s /var/tmp/to_scwrl_1555114595.seq -o /var/tmp/from_scwrl_1555114595.pdb > /var/tmp/scwrl_1555114595.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1555114595.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 471 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_934281468.pdb -s /var/tmp/to_scwrl_934281468.seq -o /var/tmp/from_scwrl_934281468.pdb > /var/tmp/scwrl_934281468.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_934281468.pdb # conformation set from SCWRL output # naming current conformation ROBETTA_TS4-scwrl # ReadConformPDB reading from PDB file servers/ROBETTA_TS5.pdb.gz looking for model 1 # Found a chain break before 471 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_602139356.pdb -s /var/tmp/to_scwrl_602139356.seq -o /var/tmp/from_scwrl_602139356.pdb > /var/tmp/scwrl_602139356.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_602139356.pdb # conformation set from SCWRL output # naming current conformation ROBETTA_TS5-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS1.pdb.gz looking for model 1 # Found a chain break before 471 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_2128867806.pdb -s /var/tmp/to_scwrl_2128867806.seq -o /var/tmp/from_scwrl_2128867806.pdb > /var/tmp/scwrl_2128867806.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2128867806.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS1-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS2.pdb.gz looking for model 1 # Found a chain break before 486 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_792279427.pdb -s /var/tmp/to_scwrl_792279427.seq -o /var/tmp/from_scwrl_792279427.pdb > /var/tmp/scwrl_792279427.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_792279427.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS2-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS3.pdb.gz looking for model 1 # Found a chain break before 471 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_701220709.pdb -s /var/tmp/to_scwrl_701220709.seq -o /var/tmp/from_scwrl_701220709.pdb > /var/tmp/scwrl_701220709.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_701220709.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS3-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS4.pdb.gz looking for model 1 # Found a chain break before 471 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_396190030.pdb -s /var/tmp/to_scwrl_396190030.seq -o /var/tmp/from_scwrl_396190030.pdb > /var/tmp/scwrl_396190030.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_396190030.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS4-scwrl # ReadConformPDB reading from PDB file servers/SAM-T02_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1718913961.pdb -s /var/tmp/to_scwrl_1718913961.seq -o /var/tmp/from_scwrl_1718913961.pdb > /var/tmp/scwrl_1718913961.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1718913961.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 T0318 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1642929193.pdb -s /var/tmp/to_scwrl_1642929193.seq -o /var/tmp/from_scwrl_1642929193.pdb > /var/tmp/scwrl_1642929193.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1642929193.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 T0318 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_2059478688.pdb -s /var/tmp/to_scwrl_2059478688.seq -o /var/tmp/from_scwrl_2059478688.pdb > /var/tmp/scwrl_2059478688.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2059478688.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 Skipped atom 38, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 40, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 42, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 44, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 90, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 92, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 94, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 96, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 778, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 780, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 782, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 784, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 1158, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 1160, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 1162, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 1164, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 1462, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 1464, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 1466, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 1468, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 1538, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 1540, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 1542, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 1544, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_48755981.pdb -s /var/tmp/to_scwrl_48755981.seq -o /var/tmp/from_scwrl_48755981.pdb > /var/tmp/scwrl_48755981.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_48755981.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 T0318 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_432564992.pdb -s /var/tmp/to_scwrl_432564992.seq -o /var/tmp/from_scwrl_432564992.pdb > /var/tmp/scwrl_432564992.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_432564992.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 T0318 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1208373605.pdb -s /var/tmp/to_scwrl_1208373605.seq -o /var/tmp/from_scwrl_1208373605.pdb > /var/tmp/scwrl_1208373605.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1208373605.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL1-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1189794353.pdb -s /var/tmp/to_scwrl_1189794353.seq -o /var/tmp/from_scwrl_1189794353.pdb > /var/tmp/scwrl_1189794353.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1189794353.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL2-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_694967815.pdb -s /var/tmp/to_scwrl_694967815.seq -o /var/tmp/from_scwrl_694967815.pdb > /var/tmp/scwrl_694967815.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_694967815.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL3-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_880347681.pdb -s /var/tmp/to_scwrl_880347681.seq -o /var/tmp/from_scwrl_880347681.pdb > /var/tmp/scwrl_880347681.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_880347681.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL4-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_818863688.pdb -s /var/tmp/to_scwrl_818863688.seq -o /var/tmp/from_scwrl_818863688.pdb > /var/tmp/scwrl_818863688.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_818863688.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL5-scwrl # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS1.pdb.gz looking for model 1 # Found a chain break before 478 # copying to AlignedFragments data structure # naming current conformation SAM_T06_server_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1539147801.pdb -s /var/tmp/to_scwrl_1539147801.seq -o /var/tmp/from_scwrl_1539147801.pdb > /var/tmp/scwrl_1539147801.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1539147801.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 T0318 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1204411655.pdb -s /var/tmp/to_scwrl_1204411655.seq -o /var/tmp/from_scwrl_1204411655.pdb > /var/tmp/scwrl_1204411655.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1204411655.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 T0318 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_213637191.pdb -s /var/tmp/to_scwrl_213637191.seq -o /var/tmp/from_scwrl_213637191.pdb > /var/tmp/scwrl_213637191.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_213637191.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 T0318 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_759437794.pdb -s /var/tmp/to_scwrl_759437794.seq -o /var/tmp/from_scwrl_759437794.pdb > /var/tmp/scwrl_759437794.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_759437794.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 T0318 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1168184274.pdb -s /var/tmp/to_scwrl_1168184274.seq -o /var/tmp/from_scwrl_1168184274.pdb > /var/tmp/scwrl_1168184274.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1168184274.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 487 # copying to AlignedFragments data structure # naming current conformation SP3_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1451298320.pdb -s /var/tmp/to_scwrl_1451298320.seq -o /var/tmp/from_scwrl_1451298320.pdb > /var/tmp/scwrl_1451298320.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1451298320.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 471 # copying to AlignedFragments data structure # naming current conformation SP3_TS2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1062974696.pdb -s /var/tmp/to_scwrl_1062974696.seq -o /var/tmp/from_scwrl_1062974696.pdb > /var/tmp/scwrl_1062974696.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1062974696.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 471 # copying to AlignedFragments data structure # naming current conformation SP3_TS3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_777711123.pdb -s /var/tmp/to_scwrl_777711123.seq -o /var/tmp/from_scwrl_777711123.pdb > /var/tmp/scwrl_777711123.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_777711123.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 392 # copying to AlignedFragments data structure # naming current conformation SP3_TS4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1060275715.pdb -s /var/tmp/to_scwrl_1060275715.seq -o /var/tmp/from_scwrl_1060275715.pdb > /var/tmp/scwrl_1060275715.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1060275715.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 382 # copying to AlignedFragments data structure # naming current conformation SP3_TS5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_552204652.pdb -s /var/tmp/to_scwrl_552204652.seq -o /var/tmp/from_scwrl_552204652.pdb > /var/tmp/scwrl_552204652.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_552204652.pdb # conformation set from SCWRL output # naming current conformation SP3_TS5-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS1.pdb.gz looking for model 1 # Found a chain break before 471 # copying to AlignedFragments data structure # naming current conformation SP4_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_592023314.pdb -s /var/tmp/to_scwrl_592023314.seq -o /var/tmp/from_scwrl_592023314.pdb > /var/tmp/scwrl_592023314.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_592023314.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 471 # copying to AlignedFragments data structure # naming current conformation SP4_TS2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_563482073.pdb -s /var/tmp/to_scwrl_563482073.seq -o /var/tmp/from_scwrl_563482073.pdb > /var/tmp/scwrl_563482073.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_563482073.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 471 # copying to AlignedFragments data structure # naming current conformation SP4_TS3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1164385904.pdb -s /var/tmp/to_scwrl_1164385904.seq -o /var/tmp/from_scwrl_1164385904.pdb > /var/tmp/scwrl_1164385904.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1164385904.pdb # conformation set from SCWRL output # naming current conformation SP4_TS3-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS4.pdb.gz looking for model 1 # Found a chain break before 424 # copying to AlignedFragments data structure # naming current conformation SP4_TS4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1984353776.pdb -s /var/tmp/to_scwrl_1984353776.seq -o /var/tmp/from_scwrl_1984353776.pdb > /var/tmp/scwrl_1984353776.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1984353776.pdb # conformation set from SCWRL output # naming current conformation SP4_TS4-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS5.pdb.gz looking for model 1 # Found a chain break before 479 # copying to AlignedFragments data structure # naming current conformation SP4_TS5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_2118596668.pdb -s /var/tmp/to_scwrl_2118596668.seq -o /var/tmp/from_scwrl_2118596668.pdb > /var/tmp/scwrl_2118596668.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2118596668.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 471 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_2098667372.pdb -s /var/tmp/to_scwrl_2098667372.seq -o /var/tmp/from_scwrl_2098667372.pdb > /var/tmp/scwrl_2098667372.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2098667372.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 472 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_439009485.pdb -s /var/tmp/to_scwrl_439009485.seq -o /var/tmp/from_scwrl_439009485.pdb > /var/tmp/scwrl_439009485.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_439009485.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 471 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_2099980828.pdb -s /var/tmp/to_scwrl_2099980828.seq -o /var/tmp/from_scwrl_2099980828.pdb > /var/tmp/scwrl_2099980828.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2099980828.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 459 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_743463153.pdb -s /var/tmp/to_scwrl_743463153.seq -o /var/tmp/from_scwrl_743463153.pdb > /var/tmp/scwrl_743463153.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_743463153.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 481 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1140230193.pdb -s /var/tmp/to_scwrl_1140230193.seq -o /var/tmp/from_scwrl_1140230193.pdb > /var/tmp/scwrl_1140230193.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1140230193.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 T0318 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_348687211.pdb -s /var/tmp/to_scwrl_348687211.seq -o /var/tmp/from_scwrl_348687211.pdb > /var/tmp/scwrl_348687211.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_348687211.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_bnmx_TS1-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_expm_TS1.pdb.gz looking for model 1 WARNING: atoms too close: (T0318)T2.CA and (T0318)S19.CA only 0.000 apart, marking (T0318)S19.CA as missing WARNING: atoms too close: (T0318)Q3.N and (T0318)L20.N only 0.000 apart, marking (T0318)L20.N as missing WARNING: atoms too close: (T0318)Q3.CA and (T0318)L20.CA only 0.000 apart, marking (T0318)L20.CA as missing WARNING: atoms too close: (T0318)Q3.CB and (T0318)L20.CB only 0.000 apart, marking (T0318)L20.CB as missing WARNING: atoms too close: (T0318)Q3.O and (T0318)L20.O only 0.000 apart, marking (T0318)L20.O as missing WARNING: atoms too close: (T0318)Q3.C and (T0318)L20.C only 0.000 apart, marking (T0318)L20.C as missing WARNING: atoms too close: (T0318)V4.N and (T0318)I21.N only 0.000 apart, marking (T0318)I21.N as missing WARNING: atoms too close: (T0318)V4.CA and (T0318)I21.CA only 0.000 apart, marking (T0318)I21.CA as missing WARNING: atoms too close: (T0318)V4.CB and (T0318)I21.CB only 0.000 apart, marking (T0318)I21.CB as missing WARNING: atoms too close: (T0318)V4.O and (T0318)I21.O only 0.000 apart, marking (T0318)I21.O as missing WARNING: atoms too close: (T0318)V4.C and (T0318)I21.C only 0.000 apart, marking (T0318)I21.C as missing WARNING: atoms too close: (T0318)L5.N and (T0318)I22.N only 0.000 apart, marking (T0318)I22.N as missing WARNING: atoms too close: (T0318)L5.CA and (T0318)I22.CA only 0.000 apart, marking (T0318)I22.CA as missing WARNING: atoms too close: (T0318)L5.CB and (T0318)I22.CB only 0.000 apart, marking (T0318)I22.CB as missing WARNING: atoms too close: (T0318)L5.O and (T0318)I22.O only 0.000 apart, marking (T0318)I22.O as missing WARNING: atoms too close: (T0318)L5.C and (T0318)I22.C only 0.000 apart, marking (T0318)I22.C as missing WARNING: atoms too close: (T0318)V6.N and (T0318)V23.N only 0.000 apart, marking (T0318)V23.N as missing WARNING: atoms too close: (T0318)V6.CA and (T0318)V23.CA only 0.000 apart, marking (T0318)V23.CA as missing WARNING: atoms too close: (T0318)V6.CB and (T0318)V23.CB only 0.000 apart, marking (T0318)V23.CB as missing WARNING: atoms too close: (T0318)V6.C and (T0318)V23.C only 0.000 apart, marking (T0318)V23.C as missing WARNING: atoms too close: (T0318)R7.CA and (T0318)G24.CA only 0.000 apart, marking (T0318)R7.CA as missing WARNING: atoms too close: (T0318)N8.CA and (T0318)K25.CA only 0.000 apart, marking (T0318)K25.CA as missing # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation UNI-EID_expm_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_314893467.pdb -s /var/tmp/to_scwrl_314893467.seq -o /var/tmp/from_scwrl_314893467.pdb > /var/tmp/scwrl_314893467.log Error: Couldn't open file /var/tmp/from_scwrl_314893467.pdb or /var/tmp/from_scwrl_314893467.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_314893467_b.pdb or decoys//var/tmp/from_scwrl_314893467_b.pdb.gz for input Trying /var/tmp/from_scwrl_314893467_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_314893467_b.pdb or /var/tmp/from_scwrl_314893467_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_314893467_a.pdb or decoys//var/tmp/from_scwrl_314893467_a.pdb.gz for input Trying /var/tmp/from_scwrl_314893467_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_314893467_a.pdb or /var/tmp/from_scwrl_314893467_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_314893467.pdb or /var/tmp/from_scwrl_314893467_b.pdb or /var/tmp/from_scwrl_314893467_a.pdb Error: no new SCWRL conformation added # naming current conformation UNI-EID_expm_TS1-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_635675740.pdb -s /var/tmp/to_scwrl_635675740.seq -o /var/tmp/from_scwrl_635675740.pdb > /var/tmp/scwrl_635675740.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_635675740.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_sfst_AL1-scwrl # ReadConformPDB reading from PDB file servers/Zhang-Server_TS1.pdb.gz looking for model 1 # Found a chain break before 484 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_260682252.pdb -s /var/tmp/to_scwrl_260682252.seq -o /var/tmp/from_scwrl_260682252.pdb > /var/tmp/scwrl_260682252.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_260682252.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 484 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_363649449.pdb -s /var/tmp/to_scwrl_363649449.seq -o /var/tmp/from_scwrl_363649449.pdb > /var/tmp/scwrl_363649449.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_363649449.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 484 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1068240732.pdb -s /var/tmp/to_scwrl_1068240732.seq -o /var/tmp/from_scwrl_1068240732.pdb > /var/tmp/scwrl_1068240732.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1068240732.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 485 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1469055857.pdb -s /var/tmp/to_scwrl_1469055857.seq -o /var/tmp/from_scwrl_1469055857.pdb > /var/tmp/scwrl_1469055857.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1469055857.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 471 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1553443802.pdb -s /var/tmp/to_scwrl_1553443802.seq -o /var/tmp/from_scwrl_1553443802.pdb > /var/tmp/scwrl_1553443802.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1553443802.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 490 # copying to AlignedFragments data structure # naming current conformation beautshot_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1763208546.pdb -s /var/tmp/to_scwrl_1763208546.seq -o /var/tmp/from_scwrl_1763208546.pdb > /var/tmp/scwrl_1763208546.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1763208546.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 T0318 can't currently be optimized by undertaker # naming current conformation beautshotbase_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_201919892.pdb -s /var/tmp/to_scwrl_201919892.seq -o /var/tmp/from_scwrl_201919892.pdb > /var/tmp/scwrl_201919892.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_201919892.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 T0318 can't currently be optimized by undertaker # naming current conformation forecast-s_AL1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_224823844.pdb -s /var/tmp/to_scwrl_224823844.seq -o /var/tmp/from_scwrl_224823844.pdb > /var/tmp/scwrl_224823844.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_224823844.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 T0318 can't currently be optimized by undertaker # naming current conformation forecast-s_AL2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1154872700.pdb -s /var/tmp/to_scwrl_1154872700.seq -o /var/tmp/from_scwrl_1154872700.pdb > /var/tmp/scwrl_1154872700.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1154872700.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 T0318 can't currently be optimized by undertaker # naming current conformation forecast-s_AL3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1406331547.pdb -s /var/tmp/to_scwrl_1406331547.seq -o /var/tmp/from_scwrl_1406331547.pdb > /var/tmp/scwrl_1406331547.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1406331547.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 T0318 can't currently be optimized by undertaker # naming current conformation forecast-s_AL4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_438461035.pdb -s /var/tmp/to_scwrl_438461035.seq -o /var/tmp/from_scwrl_438461035.pdb > /var/tmp/scwrl_438461035.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_438461035.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 T0318 can't currently be optimized by undertaker # naming current conformation forecast-s_AL5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1914310494.pdb -s /var/tmp/to_scwrl_1914310494.seq -o /var/tmp/from_scwrl_1914310494.pdb > /var/tmp/scwrl_1914310494.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1914310494.pdb # conformation set from SCWRL output # naming current conformation forecast-s_AL5-scwrl # ReadConformPDB reading from PDB file servers/gtg_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation gtg_AL1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_427032175.pdb -s /var/tmp/to_scwrl_427032175.seq -o /var/tmp/from_scwrl_427032175.pdb > /var/tmp/scwrl_427032175.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_427032175.pdb # conformation set from SCWRL output # naming current conformation gtg_AL1-scwrl # ReadConformPDB reading from PDB file servers/gtg_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation gtg_AL2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1889759355.pdb -s /var/tmp/to_scwrl_1889759355.seq -o /var/tmp/from_scwrl_1889759355.pdb > /var/tmp/scwrl_1889759355.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1889759355.pdb # conformation set from SCWRL output # naming current conformation gtg_AL2-scwrl # ReadConformPDB reading from PDB file servers/gtg_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation gtg_AL3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_829801543.pdb -s /var/tmp/to_scwrl_829801543.seq -o /var/tmp/from_scwrl_829801543.pdb > /var/tmp/scwrl_829801543.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_829801543.pdb # conformation set from SCWRL output # naming current conformation gtg_AL3-scwrl # ReadConformPDB reading from PDB file servers/gtg_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation gtg_AL4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1204743297.pdb -s /var/tmp/to_scwrl_1204743297.seq -o /var/tmp/from_scwrl_1204743297.pdb > /var/tmp/scwrl_1204743297.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1204743297.pdb # conformation set from SCWRL output # naming current conformation gtg_AL4-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation karypis.srv.2_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_802551423.pdb -s /var/tmp/to_scwrl_802551423.seq -o /var/tmp/from_scwrl_802551423.pdb > /var/tmp/scwrl_802551423.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_802551423.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 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation karypis.srv.2_TS2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1382006195.pdb -s /var/tmp/to_scwrl_1382006195.seq -o /var/tmp/from_scwrl_1382006195.pdb > /var/tmp/scwrl_1382006195.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1382006195.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 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation karypis.srv.2_TS3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1796766611.pdb -s /var/tmp/to_scwrl_1796766611.seq -o /var/tmp/from_scwrl_1796766611.pdb > /var/tmp/scwrl_1796766611.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1796766611.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 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation karypis.srv.2_TS4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1366033495.pdb -s /var/tmp/to_scwrl_1366033495.seq -o /var/tmp/from_scwrl_1366033495.pdb > /var/tmp/scwrl_1366033495.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1366033495.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 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation karypis.srv.2_TS5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_398908453.pdb -s /var/tmp/to_scwrl_398908453.seq -o /var/tmp/from_scwrl_398908453.pdb > /var/tmp/scwrl_398908453.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_398908453.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 490 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1633636740.pdb -s /var/tmp/to_scwrl_1633636740.seq -o /var/tmp/from_scwrl_1633636740.pdb > /var/tmp/scwrl_1633636740.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1633636740.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS1-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS2.pdb.gz looking for model 1 # Found a chain break before 489 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1337146517.pdb -s /var/tmp/to_scwrl_1337146517.seq -o /var/tmp/from_scwrl_1337146517.pdb > /var/tmp/scwrl_1337146517.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1337146517.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS2-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS3.pdb.gz looking for model 1 WARNING: atoms too close: (T0318)A392.O and (T0318)G393.N only 0.000 apart, marking (T0318)G393.N as missing # WARNING: incomplete conformation T0318 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 442 ; scwrl3 -i /var/tmp/to_scwrl_350092178.pdb -s /var/tmp/to_scwrl_350092178.seq -o /var/tmp/from_scwrl_350092178.pdb > /var/tmp/scwrl_350092178.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_350092178.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS3-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS4.pdb.gz looking for model 1 WARNING: atoms too close: (T0318)G481.O and (T0318)K482.N only 0.000 apart, marking (T0318)K482.N as missing # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_2072646225.pdb -s /var/tmp/to_scwrl_2072646225.seq -o /var/tmp/from_scwrl_2072646225.pdb > /var/tmp/scwrl_2072646225.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2072646225.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS4-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS5.pdb.gz looking for model 1 WARNING: atoms too close: (T0318)S81.O and (T0318)S82.N only 0.000 apart, marking (T0318)S82.N as missing # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1289643698.pdb -s /var/tmp/to_scwrl_1289643698.seq -o /var/tmp/from_scwrl_1289643698.pdb > /var/tmp/scwrl_1289643698.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1289643698.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS5-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1093555330.pdb -s /var/tmp/to_scwrl_1093555330.seq -o /var/tmp/from_scwrl_1093555330.pdb > /var/tmp/scwrl_1093555330.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1093555330.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 T0318 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1065392772.pdb -s /var/tmp/to_scwrl_1065392772.seq -o /var/tmp/from_scwrl_1065392772.pdb > /var/tmp/scwrl_1065392772.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1065392772.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 T0318 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1638330909.pdb -s /var/tmp/to_scwrl_1638330909.seq -o /var/tmp/from_scwrl_1638330909.pdb > /var/tmp/scwrl_1638330909.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1638330909.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 T0318 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1408448798.pdb -s /var/tmp/to_scwrl_1408448798.seq -o /var/tmp/from_scwrl_1408448798.pdb > /var/tmp/scwrl_1408448798.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1408448798.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 T0318 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1701068511.pdb -s /var/tmp/to_scwrl_1701068511.seq -o /var/tmp/from_scwrl_1701068511.pdb > /var/tmp/scwrl_1701068511.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1701068511.pdb # conformation set from SCWRL output # naming current conformation karypis.srv_TS5-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS1.pdb.gz looking for model 1 # Found a chain break before 470 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1899013162.pdb -s /var/tmp/to_scwrl_1899013162.seq -o /var/tmp/from_scwrl_1899013162.pdb > /var/tmp/scwrl_1899013162.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1899013162.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS1-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS2.pdb.gz looking for model 1 # Found a chain break before 374 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1772098247.pdb -s /var/tmp/to_scwrl_1772098247.seq -o /var/tmp/from_scwrl_1772098247.pdb > /var/tmp/scwrl_1772098247.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1772098247.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS2-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS3.pdb.gz looking for model 1 # Found a chain break before 379 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_621825596.pdb -s /var/tmp/to_scwrl_621825596.seq -o /var/tmp/from_scwrl_621825596.pdb > /var/tmp/scwrl_621825596.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_621825596.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS3-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS4.pdb.gz looking for model 1 # Found a chain break before 432 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1220585372.pdb -s /var/tmp/to_scwrl_1220585372.seq -o /var/tmp/from_scwrl_1220585372.pdb > /var/tmp/scwrl_1220585372.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1220585372.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS4-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS5.pdb.gz looking for model 1 # Found a chain break before 458 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1178058402.pdb -s /var/tmp/to_scwrl_1178058402.seq -o /var/tmp/from_scwrl_1178058402.pdb > /var/tmp/scwrl_1178058402.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1178058402.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 T0318 can't currently be optimized by undertaker # naming current conformation mGen-3D_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_237550495.pdb -s /var/tmp/to_scwrl_237550495.seq -o /var/tmp/from_scwrl_237550495.pdb > /var/tmp/scwrl_237550495.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_237550495.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 T0318 can't currently be optimized by undertaker # naming current conformation nFOLD_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1422505264.pdb -s /var/tmp/to_scwrl_1422505264.seq -o /var/tmp/from_scwrl_1422505264.pdb > /var/tmp/scwrl_1422505264.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1422505264.pdb # conformation set from SCWRL output # naming current conformation nFOLD_TS1-scwrl # ReadConformPDB reading from PDB file servers/nFOLD_TS2.pdb.gz looking for model 1 WARNING: atom 1 has residue number 152 < previous residue 485 in servers/nFOLD_TS2.pdb.gz # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation nFOLD_TS2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1402882246.pdb -s /var/tmp/to_scwrl_1402882246.seq -o /var/tmp/from_scwrl_1402882246.pdb > /var/tmp/scwrl_1402882246.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1402882246.pdb # conformation set from SCWRL output # naming current conformation nFOLD_TS2-scwrl # ReadConformPDB reading from PDB file servers/nFOLD_TS3.pdb.gz looking for model 1 WARNING: atom 1 has residue number 164 < previous residue 485 in servers/nFOLD_TS3.pdb.gz # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation nFOLD_TS3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1392423196.pdb -s /var/tmp/to_scwrl_1392423196.seq -o /var/tmp/from_scwrl_1392423196.pdb > /var/tmp/scwrl_1392423196.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1392423196.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 T0318 can't currently be optimized by undertaker # naming current conformation nFOLD_TS4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_681353165.pdb -s /var/tmp/to_scwrl_681353165.seq -o /var/tmp/from_scwrl_681353165.pdb > /var/tmp/scwrl_681353165.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_681353165.pdb # conformation set from SCWRL output # naming current conformation nFOLD_TS4-scwrl # ReadConformPDB reading from PDB file servers/nFOLD_TS5.pdb.gz looking for model 1 WARNING: atom 1 has residue number 1 < previous residue 424 in servers/nFOLD_TS5.pdb.gz # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation nFOLD_TS5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1841343281.pdb -s /var/tmp/to_scwrl_1841343281.seq -o /var/tmp/from_scwrl_1841343281.pdb > /var/tmp/scwrl_1841343281.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1841343281.pdb # conformation set from SCWRL output # naming current conformation nFOLD_TS5-scwrl # ReadConformPDB reading from PDB file servers/panther2_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation panther2_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1159250043.pdb -s /var/tmp/to_scwrl_1159250043.seq -o /var/tmp/from_scwrl_1159250043.pdb > /var/tmp/scwrl_1159250043.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1159250043.pdb # conformation set from SCWRL output # naming current conformation panther2_TS1-scwrl # ReadConformPDB reading from PDB file servers/shub_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation shub_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1108385339.pdb -s /var/tmp/to_scwrl_1108385339.seq -o /var/tmp/from_scwrl_1108385339.pdb > /var/tmp/scwrl_1108385339.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1108385339.pdb # conformation set from SCWRL output # naming current conformation shub_TS1-scwrl # command:CPU_time= 183.627 sec, elapsed time= 1167.35 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 = 45.8356 shub_TS1 costs 0 real_cost = 47.107 panther2_TS1-scwrl costs 0 real_cost = 111.642 panther2_TS1 costs 0 real_cost = 106.17 nFOLD_TS5-scwrl costs 0 real_cost = 677.933 nFOLD_TS5 costs 0 real_cost = 790.964 nFOLD_TS4-scwrl costs 0 real_cost = 421.098 nFOLD_TS4 costs 0 real_cost = 636.362 nFOLD_TS3-scwrl costs 0 real_cost = 518.57 nFOLD_TS3 costs 0 real_cost = 653.1 nFOLD_TS2-scwrl costs 0 real_cost = 515.968 nFOLD_TS2 costs 0 real_cost = 688.297 nFOLD_TS1-scwrl costs 0 real_cost = 84.522 nFOLD_TS1 costs 0 real_cost = 307.712 mGen-3D_TS1-scwrl costs 0 real_cost = 85.19 mGen-3D_TS1 costs 0 real_cost = 304.024 keasar-server_TS5-scwrl costs 0 real_cost = 31.1132 keasar-server_TS5 costs 0 real_cost = 36.919 keasar-server_TS4-scwrl costs 0 real_cost = 32.1579 keasar-server_TS4 costs 0 real_cost = 39.4721 keasar-server_TS3-scwrl costs 0 real_cost = 39.197 keasar-server_TS3 costs 0 real_cost = 49.2933 keasar-server_TS2-scwrl costs 0 real_cost = 35.6045 keasar-server_TS2 costs 0 real_cost = 45.4714 keasar-server_TS1-scwrl costs 0 real_cost = 31.7685 keasar-server_TS1 costs 0 real_cost = 33.4943 karypis.srv_TS5-scwrl costs 0 real_cost = 346.443 karypis.srv_TS5 costs 0 real_cost = 337.911 karypis.srv_TS4-scwrl costs 0 real_cost = 431.233 karypis.srv_TS4 costs 0 real_cost = 424.624 karypis.srv_TS3-scwrl costs 0 real_cost = 276.255 karypis.srv_TS3 costs 0 real_cost = 274.059 karypis.srv_TS2-scwrl costs 0 real_cost = 111.846 karypis.srv_TS2 costs 0 real_cost = 107.43 karypis.srv_TS1-scwrl costs 0 real_cost = 83.8869 karypis.srv_TS1 costs 0 real_cost = 82.9276 karypis.srv.4_TS5-scwrl costs 0 real_cost = 361.623 karypis.srv.4_TS5 costs 0 real_cost = 361.034 karypis.srv.4_TS4-scwrl costs 0 real_cost = 344.901 karypis.srv.4_TS4 costs 0 real_cost = 345.876 karypis.srv.4_TS3-scwrl costs 0 real_cost = 389.303 karypis.srv.4_TS3 costs 0 real_cost = 391.175 karypis.srv.4_TS2-scwrl costs 0 real_cost = 332.504 karypis.srv.4_TS2 costs 0 real_cost = 331.691 karypis.srv.4_TS1-scwrl costs 0 real_cost = 369.178 karypis.srv.4_TS1 costs 0 real_cost = 367.36 karypis.srv.2_TS5-scwrl costs 0 real_cost = 155.032 karypis.srv.2_TS5 costs 0 real_cost = 150.891 karypis.srv.2_TS4-scwrl costs 0 real_cost = 147.187 karypis.srv.2_TS4 costs 0 real_cost = 143.296 karypis.srv.2_TS3-scwrl costs 0 real_cost = 122.435 karypis.srv.2_TS3 costs 0 real_cost = 118.393 karypis.srv.2_TS2-scwrl costs 0 real_cost = 127.907 karypis.srv.2_TS2 costs 0 real_cost = 123.29 karypis.srv.2_TS1-scwrl costs 0 real_cost = 111.461 karypis.srv.2_TS1 costs 0 real_cost = 106.565 gtg_AL4-scwrl costs 0 real_cost = 1019.35 gtg_AL4 costs 0 real_cost = 1036.83 gtg_AL3-scwrl costs 0 real_cost = 1017.22 gtg_AL3 costs 0 real_cost = 1034.49 gtg_AL2-scwrl costs 0 real_cost = 201.864 gtg_AL2 costs 0 real_cost = 419.263 gtg_AL1-scwrl costs 0 real_cost = 208.216 gtg_AL1 costs 0 real_cost = 425.922 forecast-s_AL5-scwrl costs 0 real_cost = 647.192 forecast-s_AL5 costs 0 real_cost = 798.453 forecast-s_AL4-scwrl costs 0 real_cost = 723.997 forecast-s_AL4 costs 0 real_cost = 865.055 forecast-s_AL3-scwrl costs 0 real_cost = 857.097 forecast-s_AL3 costs 0 real_cost = 951.989 forecast-s_AL2-scwrl costs 0 real_cost = 840.902 forecast-s_AL2 costs 0 real_cost = 938.276 forecast-s_AL1-scwrl costs 0 real_cost = 210.89 forecast-s_AL1 costs 0 real_cost = 402.266 beautshotbase_TS1-scwrl costs 0 real_cost = 193.562 beautshotbase_TS1 costs 0 real_cost = 196.946 beautshot_TS1-scwrl costs 0 real_cost = 3.8704 beautshot_TS1 costs 0 real_cost = 8.03047 Zhang-Server_TS5-scwrl costs 0 real_cost = -0.146525 Zhang-Server_TS5 costs 0 real_cost = 3.67631 Zhang-Server_TS4-scwrl costs 0 real_cost = 15.6455 Zhang-Server_TS4 costs 0 real_cost = 17.901 Zhang-Server_TS3-scwrl costs 0 real_cost = -14.3353 Zhang-Server_TS3 costs 0 real_cost = -5.24857 Zhang-Server_TS2-scwrl costs 0 real_cost = -1.31563 Zhang-Server_TS2 costs 0 real_cost = 3.18698 Zhang-Server_TS1-scwrl costs 0 real_cost = 25.1586 Zhang-Server_TS1 costs 0 real_cost = 26.4816 UNI-EID_sfst_AL1-scwrl costs 0 real_cost = 55.2569 UNI-EID_sfst_AL1 costs 0 real_cost = 351.878 UNI-EID_expm_TS1-scwrl costs 0 real_cost = 281.005 UNI-EID_bnmx_TS1-scwrl costs 0 real_cost = 55.9357 UNI-EID_bnmx_TS1 costs 0 real_cost = 362.197 SPARKS2_TS5-scwrl costs 0 real_cost = 405.292 SPARKS2_TS5 costs 0 real_cost = 412.562 SPARKS2_TS4-scwrl costs 0 real_cost = 327.497 SPARKS2_TS4 costs 0 real_cost = 332.977 SPARKS2_TS3-scwrl costs 0 real_cost = 144.604 SPARKS2_TS3 costs 0 real_cost = 148.54 SPARKS2_TS2-scwrl costs 0 real_cost = -38.3217 SPARKS2_TS2 costs 0 real_cost = -39.3962 SPARKS2_TS1-scwrl costs 0 real_cost = -22.223 SPARKS2_TS1 costs 0 real_cost = -20.1437 SP4_TS5-scwrl costs 0 real_cost = 345.271 SP4_TS5 costs 0 real_cost = 343.239 SP4_TS4-scwrl costs 0 real_cost = 362.636 SP4_TS4 costs 0 real_cost = 365.035 SP4_TS3-scwrl costs 0 real_cost = 143.902 SP4_TS3 costs 0 real_cost = 150.294 SP4_TS2-scwrl costs 0 real_cost = -40.9962 SP4_TS2 costs 0 real_cost = -40.0763 SP4_TS1-scwrl costs 0 real_cost = -23.7344 SP4_TS1 costs 0 real_cost = -22.3909 SP3_TS5-scwrl costs 0 real_cost = 374.812 SP3_TS5 costs 0 real_cost = 379.408 SP3_TS4-scwrl costs 0 real_cost = 364.951 SP3_TS4 costs 0 real_cost = 369.068 SP3_TS3-scwrl costs 0 real_cost = 141.623 SP3_TS3 costs 0 real_cost = 145.635 SP3_TS2-scwrl costs 0 real_cost = -36.9471 SP3_TS2 costs 0 real_cost = -38.834 SP3_TS1-scwrl costs 0 real_cost = -22.9775 SP3_TS1 costs 0 real_cost = -19.2139 SAM_T06_server_TS5-scwrl costs 0 real_cost = 658.826 SAM_T06_server_TS5 costs 0 real_cost = 618.555 SAM_T06_server_TS4-scwrl costs 0 real_cost = 717.05 SAM_T06_server_TS4 costs 0 real_cost = 676.434 SAM_T06_server_TS3-scwrl costs 0 real_cost = 67.1364 SAM_T06_server_TS3 costs 0 real_cost = 54.8278 SAM_T06_server_TS2-scwrl costs 0 real_cost = 59.5817 SAM_T06_server_TS2 costs 0 real_cost = 36.5692 SAM_T06_server_TS1-scwrl costs 0 real_cost = 62.2535 SAM_T06_server_TS1 costs 0 real_cost = 61.9297 SAM-T99_AL5-scwrl costs 0 real_cost = 31.2036 SAM-T99_AL5 costs 0 real_cost = 349.576 SAM-T99_AL4-scwrl costs 0 real_cost = 27.5522 SAM-T99_AL4 costs 0 real_cost = 346.386 SAM-T99_AL3-scwrl costs 0 real_cost = 27.2581 SAM-T99_AL3 costs 0 real_cost = 345.406 SAM-T99_AL2-scwrl costs 0 real_cost = 60.618 SAM-T99_AL2 costs 0 real_cost = 358.111 SAM-T99_AL1-scwrl costs 0 real_cost = 61.3637 SAM-T99_AL1 costs 0 real_cost = 355.984 SAM-T02_AL5-scwrl costs 0 real_cost = 806.545 SAM-T02_AL5 costs 0 real_cost = 909.5 SAM-T02_AL4-scwrl costs 0 real_cost = 56.0515 SAM-T02_AL4 costs 0 real_cost = 380.118 SAM-T02_AL3-scwrl costs 0 real_cost = 60.7342 SAM-T02_AL3 costs 0 real_cost = 386.941 SAM-T02_AL2-scwrl costs 0 real_cost = 80.5426 SAM-T02_AL2 costs 0 real_cost = 388.829 SAM-T02_AL1-scwrl costs 0 real_cost = 81.3139 SAM-T02_AL1 costs 0 real_cost = 391.444 ROKKY_TS4-scwrl costs 0 real_cost = 15.5877 ROKKY_TS4 costs 0 real_cost = 16.1901 ROKKY_TS3-scwrl costs 0 real_cost = 8.79609 ROKKY_TS3 costs 0 real_cost = 13.0119 ROKKY_TS2-scwrl costs 0 real_cost = 11.8961 ROKKY_TS2 costs 0 real_cost = 12.7405 ROKKY_TS1-scwrl costs 0 real_cost = 2.76602 ROKKY_TS1 costs 0 real_cost = 0.268886 ROBETTA_TS5-scwrl costs 0 real_cost = 1.50371 ROBETTA_TS5 costs 0 real_cost = 4.39132 ROBETTA_TS4-scwrl costs 0 real_cost = 10.8206 ROBETTA_TS4 costs 0 real_cost = 10.2376 ROBETTA_TS3-scwrl costs 0 real_cost = -4.2336 ROBETTA_TS3 costs 0 real_cost = -2.71623 ROBETTA_TS2-scwrl costs 0 real_cost = 17.8434 ROBETTA_TS2 costs 0 real_cost = 19.5302 ROBETTA_TS1-scwrl costs 0 real_cost = 8.96253 ROBETTA_TS1 costs 0 real_cost = 11.2654 RAPTOR_TS5-scwrl costs 0 real_cost = 66.8611 RAPTOR_TS5 costs 0 real_cost = 66.457 RAPTOR_TS4-scwrl costs 0 real_cost = -42.6236 RAPTOR_TS4 costs 0 real_cost = -45.8802 RAPTOR_TS3-scwrl costs 0 real_cost = -20.6286 RAPTOR_TS3 costs 0 real_cost = -16.5703 RAPTOR_TS2-scwrl costs 0 real_cost = -16.7737 RAPTOR_TS2 costs 0 real_cost = -13.2792 RAPTOR_TS1-scwrl costs 0 real_cost = -26.5667 RAPTOR_TS1 costs 0 real_cost = -27.7377 RAPTORESS_TS5-scwrl costs 0 real_cost = 74.3217 RAPTORESS_TS5 costs 0 real_cost = 74.9027 RAPTORESS_TS4-scwrl costs 0 real_cost = -45.5419 RAPTORESS_TS4 costs 0 real_cost = -46.0785 RAPTORESS_TS3-scwrl costs 0 real_cost = -10.1686 RAPTORESS_TS3 costs 0 real_cost = -5.52836 RAPTORESS_TS2-scwrl costs 0 real_cost = 5.48679 RAPTORESS_TS2 costs 0 real_cost = 11.6592 RAPTORESS_TS1-scwrl costs 0 real_cost = -29.7538 RAPTORESS_TS1 costs 0 real_cost = -27.7255 RAPTOR-ACE_TS5-scwrl costs 0 real_cost = -6.66928 RAPTOR-ACE_TS5 costs 0 real_cost = -4.27798 RAPTOR-ACE_TS4-scwrl costs 0 real_cost = -22.9775 RAPTOR-ACE_TS4 costs 0 real_cost = -19.2139 RAPTOR-ACE_TS3-scwrl costs 0 real_cost = -43.4427 RAPTOR-ACE_TS3 costs 0 real_cost = -43.296 RAPTOR-ACE_TS2-scwrl costs 0 real_cost = -36.9471 RAPTOR-ACE_TS2 costs 0 real_cost = -38.834 RAPTOR-ACE_TS1-scwrl costs 0 real_cost = -20.4918 RAPTOR-ACE_TS1 costs 0 real_cost = -17.1062 Pmodeller6_TS5-scwrl costs 0 real_cost = 14.6613 Pmodeller6_TS5 costs 0 real_cost = 12.3515 Pmodeller6_TS4-scwrl costs 0 real_cost = -4.2336 Pmodeller6_TS4 costs 0 real_cost = -2.71623 Pmodeller6_TS3-scwrl costs 0 real_cost = 195.911 Pmodeller6_TS3 costs 0 real_cost = 193.15 Pmodeller6_TS2-scwrl costs 0 real_cost = 1.50371 Pmodeller6_TS2 costs 0 real_cost = 4.39132 Pmodeller6_TS1-scwrl costs 0 real_cost = -19.483 Pmodeller6_TS1 costs 0 real_cost = -23.1351 Phyre-2_TS5-scwrl costs 0 real_cost = 105.73 Phyre-2_TS5 costs 0 real_cost = 104.853 Phyre-2_TS4-scwrl costs 0 real_cost = 269.893 Phyre-2_TS4 costs 0 real_cost = 268.603 Phyre-2_TS3-scwrl costs 0 real_cost = 135.247 Phyre-2_TS3 costs 0 real_cost = 129.491 Phyre-2_TS2-scwrl costs 0 real_cost = 91.2747 Phyre-2_TS2 costs 0 real_cost = 90.5047 Phyre-2_TS1-scwrl costs 0 real_cost = 91.8553 Phyre-2_TS1 costs 0 real_cost = 92.8357 Phyre-1_TS1-scwrl costs 0 real_cost = 25.4571 Phyre-1_TS1 costs 0 real_cost = 23.3096 Pcons6_TS5-scwrl costs 0 real_cost = 21.5865 Pcons6_TS5 costs 0 real_cost = 20.094 Pcons6_TS4-scwrl costs 0 real_cost = 22.222 Pcons6_TS4 costs 0 real_cost = 20.5991 Pcons6_TS3-scwrl costs 0 real_cost = 22.3868 Pcons6_TS3 costs 0 real_cost = 22.3874 Pcons6_TS2-scwrl costs 0 real_cost = 37.2409 Pcons6_TS2 costs 0 real_cost = 34.516 Pcons6_TS1-scwrl costs 0 real_cost = 21.5865 Pcons6_TS1 costs 0 real_cost = 20.094 PROTINFO_TS5-scwrl costs 0 real_cost = -23.4185 PROTINFO_TS5 costs 0 real_cost = -25.0276 PROTINFO_TS4-scwrl costs 0 real_cost = 16.6078 PROTINFO_TS4 costs 0 real_cost = 18.9355 PROTINFO_TS3-scwrl costs 0 real_cost = 2.95137 PROTINFO_TS3 costs 0 real_cost = 0.106455 PROTINFO_TS2-scwrl costs 0 real_cost = 4.67643 PROTINFO_TS2 costs 0 real_cost = 4.22219 PROTINFO_TS1-scwrl costs 0 real_cost = 6.61455 PROTINFO_TS1 costs 0 real_cost = 5.6865 PROTINFO-AB_TS5-scwrl costs 0 real_cost = 10.8466 PROTINFO-AB_TS5 costs 0 real_cost = 13.1265 PROTINFO-AB_TS4-scwrl costs 0 real_cost = 18.8797 PROTINFO-AB_TS4 costs 0 real_cost = 23.7041 PROTINFO-AB_TS3-scwrl costs 0 real_cost = 44.0274 PROTINFO-AB_TS3 costs 0 real_cost = 45.2594 PROTINFO-AB_TS2-scwrl costs 0 real_cost = 14.1068 PROTINFO-AB_TS2 costs 0 real_cost = 19.0094 PROTINFO-AB_TS1-scwrl costs 0 real_cost = 34.6779 PROTINFO-AB_TS1 costs 0 real_cost = 43.4287 POMYSL_TS5-scwrl costs 0 real_cost = 840.472 POMYSL_TS5 costs 0 real_cost = 834.907 POMYSL_TS4-scwrl costs 0 real_cost = 976.868 POMYSL_TS3-scwrl costs 0 real_cost = 835.629 POMYSL_TS3 costs 0 real_cost = 837.51 POMYSL_TS2-scwrl costs 0 real_cost = 804.88 POMYSL_TS2 costs 0 real_cost = 808.649 NN_PUT_lab_TS1-scwrl costs 0 real_cost = 84.522 NN_PUT_lab_TS1 costs 0 real_cost = 307.712 MetaTasser_TS5-scwrl costs 0 real_cost = 49.2243 MetaTasser_TS5 costs 0 real_cost = 51.934 MetaTasser_TS4-scwrl costs 0 real_cost = 78.9773 MetaTasser_TS4 costs 0 real_cost = 78.5277 MetaTasser_TS3-scwrl costs 0 real_cost = -0.020538 MetaTasser_TS3 costs 0 real_cost = -2.92104 MetaTasser_TS2-scwrl costs 0 real_cost = 19.5493 MetaTasser_TS2 costs 0 real_cost = 17.2395 MetaTasser_TS1-scwrl costs 0 real_cost = 13.4506 MetaTasser_TS1 costs 0 real_cost = 13.9809 Ma-OPUS-server_TS4-scwrl costs 0 real_cost = 327.285 Ma-OPUS-server_TS4 costs 0 real_cost = 328.981 Ma-OPUS-server_TS3-scwrl costs 0 real_cost = 309.124 Ma-OPUS-server_TS3 costs 0 real_cost = 309.512 Ma-OPUS-server_TS2-scwrl costs 0 real_cost = 20.5102 Ma-OPUS-server_TS2 costs 0 real_cost = 23.4208 Ma-OPUS-server_TS1-scwrl costs 0 real_cost = 3.38032 Ma-OPUS-server_TS1 costs 0 real_cost = 5.98205 LOOPP_TS5-scwrl costs 0 real_cost = 187.413 LOOPP_TS5 costs 0 real_cost = 191.128 LOOPP_TS4-scwrl costs 0 real_cost = 37.1317 LOOPP_TS4 costs 0 real_cost = 39.7637 LOOPP_TS3-scwrl costs 0 real_cost = 65.8857 LOOPP_TS3 costs 0 real_cost = 70.8724 LOOPP_TS2-scwrl costs 0 real_cost = 72.7509 LOOPP_TS2 costs 0 real_cost = 77.2633 LOOPP_TS1-scwrl costs 0 real_cost = 48.611 LOOPP_TS1 costs 0 real_cost = 50.9546 Huber-Torda-Server_TS5-scwrl costs 0 real_cost = 702.803 Huber-Torda-Server_TS5 costs 0 real_cost = 780.581 Huber-Torda-Server_TS4-scwrl costs 0 real_cost = 798.902 Huber-Torda-Server_TS4 costs 0 real_cost = 840.961 Huber-Torda-Server_TS3-scwrl costs 0 real_cost = 779.528 Huber-Torda-Server_TS3 costs 0 real_cost = 827.494 Huber-Torda-Server_TS2-scwrl costs 0 real_cost = 230.963 Huber-Torda-Server_TS2 costs 0 real_cost = 378.267 Huber-Torda-Server_TS1-scwrl costs 0 real_cost = 167.837 Huber-Torda-Server_TS1 costs 0 real_cost = 351.553 HHpred3_TS1-scwrl costs 0 real_cost = -43.4453 HHpred3_TS1 costs 0 real_cost = -44.1157 HHpred2_TS1-scwrl costs 0 real_cost = -23.4064 HHpred2_TS1 costs 0 real_cost = -20.8167 HHpred1_TS1-scwrl costs 0 real_cost = -14.2372 HHpred1_TS1 costs 0 real_cost = -10.8756 GeneSilicoMetaServer_TS5-scwrl costs 0 real_cost = 24.4743 GeneSilicoMetaServer_TS5 costs 0 real_cost = 28.431 GeneSilicoMetaServer_TS4-scwrl costs 0 real_cost = 180.58 GeneSilicoMetaServer_TS4 costs 0 real_cost = 182.802 GeneSilicoMetaServer_TS3-scwrl costs 0 real_cost = -26.8046 GeneSilicoMetaServer_TS3 costs 0 real_cost = -24.8868 GeneSilicoMetaServer_TS2-scwrl costs 0 real_cost = 31.6773 GeneSilicoMetaServer_TS2 costs 0 real_cost = 34.0458 GeneSilicoMetaServer_TS1-scwrl costs 0 real_cost = 51.4921 GeneSilicoMetaServer_TS1 costs 0 real_cost = 50.6466 FUNCTION_TS5-scwrl costs 0 real_cost = 12.7129 FUNCTION_TS5 costs 0 real_cost = 13.2203 FUNCTION_TS4-scwrl costs 0 real_cost = 26.1869 FUNCTION_TS4 costs 0 real_cost = 24.5217 FUNCTION_TS3-scwrl costs 0 real_cost = 25.4366 FUNCTION_TS3 costs 0 real_cost = 20.3094 FUNCTION_TS2-scwrl costs 0 real_cost = 1.59089 FUNCTION_TS2 costs 0 real_cost = 2.81042 FUNCTION_TS1-scwrl costs 0 real_cost = -2.60497 FUNCTION_TS1 costs 0 real_cost = -4.82312 FUGUE_AL5-scwrl costs 0 real_cost = 932.057 FUGUE_AL5 costs 0 real_cost = 1000.94 FUGUE_AL4-scwrl costs 0 real_cost = 789.875 FUGUE_AL4 costs 0 real_cost = 888.623 FUGUE_AL3-scwrl costs 0 real_cost = 3.51066 FUGUE_AL3 costs 0 real_cost = 320.84 FUGUE_AL2-scwrl costs 0 real_cost = 194.973 FUGUE_AL2 costs 0 real_cost = 378.71 FUGUE_AL1-scwrl costs 0 real_cost = 216.849 FUGUE_AL1 costs 0 real_cost = 412.126 FUGMOD_TS5-scwrl costs 0 real_cost = 918.437 FUGMOD_TS5 costs 0 real_cost = 912.423 FUGMOD_TS4-scwrl costs 0 real_cost = 760.971 FUGMOD_TS4 costs 0 real_cost = 756.039 FUGMOD_TS3-scwrl costs 0 real_cost = -16.9954 FUGMOD_TS3 costs 0 real_cost = -22.2561 FUGMOD_TS2-scwrl costs 0 real_cost = 175.574 FUGMOD_TS2 costs 0 real_cost = 168.049 FUGMOD_TS1-scwrl costs 0 real_cost = 196.174 FUGMOD_TS1 costs 0 real_cost = 196.383 FPSOLVER-SERVER_TS5-scwrl costs 0 real_cost = 328.248 FPSOLVER-SERVER_TS5 costs 0 real_cost = 331.421 FPSOLVER-SERVER_TS4-scwrl costs 0 real_cost = 357.41 FPSOLVER-SERVER_TS4 costs 0 real_cost = 360.855 FPSOLVER-SERVER_TS3-scwrl costs 0 real_cost = 336.924 FPSOLVER-SERVER_TS3 costs 0 real_cost = 341.583 FPSOLVER-SERVER_TS2-scwrl costs 0 real_cost = 354.333 FPSOLVER-SERVER_TS2 costs 0 real_cost = 356.415 FPSOLVER-SERVER_TS1-scwrl costs 0 real_cost = 345.447 FPSOLVER-SERVER_TS1 costs 0 real_cost = 348.095 FORTE2_AL5-scwrl costs 0 real_cost = 672.5 FORTE2_AL5 costs 0 real_cost = 826.2 FORTE2_AL4-scwrl costs 0 real_cost = 818.763 FORTE2_AL4 costs 0 real_cost = 936.418 FORTE2_AL3-scwrl costs 0 real_cost = 205.142 FORTE2_AL3 costs 0 real_cost = 399.325 FORTE2_AL2-scwrl costs 0 real_cost = 88.1276 FORTE2_AL2 costs 0 real_cost = 394.365 FORTE2_AL1-scwrl costs 0 real_cost = 41.2192 FORTE2_AL1 costs 0 real_cost = 349.365 FORTE1_AL5-scwrl costs 0 real_cost = 535.276 FORTE1_AL5 costs 0 real_cost = 768.317 FORTE1_AL4-scwrl costs 0 real_cost = 844.238 FORTE1_AL4 costs 0 real_cost = 942.955 FORTE1_AL3-scwrl costs 0 real_cost = 205.142 FORTE1_AL3 costs 0 real_cost = 399.325 FORTE1_AL2-scwrl costs 0 real_cost = 88.1276 FORTE1_AL2 costs 0 real_cost = 394.365 FORTE1_AL1-scwrl costs 0 real_cost = 41.2192 FORTE1_AL1 costs 0 real_cost = 349.365 FOLDpro_TS5-scwrl costs 0 real_cost = -19.7597 FOLDpro_TS5 costs 0 real_cost = -19.759 FOLDpro_TS4-scwrl costs 0 real_cost = -14.4358 FOLDpro_TS4 costs 0 real_cost = -12.8019 FOLDpro_TS3-scwrl costs 0 real_cost = -24.3894 FOLDpro_TS3 costs 0 real_cost = -26.2532 FOLDpro_TS2-scwrl costs 0 real_cost = 7.88726 FOLDpro_TS2 costs 0 real_cost = 8.95777 FOLDpro_TS1-scwrl costs 0 real_cost = -3.01728 FOLDpro_TS1 costs 0 real_cost = -1.51648 FAMS_TS5-scwrl costs 0 real_cost = 188.162 FAMS_TS5 costs 0 real_cost = 189.732 FAMS_TS4-scwrl costs 0 real_cost = 12.7129 FAMS_TS4 costs 0 real_cost = 13.2203 FAMS_TS3-scwrl costs 0 real_cost = 194.429 FAMS_TS3 costs 0 real_cost = 194.076 FAMS_TS2-scwrl costs 0 real_cost = -20.4931 FAMS_TS2 costs 0 real_cost = -24.2755 FAMS_TS1-scwrl costs 0 real_cost = 7.60477 FAMS_TS1 costs 0 real_cost = 7.95211 FAMSD_TS5-scwrl costs 0 real_cost = 67.5656 FAMSD_TS5 costs 0 real_cost = 63.3462 FAMSD_TS4-scwrl costs 0 real_cost = 93.5738 FAMSD_TS4 costs 0 real_cost = 91.0712 FAMSD_TS3-scwrl costs 0 real_cost = 51.0399 FAMSD_TS3 costs 0 real_cost = 48.994 FAMSD_TS2-scwrl costs 0 real_cost = 24.7754 FAMSD_TS2 costs 0 real_cost = 19.0172 FAMSD_TS1-scwrl costs 0 real_cost = -23.1892 FAMSD_TS1 costs 0 real_cost = -26.9395 Distill_TS5-scwrl costs 0 real_cost = 818.903 Distill_TS4-scwrl costs 0 real_cost = 831.626 Distill_TS3-scwrl costs 0 real_cost = 830.267 Distill_TS2-scwrl costs 0 real_cost = 828.184 Distill_TS1-scwrl costs 0 real_cost = 822.682 CaspIta-FOX_TS5-scwrl costs 0 real_cost = 772.541 CaspIta-FOX_TS5 costs 0 real_cost = 764.327 CaspIta-FOX_TS4-scwrl costs 0 real_cost = 628.54 CaspIta-FOX_TS4 costs 0 real_cost = 597.791 CaspIta-FOX_TS3-scwrl costs 0 real_cost = 809.202 CaspIta-FOX_TS3 costs 0 real_cost = 809.009 CaspIta-FOX_TS2-scwrl costs 0 real_cost = 33.6753 CaspIta-FOX_TS2 costs 0 real_cost = 24.2921 CaspIta-FOX_TS1-scwrl costs 0 real_cost = 22.0627 CaspIta-FOX_TS1 costs 0 real_cost = 14.2067 CPHmodels_TS1-scwrl costs 0 real_cost = 312.597 CPHmodels_TS1 costs 0 real_cost = 308.292 CIRCLE_TS5-scwrl costs 0 real_cost = 209.542 CIRCLE_TS5 costs 0 real_cost = 203.007 CIRCLE_TS4-scwrl costs 0 real_cost = 188.162 CIRCLE_TS4 costs 0 real_cost = 189.732 CIRCLE_TS3-scwrl costs 0 real_cost = 205.68 CIRCLE_TS3 costs 0 real_cost = 206.685 CIRCLE_TS2-scwrl costs 0 real_cost = 194.429 CIRCLE_TS2 costs 0 real_cost = 194.076 CIRCLE_TS1-scwrl costs 0 real_cost = 7.60477 CIRCLE_TS1 costs 0 real_cost = 7.95211 Bilab-ENABLE_TS5-scwrl costs 0 real_cost = -8.38708 Bilab-ENABLE_TS5 costs 0 real_cost = -8.38875 Bilab-ENABLE_TS4-scwrl costs 0 real_cost = -14.8101 Bilab-ENABLE_TS4 costs 0 real_cost = -14.7557 Bilab-ENABLE_TS3-scwrl costs 0 real_cost = -6.75487 Bilab-ENABLE_TS3 costs 0 real_cost = -6.75487 Bilab-ENABLE_TS2-scwrl costs 0 real_cost = -19.2462 Bilab-ENABLE_TS2 costs 0 real_cost = -19.0923 Bilab-ENABLE_TS1-scwrl costs 0 real_cost = -18.4298 Bilab-ENABLE_TS1 costs 0 real_cost = -18.4298 BayesHH_TS1-scwrl costs 0 real_cost = -55.0739 BayesHH_TS1 costs 0 real_cost = -50.7168 ABIpro_TS5-scwrl costs 0 real_cost = 316.337 ABIpro_TS5 costs 0 real_cost = 316.579 ABIpro_TS4-scwrl costs 0 real_cost = 327.926 ABIpro_TS4 costs 0 real_cost = 327.725 ABIpro_TS3-scwrl costs 0 real_cost = 316.444 ABIpro_TS3 costs 0 real_cost = 316.443 ABIpro_TS2-scwrl costs 0 real_cost = 326.823 ABIpro_TS2 costs 0 real_cost = 326.823 ABIpro_TS1-scwrl costs 0 real_cost = 322.107 ABIpro_TS1 costs 0 real_cost = 322.113 3Dpro_TS5-scwrl costs 0 real_cost = -12.591 3Dpro_TS5 costs 0 real_cost = -14.2237 3Dpro_TS4-scwrl costs 0 real_cost = -3.01728 3Dpro_TS4 costs 0 real_cost = -1.51648 3Dpro_TS3-scwrl costs 0 real_cost = -15.6106 3Dpro_TS3 costs 0 real_cost = -14.1242 3Dpro_TS2-scwrl costs 0 real_cost = -1.85612 3Dpro_TS2 costs 0 real_cost = -1.00098 3Dpro_TS1-scwrl costs 0 real_cost = -1.5398 3Dpro_TS1 costs 0 real_cost = 2.6046 3D-JIGSAW_TS5-scwrl costs 0 real_cost = 214.568 3D-JIGSAW_TS5 costs 0 real_cost = 216.329 3D-JIGSAW_TS4-scwrl costs 0 real_cost = 219.4 3D-JIGSAW_TS4 costs 0 real_cost = 218.825 3D-JIGSAW_TS3-scwrl costs 0 real_cost = 196.739 3D-JIGSAW_TS3 costs 0 real_cost = 198.322 3D-JIGSAW_TS2-scwrl costs 0 real_cost = 196.618 3D-JIGSAW_TS2 costs 0 real_cost = 200.231 3D-JIGSAW_TS1-scwrl costs 0 real_cost = 210.522 3D-JIGSAW_TS1 costs 0 real_cost = 208.03 3D-JIGSAW_RECOM_TS5-scwrl costs 0 real_cost = 206.349 3D-JIGSAW_RECOM_TS5 costs 0 real_cost = 206.924 3D-JIGSAW_RECOM_TS4-scwrl costs 0 real_cost = 193.513 3D-JIGSAW_RECOM_TS4 costs 0 real_cost = 195.933 3D-JIGSAW_RECOM_TS3-scwrl costs 0 real_cost = 193.572 3D-JIGSAW_RECOM_TS3 costs 0 real_cost = 196.962 3D-JIGSAW_RECOM_TS2-scwrl costs 0 real_cost = 194.97 3D-JIGSAW_RECOM_TS2 costs 0 real_cost = 195.433 3D-JIGSAW_RECOM_TS1-scwrl costs 0 real_cost = 202.529 3D-JIGSAW_RECOM_TS1 costs 0 real_cost = 198.41 3D-JIGSAW_POPULUS_TS5-scwrl costs 0 real_cost = 213.919 3D-JIGSAW_POPULUS_TS5 costs 0 real_cost = 205.212 3D-JIGSAW_POPULUS_TS4-scwrl costs 0 real_cost = 217.456 3D-JIGSAW_POPULUS_TS4 costs 0 real_cost = 209.08 3D-JIGSAW_POPULUS_TS3-scwrl costs 0 real_cost = 202.227 3D-JIGSAW_POPULUS_TS3 costs 0 real_cost = 193.901 3D-JIGSAW_POPULUS_TS2-scwrl costs 0 real_cost = 206.639 3D-JIGSAW_POPULUS_TS2 costs 0 real_cost = 198.228 3D-JIGSAW_POPULUS_TS1-scwrl costs 0 real_cost = 229.912 3D-JIGSAW_POPULUS_TS1 costs 0 real_cost = 221.882 old-6mer//6mer-1gytA-from-try4-opt2 costs 0 real_cost = 74.4367 old-6mer//6mer-1gytA-from-try3-opt2 costs 0 real_cost = 76.2239 dimer//dimer-1gytA-from-try4-opt2 costs 0 real_cost = 74.4367 dimer//dimer-1gytA-from-try3-opt2 costs 0 real_cost = 76.2239 dimer//try2-opt2.repack-nonPC costs 0 real_cost = 75.7244 dimer//try2-opt2 costs 0 real_cost = 73.3495 dimer//try2-opt2.gromacs0.repack-nonPC costs 0 real_cost = 83.1268 dimer//try2-opt2.gromacs0 costs 0 real_cost = 78.3605 dimer//try2-opt1 costs 0 real_cost = 74.311 dimer//try2-opt1-scwrl costs 0 real_cost = 72.6467 dimer//try1-opt2.repack-nonPC costs 0 real_cost = 78.3055 dimer//try1-opt2 costs 0 real_cost = 76.3871 dimer//try1-opt2.gromacs0.repack-nonPC costs 0 real_cost = 79.11 dimer//try1-opt2.gromacs0 costs 0 real_cost = 80.1831 dimer//try1-opt1 costs 0 real_cost = 76.1721 dimer//try1-opt1-scwrl costs 0 real_cost = 75.7436 6mer//6mer-1gytA-from-try4-opt2 costs 0 real_cost = 74.4367 6mer//6mer-1gytA-from-try3-opt2.unpack costs 0 real_cost = 76.2239 6mer//6mer-1gytA-from-try3-opt2 costs 0 real_cost = 76.2239 chimera2.pdb.gz costs 0 real_cost = 67.2204 chimera.pdb.gz costs 0 real_cost = 73.7085 T0318.try4-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 73.3189 T0318.try4-opt2.pdb.gz costs 0 real_cost = 74.0211 T0318.try4-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = 78.9299 T0318.try4-opt2.gromacs0.pdb.gz costs 0 real_cost = 75.7011 T0318.try4-opt1.pdb.gz costs 0 real_cost = 73.119 T0318.try4-opt1-scwrl.pdb.gz costs 0 real_cost = 71.8874 T0318.try3-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 76.9117 T0318.try3-opt2.pdb.gz costs 0 real_cost = 76.2764 T0318.try3-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = 77.9501 T0318.try3-opt2.gromacs0.pdb.gz costs 0 real_cost = 77.7808 T0318.try3-opt1.pdb.gz costs 0 real_cost = 78.2498 T0318.try3-opt1-scwrl.pdb.gz costs 0 real_cost = 78.2895 T0318.try2-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 78.7971 T0318.try2-opt2.pdb.gz costs 0 real_cost = 78.3403 T0318.try2-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = 77.2132 T0318.try2-opt2.gromacs0.pdb.gz costs 0 real_cost = 77.1073 T0318.try2-opt1.pdb.gz costs 0 real_cost = 75.08 T0318.try2-opt1-scwrl.pdb.gz costs 0 real_cost = 75.1448 T0318.try1-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 31.6975 T0318.try1-opt2.pdb.gz costs 0 real_cost = 30.2706 T0318.try1-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = 31.5851 T0318.try1-opt2.gromacs0.pdb.gz costs 0 real_cost = 31.1012 T0318.try1-opt1.pdb.gz costs 0 real_cost = 31.3922 T0318.try1-opt1-scwrl.pdb.gz costs 0 real_cost = 33.4888 ../model5.ts-submitted costs 0 real_cost = 67.0407 ../model4.ts-submitted costs 0 real_cost = 73.7497 ../model3.ts-submitted costs 0 real_cost = 30.1602 ../model2.ts-submitted costs 0 real_cost = 67.1596 ../model1.ts-submitted costs 0 real_cost = 76.2177 align5 costs 0 real_cost = 637.592 align4 costs 0 real_cost = 618.321 align3 costs 0 real_cost = 635.38 align2 costs 0 real_cost = 6.11163 align1 costs 0 real_cost = 68.4401 T0318.try1-opt2.pdb costs 0 real_cost = 30.2662 model5-scwrl costs 0 real_cost = 95.1171 model5.ts-submitted costs 0 real_cost = 67.0407 model4-scwrl costs 0 real_cost = 74.9377 model4.ts-submitted costs 0 real_cost = 73.7497 model3-scwrl costs 0 real_cost = 29.7508 model3.ts-submitted costs 0 real_cost = 30.1602 model2-scwrl costs 0 real_cost = 66.0272 model2.ts-submitted costs 0 real_cost = 67.1596 model1-scwrl costs 0 real_cost = 75.2654 model1.ts-submitted costs 0 real_cost = 76.2163 2hb6A costs 0 real_cost = -888.4 # command:CPU_time= 8133.7 sec, elapsed time= 9122.82 sec) # command:rm -f sort.tmp /projects/compbio/bin/sorttbl real_cost < decoys/evaluate.rdb > sort.tmp mv -f sort.tmp decoys/evaluate.rdb mv -f decoys/evaluate.pretty decoys/evaluate.pretty.old /projects/compbio/experiments/protein-predict/casp7/scripts/prettyscore -terse -targpfx -decpoint < decoys/evaluate.rdb > decoys/evaluate.pretty rm -f decoys/evaluate_1.rdb sed -e s/XXX0000/T0318/ -e s/START_COL/1/ \ -e s/REAL_PDB/2hb6A/ \ -e s/_domain/_1/ \ -e s/read-pdb/read-pdb+servers/ \ -e 's/ReadConformPDBids/# ReadConformPDBids/' \ -e 's/# ReadConformPDB /ReadConformPDB /' \ -e 's/include COSTFCN.costfcn//' \ -e s/.COSTFCN// \ < /projects/compbio/experiments/protein-predict/casp7/starter-directory/evaluate.under \ | nice -2 /projects/compbio/programs/undertaker/undertaker # command:# Seed set to 1175109778 # 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= 5.79212 sec, elapsed time= 5.8419 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= 5.87211 sec, elapsed time= 5.93241 sec) # command:# Prefix for input files set to # command:# Making conformation for sequence T0318 numbered 1 through 491 Created new target T0318 from T0318.a2m # command:# command:# No conformations to remove in PopConform # command:# cleared Id set # command:# command:# ReadConformPDB reading from PDB file T0318_1.real.pdb looking for model 1 Skipped atom 10, because occupancy 5.0000000e-01 <= existing 0.500 in T0318_1.real.pdb Skipped atom 14, because occupancy 0.500 <= existing 0.500 in T0318_1.real.pdb Skipped atom 16, because occupancy 0.500 <= existing 0.500 in T0318_1.real.pdb Skipped atom 18, because occupancy 0.500 <= existing 0.500 in T0318_1.real.pdb Skipped atom 20, because occupancy 0.500 <= existing 0.500 in T0318_1.real.pdb Skipped atom 22, because occupancy 0.500 <= existing 0.500 in T0318_1.real.pdb Skipped atom 265, because occupancy 0.500 <= existing 0.500 in T0318_1.real.pdb Skipped atom 269, because occupancy 0.500 <= existing 0.500 in T0318_1.real.pdb Skipped atom 271, because occupancy 0.500 <= existing 0.500 in T0318_1.real.pdb Skipped atom 273, because occupancy 0.500 <= existing 0.500 in T0318_1.real.pdb Skipped atom 275, because occupancy 0.500 <= existing 0.500 in T0318_1.real.pdb Skipped atom 277, because occupancy 0.500 <= existing 0.500 in T0318_1.real.pdb Skipped atom 321, because occupancy 0.500 <= existing 0.500 in T0318_1.real.pdb Skipped atom 325, because occupancy 0.500 <= existing 0.500 in T0318_1.real.pdb Skipped atom 327, because occupancy 0.500 <= existing 0.500 in T0318_1.real.pdb Skipped atom 329, because occupancy 0.500 <= existing 0.500 in T0318_1.real.pdb Skipped atom 331, because occupancy 0.500 <= existing 0.500 in T0318_1.real.pdb Skipped atom 333, because occupancy 0.500 <= existing 0.500 in T0318_1.real.pdb Skipped atom 457, because occupancy 0.500 <= existing 0.500 in T0318_1.real.pdb Skipped atom 461, because occupancy 0.500 <= existing 0.500 in T0318_1.real.pdb Skipped atom 463, because occupancy 0.500 <= existing 0.500 in T0318_1.real.pdb Skipped atom 465, because occupancy 0.500 <= existing 0.500 in T0318_1.real.pdb Skipped atom 467, because occupancy 0.500 <= existing 0.500 in T0318_1.real.pdb Skipped atom 1142, because occupancy 0.500 <= existing 0.500 in T0318_1.real.pdb Skipped atom 1146, because occupancy 0.500 <= existing 0.500 in T0318_1.real.pdb Skipped atom 1148, because occupancy 0.500 <= existing 0.500 in T0318_1.real.pdb Skipped atom 1150, because occupancy 0.500 <= existing 0.500 in T0318_1.real.pdb Skipped atom 1152, because occupancy 0.500 <= existing 0.500 in T0318_1.real.pdb # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # command:# Saving current conformation as real # command:# Prefix for output files set to decoys/ # command:# SetRealCost created real_cost = # ( 50 * real_hbond + 50 * real_hbond_u + 50 * decoy_hbond + 50 * decoy_hbond_u + 10 * real_NO_hbond + 10 * real_NO_hbond_u + 10 * decoy_NO_hbond + 10 * decoy_NO_hbond_u + 10 * knot + 200 * clens + 0 * rmsd + 35 * log_rmsd + 0 * rmsd_ca + 30 * log_rmsd_ca + 1 * GDT + 1 * smooth_GDT + 0.2 * missing_atoms ) # command:# SetCost created cost = # ) # command:CPU_time= 8.08477 sec, elapsed time= 8.17761 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 478 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -22.8896 # GDT_score(maxd=8,maxw=2.9)= -20.0268 # GDT_score(maxd=8,maxw=3.2)= -18.6766 # GDT_score(maxd=8,maxw=3.5)= -17.4935 # GDT_score(maxd=10,maxw=3.8)= -21.3878 # GDT_score(maxd=10,maxw=4)= -20.5457 # GDT_score(maxd=10,maxw=4.2)= -19.7837 # GDT_score(maxd=12,maxw=4.3)= -23.8692 # GDT_score(maxd=12,maxw=4.5)= -23.0104 # GDT_score(maxd=12,maxw=4.7)= -22.2246 # GDT_score(maxd=14,maxw=5.2)= -23.9576 # GDT_score(maxd=14,maxw=5.5)= -22.8764 # command:# Prefix for output files set to # command:superimposing iter= 0 total_weight= 1816.000 rmsd (weighted)= 11.769 (unweighted)= 64.089 superimposing iter= 1 total_weight= 3231.714 rmsd (weighted)= 6.855 (unweighted)= 64.997 superimposing iter= 2 total_weight= 1659.657 rmsd (weighted)= 5.758 (unweighted)= 64.984 superimposing iter= 3 total_weight= 1370.979 rmsd (weighted)= 5.356 (unweighted)= 64.763 superimposing iter= 4 total_weight= 1276.604 rmsd (weighted)= 5.172 (unweighted)= 64.516 superimposing iter= 5 total_weight= 1237.589 rmsd (weighted)= 5.075 (unweighted)= 64.305 # command:# Prefix for output files set to decoys/ # command:# request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1108485870.pdb -s /var/tmp/to_scwrl_1108485870.seq -o /var/tmp/from_scwrl_1108485870.pdb > /var/tmp/scwrl_1108485870.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1108485870.pdb # conformation set from SCWRL output # command:# naming current conformation model1-scwrl # command:# ReadConformPDB reading from PDB file model2.ts-submitted looking for model 1 # Found a chain break before 478 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -30.6818 # GDT_score(maxd=8,maxw=2.9)= -28.1514 # GDT_score(maxd=8,maxw=3.2)= -26.3101 # GDT_score(maxd=8,maxw=3.5)= -24.6865 # GDT_score(maxd=10,maxw=3.8)= -28.7401 # GDT_score(maxd=10,maxw=4)= -27.6602 # GDT_score(maxd=10,maxw=4.2)= -26.6832 # GDT_score(maxd=12,maxw=4.3)= -30.6172 # GDT_score(maxd=12,maxw=4.5)= -29.5719 # GDT_score(maxd=12,maxw=4.7)= -28.5606 # GDT_score(maxd=14,maxw=5.2)= -29.732 # GDT_score(maxd=14,maxw=5.5)= -28.3602 # command:# request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1211037347.pdb -s /var/tmp/to_scwrl_1211037347.seq -o /var/tmp/from_scwrl_1211037347.pdb > /var/tmp/scwrl_1211037347.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1211037347.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 478 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -19.6429 # GDT_score(maxd=8,maxw=2.9)= -17.0917 # GDT_score(maxd=8,maxw=3.2)= -16.2382 # GDT_score(maxd=8,maxw=3.5)= -15.3983 # GDT_score(maxd=10,maxw=3.8)= -18.2081 # GDT_score(maxd=10,maxw=4)= -17.5899 # GDT_score(maxd=10,maxw=4.2)= -17.0159 # GDT_score(maxd=12,maxw=4.3)= -20.0689 # GDT_score(maxd=12,maxw=4.5)= -19.4176 # GDT_score(maxd=12,maxw=4.7)= -18.8124 # GDT_score(maxd=14,maxw=5.2)= -20.3322 # GDT_score(maxd=14,maxw=5.5)= -19.478 # command:# request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_837167582.pdb -s /var/tmp/to_scwrl_837167582.seq -o /var/tmp/from_scwrl_837167582.pdb > /var/tmp/scwrl_837167582.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_837167582.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 478 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -20.6169 # GDT_score(maxd=8,maxw=2.9)= -16.8452 # GDT_score(maxd=8,maxw=3.2)= -15.7928 # GDT_score(maxd=8,maxw=3.5)= -14.8844 # GDT_score(maxd=10,maxw=3.8)= -18.8442 # GDT_score(maxd=10,maxw=4)= -18.1618 # GDT_score(maxd=10,maxw=4.2)= -17.536 # GDT_score(maxd=12,maxw=4.3)= -21.568 # GDT_score(maxd=12,maxw=4.5)= -20.8273 # GDT_score(maxd=12,maxw=4.7)= -20.1344 # GDT_score(maxd=14,maxw=5.2)= -22.0521 # GDT_score(maxd=14,maxw=5.5)= -21.0811 # command:# request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_883429142.pdb -s /var/tmp/to_scwrl_883429142.seq -o /var/tmp/from_scwrl_883429142.pdb > /var/tmp/scwrl_883429142.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_883429142.pdb # conformation set from SCWRL output # command:# naming current conformation model4-scwrl # command:# ReadConformPDB reading from PDB file model5.ts-submitted looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # command:# fraction of real conformation used = 0.857143 # GDT_score = -18.5065 # GDT_score(maxd=8,maxw=2.9)= -16.8955 # GDT_score(maxd=8,maxw=3.2)= -15.9812 # GDT_score(maxd=8,maxw=3.5)= -15.1533 # GDT_score(maxd=10,maxw=3.8)= -17.542 # GDT_score(maxd=10,maxw=4)= -16.9349 # GDT_score(maxd=10,maxw=4.2)= -16.3759 # GDT_score(maxd=12,maxw=4.3)= -18.9425 # GDT_score(maxd=12,maxw=4.5)= -18.3265 # GDT_score(maxd=12,maxw=4.7)= -17.7401 # GDT_score(maxd=14,maxw=5.2)= -18.7027 # GDT_score(maxd=14,maxw=5.5)= -17.8951 # command:# request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_846108352.pdb -s /var/tmp/to_scwrl_846108352.seq -o /var/tmp/from_scwrl_846108352.pdb > /var/tmp/scwrl_846108352.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_846108352.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 T0318.try1-opt2.pdb looking for model 1 # Found a chain break before 478 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -19.6429 # GDT_score(maxd=8,maxw=2.9)= -17.0955 # GDT_score(maxd=8,maxw=3.2)= -16.2416 # GDT_score(maxd=8,maxw=3.5)= -15.4015 # GDT_score(maxd=10,maxw=3.8)= -18.21 # GDT_score(maxd=10,maxw=4)= -17.5917 # GDT_score(maxd=10,maxw=4.2)= -17.0176 # GDT_score(maxd=12,maxw=4.3)= -20.0706 # GDT_score(maxd=12,maxw=4.5)= -19.4193 # GDT_score(maxd=12,maxw=4.7)= -18.814 # GDT_score(maxd=14,maxw=5.2)= -20.3322 # GDT_score(maxd=14,maxw=5.5)= -19.4781 # command:# Prefix for output files set to # command:superimposing iter= 0 total_weight= 1816.000 rmsd (weighted)= 13.594 (unweighted)= 59.973 superimposing iter= 1 total_weight= 3016.404 rmsd (weighted)= 8.344 (unweighted)= 58.489 superimposing iter= 2 total_weight= 1548.958 rmsd (weighted)= 7.296 (unweighted)= 57.766 superimposing iter= 3 total_weight= 1254.073 rmsd (weighted)= 7.112 (unweighted)= 57.298 superimposing iter= 4 total_weight= 1208.273 rmsd (weighted)= 7.068 (unweighted)= 56.946 superimposing iter= 5 total_weight= 1201.475 rmsd (weighted)= 7.045 (unweighted)= 56.673 # command:# Prefix for output files set to decoys/ # command:# Prefix for input files set to # command:# ReadConformPDB reading from PDB file T0318.undertaker-align.pdb looking for model 1 WARNING: atoms too close: (T0318)R58.C and (T0318)I59.C only 0.000 apart, marking (T0318)I59.C as missing WARNING: atoms too close: (T0318)I59.N and (T0318)P60.N only 0.000 apart, marking (T0318)I59.N as missing WARNING: atoms too close: (T0318)I59.CA and (T0318)P60.CA only 0.000 apart, marking (T0318)I59.CA as missing WARNING: atoms too close: (T0318)E96.C and (T0318)E104.C only 0.000 apart, marking (T0318)E104.C as missing WARNING: atoms too close: (T0318)L97.N and (T0318)D105.N only 0.000 apart, marking (T0318)L97.N as missing WARNING: atoms too close: (T0318)L97.CA and (T0318)D105.CA only 0.000 apart, marking (T0318)L97.CA as missing WARNING: atoms too close: (T0318)F134.C and (T0318)T138.C only 0.000 apart, marking (T0318)T138.C as missing WARNING: atoms too close: (T0318)S135.N and (T0318)S139.N only 0.000 apart, marking (T0318)S135.N as missing WARNING: atoms too close: (T0318)S135.CA and (T0318)S139.CA only 0.000 apart, marking (T0318)S135.CA as missing WARNING: atoms too close: (T0318)V150.C and (T0318)V151.C only 0.000 apart, marking (T0318)V151.C as missing WARNING: atoms too close: (T0318)V151.N and (T0318)C152.N only 0.000 apart, marking (T0318)V151.N as missing WARNING: atoms too close: (T0318)V151.CA and (T0318)C152.CA only 0.000 apart, marking (T0318)V151.CA as missing WARNING: atoms too close: (T0318)A348.C and (T0318)K349.C only 0.000 apart, marking (T0318)K349.C as missing WARNING: atoms too close: (T0318)K349.N and (T0318)E350.N only 0.000 apart, marking (T0318)K349.N as missing WARNING: atoms too close: (T0318)K349.CA and (T0318)E350.CA only 0.000 apart, marking (T0318)K349.CA as missing WARNING: atoms too close: (T0318)N425.C and (T0318)G427.C only 0.000 apart, marking (T0318)G427.C as missing WARNING: atoms too close: (T0318)L426.N and (T0318)K428.N only 0.000 apart, marking (T0318)L426.N as missing WARNING: atoms too close: (T0318)L426.CA and (T0318)K428.CA only 0.000 apart, marking (T0318)L426.CA as missing WARNING: atoms too close: (T0318)I445.C and (T0318)G448.C only 0.000 apart, marking (T0318)G448.C as missing WARNING: atoms too close: (T0318)G446.N and (T0318)E449.N only 0.000 apart, marking (T0318)G446.N as missing WARNING: atoms too close: (T0318)G446.CA and (T0318)E449.CA only 0.000 apart, marking (T0318)G446.CA as missing # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # command:# naming current conformation align1 # command:# fraction of real conformation used = 0.857143 # GDT_score = -18.5065 # GDT_score(maxd=8,maxw=2.9)= -16.8838 # GDT_score(maxd=8,maxw=3.2)= -15.9706 # GDT_score(maxd=8,maxw=3.5)= -15.1438 # GDT_score(maxd=10,maxw=3.8)= -17.5333 # GDT_score(maxd=10,maxw=4)= -16.9265 # GDT_score(maxd=10,maxw=4.2)= -16.3679 # GDT_score(maxd=12,maxw=4.3)= -18.9347 # GDT_score(maxd=12,maxw=4.5)= -18.3191 # GDT_score(maxd=12,maxw=4.7)= -17.733 # GDT_score(maxd=14,maxw=5.2)= -18.6963 # GDT_score(maxd=14,maxw=5.5)= -17.889 # command:# ReadConformPDB reading from PDB file T0318.undertaker-align.pdb looking for model 2 WARNING: atoms too close: (T0318)N145.C and (T0318)N147.C only 0.000 apart, marking (T0318)N147.C as missing WARNING: atoms too close: (T0318)V146.N and (T0318)I148.N only 0.000 apart, marking (T0318)V146.N as missing WARNING: atoms too close: (T0318)V146.CA and (T0318)I148.CA only 0.000 apart, marking (T0318)V146.CA as missing WARNING: atoms too close: (T0318)A348.C and (T0318)K349.C only 0.000 apart, marking (T0318)K349.C as missing WARNING: atoms too close: (T0318)K349.N and (T0318)E350.N only 0.000 apart, marking (T0318)K349.N as missing WARNING: atoms too close: (T0318)K349.CA and (T0318)E350.CA only 0.000 apart, marking (T0318)K349.CA as missing WARNING: atoms too close: (T0318)G431.C and (T0318)P433.C only 0.000 apart, marking (T0318)P433.C as missing WARNING: atoms too close: (T0318)P432.N and (T0318)S434.N only 0.000 apart, marking (T0318)P432.N as missing WARNING: atoms too close: (T0318)P432.CA and (T0318)S434.CA only 0.000 apart, marking (T0318)P432.CA as missing WARNING: atoms too close: (T0318)I445.C and (T0318)G448.C only 0.000 apart, marking (T0318)G448.C as missing WARNING: atoms too close: (T0318)G446.N and (T0318)E449.N only 0.000 apart, marking (T0318)G446.N as missing WARNING: atoms too close: (T0318)G446.CA and (T0318)E449.CA only 0.000 apart, marking (T0318)G446.CA as missing # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # command:# naming current conformation align2 # command:# fraction of real conformation used = 0.896104 # GDT_score = -29.2208 # GDT_score(maxd=8,maxw=2.9)= -26.7365 # GDT_score(maxd=8,maxw=3.2)= -24.9912 # GDT_score(maxd=8,maxw=3.5)= -23.517 # GDT_score(maxd=10,maxw=3.8)= -27.6988 # GDT_score(maxd=10,maxw=4)= -26.6944 # GDT_score(maxd=10,maxw=4.2)= -25.7634 # GDT_score(maxd=12,maxw=4.3)= -29.8145 # GDT_score(maxd=12,maxw=4.5)= -28.8068 # GDT_score(maxd=12,maxw=4.7)= -27.885 # GDT_score(maxd=14,maxw=5.2)= -29.1519 # GDT_score(maxd=14,maxw=5.5)= -27.8875 # command:# ReadConformPDB reading from PDB file T0318.undertaker-align.pdb looking for model 3 WARNING: atoms too close: (T0318)F162.C and (T0318)T164.C only 0.000 apart, marking (T0318)T164.C as missing WARNING: atoms too close: (T0318)L163.N and (T0318)D165.N only 0.000 apart, marking (T0318)L163.N as missing WARNING: atoms too close: (T0318)L163.CA and (T0318)D165.CA only 0.000 apart, marking (T0318)L163.CA as missing WARNING: atoms too close: (T0318)V240.C and (T0318)P241.C only 0.000 apart, marking (T0318)P241.C as missing WARNING: atoms too close: (T0318)P241.N and (T0318)G242.N only 0.000 apart, marking (T0318)P241.N as missing WARNING: atoms too close: (T0318)P241.CA and (T0318)G242.CA only 0.000 apart, marking (T0318)P241.CA as missing WARNING: atoms too close: (T0318)G253.C and (T0318)Q262.C only 0.000 apart, marking (T0318)Q262.C as missing WARNING: atoms too close: (T0318)V254.N and (T0318)I263.N only 0.000 apart, marking (T0318)V254.N as missing WARNING: atoms too close: (T0318)V254.CA and (T0318)I263.CA only 0.000 apart, marking (T0318)V254.CA as missing WARNING: atoms too close: (T0318)L363.C and (T0318)W369.C only 0.000 apart, marking (T0318)W369.C as missing WARNING: atoms too close: (T0318)T364.N and (T0318)L370.N only 0.000 apart, marking (T0318)T364.N as missing WARNING: atoms too close: (T0318)T364.CA and (T0318)L370.CA only 0.000 apart, marking (T0318)T364.CA as missing WARNING: atoms too close: (T0318)S434.C and (T0318)I441.C only 0.000 apart, marking (T0318)I441.C as missing WARNING: atoms too close: (T0318)A435.N and (T0318)G442.N only 0.000 apart, marking (T0318)A435.N as missing WARNING: atoms too close: (T0318)A435.CA and (T0318)G442.CA only 0.000 apart, marking (T0318)A435.CA as missing WARNING: atoms too close: (T0318)I445.C and (T0318)F447.C only 0.000 apart, marking (T0318)F447.C as missing WARNING: atoms too close: (T0318)G446.N and (T0318)G448.N only 0.000 apart, marking (T0318)G446.N as missing WARNING: atoms too close: (T0318)G446.CA and (T0318)G448.CA only 0.000 apart, marking (T0318)G446.CA as missing # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # command:# naming current conformation align3 # command:# ReadConformPDB reading from PDB file T0318.undertaker-align.pdb looking for model 4 WARNING: atoms too close: (T0318)F162.C and (T0318)T164.C only 0.000 apart, marking (T0318)T164.C as missing WARNING: atoms too close: (T0318)L163.N and (T0318)D165.N only 0.000 apart, marking (T0318)L163.N as missing WARNING: atoms too close: (T0318)L163.CA and (T0318)D165.CA only 0.000 apart, marking (T0318)L163.CA as missing WARNING: atoms too close: (T0318)V240.C and (T0318)P241.C only 0.000 apart, marking (T0318)P241.C as missing WARNING: atoms too close: (T0318)P241.N and (T0318)G242.N only 0.000 apart, marking (T0318)P241.N as missing WARNING: atoms too close: (T0318)P241.CA and (T0318)G242.CA only 0.000 apart, marking (T0318)P241.CA as missing WARNING: atoms too close: (T0318)K252.C and (T0318)L261.C only 0.000 apart, marking (T0318)L261.C as missing WARNING: atoms too close: (T0318)G253.N and (T0318)Q262.N only 0.000 apart, marking (T0318)G253.N as missing WARNING: atoms too close: (T0318)G253.CA and (T0318)Q262.CA only 0.000 apart, marking (T0318)G253.CA as missing WARNING: atoms too close: (T0318)L363.C and (T0318)W369.C only 0.000 apart, marking (T0318)W369.C as missing WARNING: atoms too close: (T0318)T364.N and (T0318)L370.N only 0.000 apart, marking (T0318)T364.N as missing WARNING: atoms too close: (T0318)T364.CA and (T0318)L370.CA only 0.000 apart, marking (T0318)T364.CA as missing WARNING: atoms too close: (T0318)D408.C and (T0318)G427.C only 0.000 apart, marking (T0318)G427.C as missing WARNING: atoms too close: (T0318)L409.N and (T0318)K428.N only 0.000 apart, marking (T0318)L409.N as missing WARNING: atoms too close: (T0318)L409.CA and (T0318)K428.CA only 0.000 apart, marking (T0318)L409.CA as missing WARNING: atoms too close: (T0318)P432.C and (T0318)G442.C only 0.000 apart, marking (T0318)G442.C as missing WARNING: atoms too close: (T0318)P433.N and (T0318)A443.N only 0.000 apart, marking (T0318)P433.N as missing WARNING: atoms too close: (T0318)P433.CA and (T0318)A443.CA only 0.000 apart, marking (T0318)P433.CA as missing WARNING: atoms too close: (T0318)I445.C and (T0318)F447.C only 0.000 apart, marking (T0318)F447.C as missing WARNING: atoms too close: (T0318)G446.N and (T0318)G448.N only 0.000 apart, marking (T0318)G446.N as missing WARNING: atoms too close: (T0318)G446.CA and (T0318)G448.CA only 0.000 apart, marking (T0318)G446.CA as missing # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # command:# naming current conformation align4 # command:# ReadConformPDB reading from PDB file T0318.undertaker-align.pdb looking for model 5 WARNING: atoms too close: (T0318)F162.C and (T0318)T164.C only 0.000 apart, marking (T0318)T164.C as missing WARNING: atoms too close: (T0318)L163.N and (T0318)D165.N only 0.000 apart, marking (T0318)L163.N as missing WARNING: atoms too close: (T0318)L163.CA and (T0318)D165.CA only 0.000 apart, marking (T0318)L163.CA as missing WARNING: atoms too close: (T0318)L363.C and (T0318)W369.C only 0.000 apart, marking (T0318)W369.C as missing WARNING: atoms too close: (T0318)T364.N and (T0318)L370.N only 0.000 apart, marking (T0318)T364.N as missing WARNING: atoms too close: (T0318)T364.CA and (T0318)L370.CA only 0.000 apart, marking (T0318)T364.CA as missing WARNING: atoms too close: (T0318)P433.C and (T0318)I441.C only 0.000 apart, marking (T0318)I441.C as missing WARNING: atoms too close: (T0318)S434.N and (T0318)G442.N only 0.000 apart, marking (T0318)S434.N as missing WARNING: atoms too close: (T0318)S434.CA and (T0318)G442.CA only 0.000 apart, marking (T0318)S434.CA as missing WARNING: atoms too close: (T0318)I445.C and (T0318)F447.C only 0.000 apart, marking (T0318)F447.C as missing WARNING: atoms too close: (T0318)G446.N and (T0318)G448.N only 0.000 apart, marking (T0318)G446.N as missing WARNING: atoms too close: (T0318)G446.CA and (T0318)G448.CA only 0.000 apart, marking (T0318)G446.CA as missing # WARNING: incomplete conformation T0318 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 478 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model2.ts-submitted looking for model 1 # Found a chain break before 478 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model3.ts-submitted looking for model 1 # Found a chain break before 478 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model4.ts-submitted looking for model 1 # Found a chain break before 478 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model5.ts-submitted looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # ReadConformPDB reading from PDB file T0318.try1-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 478 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0318.try1-opt1.pdb.gz looking for model 1 # Found a chain break before 478 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0318.try1-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 486 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0318.try1-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 486 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0318.try1-opt2.pdb.gz looking for model 1 # Found a chain break before 478 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0318.try1-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 478 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0318.try2-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 478 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0318.try2-opt1.pdb.gz looking for model 1 # Found a chain break before 478 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0318.try2-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 483 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0318.try2-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 483 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0318.try2-opt2.pdb.gz looking for model 1 # Found a chain break before 478 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0318.try2-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 478 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0318.try3-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 478 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0318.try3-opt1.pdb.gz looking for model 1 # Found a chain break before 478 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0318.try3-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 486 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0318.try3-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 486 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0318.try3-opt2.pdb.gz looking for model 1 # Found a chain break before 478 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0318.try3-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 478 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0318.try4-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 478 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0318.try4-opt1.pdb.gz looking for model 1 # Found a chain break before 478 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0318.try4-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 486 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0318.try4-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 486 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0318.try4-opt2.pdb.gz looking for model 1 # Found a chain break before 478 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0318.try4-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 478 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file chimera.pdb.gz looking for model 1 # Found a chain break before 478 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file chimera2.pdb.gz looking for model 1 # Found a chain break before 478 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../6mer/decoys/6mer-1gytA-from-try3-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 478 # copying to AlignedFragments data structure # naming current conformation 6mer//6mer-1gytA-from-try3-opt2 # ReadConformPDB reading from PDB file ../6mer/decoys/6mer-1gytA-from-try3-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 478 # copying to AlignedFragments data structure # naming current conformation 6mer//6mer-1gytA-from-try3-opt2.unpack # ReadConformPDB reading from PDB file ../6mer/decoys/6mer-1gytA-from-try4-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 478 # copying to AlignedFragments data structure # naming current conformation 6mer//6mer-1gytA-from-try4-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0318.try1-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 478 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0318.try1-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 478 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0318.try1-opt2.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 490 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt2.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0318.try1-opt2.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 490 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt2.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0318.try1-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 478 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0318.try1-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 478 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0318.try2-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 478 # copying to AlignedFragments data structure # naming current conformation dimer//try2-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0318.try2-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 478 # copying to AlignedFragments data structure # naming current conformation dimer//try2-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0318.try2-opt2.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 490 # copying to AlignedFragments data structure # naming current conformation dimer//try2-opt2.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0318.try2-opt2.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 490 # copying to AlignedFragments data structure # naming current conformation dimer//try2-opt2.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0318.try2-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 478 # copying to AlignedFragments data structure # naming current conformation dimer//try2-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0318.try2-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 478 # copying to AlignedFragments data structure # naming current conformation dimer//try2-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/dimer-1gytA-from-try3-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 478 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-1gytA-from-try3-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/dimer-1gytA-from-try4-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 478 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-1gytA-from-try4-opt2 # ReadConformPDB reading from PDB file ../old-6mer/decoys/6mer-1gytA-from-try3-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 478 # copying to AlignedFragments data structure # naming current conformation old-6mer//6mer-1gytA-from-try3-opt2 # ReadConformPDB reading from PDB file ../old-6mer/decoys/6mer-1gytA-from-try4-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 478 # copying to AlignedFragments data structure # naming current conformation old-6mer//6mer-1gytA-from-try4-opt2 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1027399063.pdb -s /var/tmp/to_scwrl_1027399063.seq -o /var/tmp/from_scwrl_1027399063.pdb > /var/tmp/scwrl_1027399063.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1027399063.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_POPULUS_TS1-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1164332310.pdb -s /var/tmp/to_scwrl_1164332310.seq -o /var/tmp/from_scwrl_1164332310.pdb > /var/tmp/scwrl_1164332310.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1164332310.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 T0318 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_901397194.pdb -s /var/tmp/to_scwrl_901397194.seq -o /var/tmp/from_scwrl_901397194.pdb > /var/tmp/scwrl_901397194.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_901397194.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_POPULUS_TS3-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_245495261.pdb -s /var/tmp/to_scwrl_245495261.seq -o /var/tmp/from_scwrl_245495261.pdb > /var/tmp/scwrl_245495261.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_245495261.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_POPULUS_TS4-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_338478252.pdb -s /var/tmp/to_scwrl_338478252.seq -o /var/tmp/from_scwrl_338478252.pdb > /var/tmp/scwrl_338478252.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_338478252.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 T0318 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_345565890.pdb -s /var/tmp/to_scwrl_345565890.seq -o /var/tmp/from_scwrl_345565890.pdb > /var/tmp/scwrl_345565890.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_345565890.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 T0318 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_700932558.pdb -s /var/tmp/to_scwrl_700932558.seq -o /var/tmp/from_scwrl_700932558.pdb > /var/tmp/scwrl_700932558.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_700932558.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 T0318 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1690815235.pdb -s /var/tmp/to_scwrl_1690815235.seq -o /var/tmp/from_scwrl_1690815235.pdb > /var/tmp/scwrl_1690815235.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1690815235.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 T0318 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_878028494.pdb -s /var/tmp/to_scwrl_878028494.seq -o /var/tmp/from_scwrl_878028494.pdb > /var/tmp/scwrl_878028494.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_878028494.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 T0318 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_148973606.pdb -s /var/tmp/to_scwrl_148973606.seq -o /var/tmp/from_scwrl_148973606.pdb > /var/tmp/scwrl_148973606.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_148973606.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 T0318 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1166810472.pdb -s /var/tmp/to_scwrl_1166810472.seq -o /var/tmp/from_scwrl_1166810472.pdb > /var/tmp/scwrl_1166810472.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1166810472.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 T0318 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1327630595.pdb -s /var/tmp/to_scwrl_1327630595.seq -o /var/tmp/from_scwrl_1327630595.pdb > /var/tmp/scwrl_1327630595.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1327630595.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 T0318 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1378693709.pdb -s /var/tmp/to_scwrl_1378693709.seq -o /var/tmp/from_scwrl_1378693709.pdb > /var/tmp/scwrl_1378693709.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1378693709.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 T0318 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_607626948.pdb -s /var/tmp/to_scwrl_607626948.seq -o /var/tmp/from_scwrl_607626948.pdb > /var/tmp/scwrl_607626948.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_607626948.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_TS4-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1504275774.pdb -s /var/tmp/to_scwrl_1504275774.seq -o /var/tmp/from_scwrl_1504275774.pdb > /var/tmp/scwrl_1504275774.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1504275774.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 487 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_705108093.pdb -s /var/tmp/to_scwrl_705108093.seq -o /var/tmp/from_scwrl_705108093.pdb > /var/tmp/scwrl_705108093.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_705108093.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 487 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_48159155.pdb -s /var/tmp/to_scwrl_48159155.seq -o /var/tmp/from_scwrl_48159155.pdb > /var/tmp/scwrl_48159155.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_48159155.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 490 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_671240321.pdb -s /var/tmp/to_scwrl_671240321.seq -o /var/tmp/from_scwrl_671240321.pdb > /var/tmp/scwrl_671240321.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_671240321.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 471 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1606533622.pdb -s /var/tmp/to_scwrl_1606533622.seq -o /var/tmp/from_scwrl_1606533622.pdb > /var/tmp/scwrl_1606533622.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1606533622.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 472 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1132112899.pdb -s /var/tmp/to_scwrl_1132112899.seq -o /var/tmp/from_scwrl_1132112899.pdb > /var/tmp/scwrl_1132112899.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1132112899.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 485 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_2114099868.pdb -s /var/tmp/to_scwrl_2114099868.seq -o /var/tmp/from_scwrl_2114099868.pdb > /var/tmp/scwrl_2114099868.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2114099868.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 478 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_759841267.pdb -s /var/tmp/to_scwrl_759841267.seq -o /var/tmp/from_scwrl_759841267.pdb > /var/tmp/scwrl_759841267.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_759841267.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 482 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1906854131.pdb -s /var/tmp/to_scwrl_1906854131.seq -o /var/tmp/from_scwrl_1906854131.pdb > /var/tmp/scwrl_1906854131.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1906854131.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 486 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_663565521.pdb -s /var/tmp/to_scwrl_663565521.seq -o /var/tmp/from_scwrl_663565521.pdb > /var/tmp/scwrl_663565521.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_663565521.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 488 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_112865918.pdb -s /var/tmp/to_scwrl_112865918.seq -o /var/tmp/from_scwrl_112865918.pdb > /var/tmp/scwrl_112865918.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_112865918.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 486 # copying to AlignedFragments data structure # naming current conformation BayesHH_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_753037177.pdb -s /var/tmp/to_scwrl_753037177.seq -o /var/tmp/from_scwrl_753037177.pdb > /var/tmp/scwrl_753037177.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_753037177.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 490 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1772051391.pdb -s /var/tmp/to_scwrl_1772051391.seq -o /var/tmp/from_scwrl_1772051391.pdb > /var/tmp/scwrl_1772051391.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1772051391.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 490 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1323903265.pdb -s /var/tmp/to_scwrl_1323903265.seq -o /var/tmp/from_scwrl_1323903265.pdb > /var/tmp/scwrl_1323903265.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1323903265.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 490 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1590204758.pdb -s /var/tmp/to_scwrl_1590204758.seq -o /var/tmp/from_scwrl_1590204758.pdb > /var/tmp/scwrl_1590204758.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1590204758.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 490 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_507996887.pdb -s /var/tmp/to_scwrl_507996887.seq -o /var/tmp/from_scwrl_507996887.pdb > /var/tmp/scwrl_507996887.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_507996887.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 490 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_22527970.pdb -s /var/tmp/to_scwrl_22527970.seq -o /var/tmp/from_scwrl_22527970.pdb > /var/tmp/scwrl_22527970.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_22527970.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 489 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_470120174.pdb -s /var/tmp/to_scwrl_470120174.seq -o /var/tmp/from_scwrl_470120174.pdb > /var/tmp/scwrl_470120174.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_470120174.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 T0318 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1672329197.pdb -s /var/tmp/to_scwrl_1672329197.seq -o /var/tmp/from_scwrl_1672329197.pdb > /var/tmp/scwrl_1672329197.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1672329197.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS2-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_923925165.pdb -s /var/tmp/to_scwrl_923925165.seq -o /var/tmp/from_scwrl_923925165.pdb > /var/tmp/scwrl_923925165.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_923925165.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS3-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_715615435.pdb -s /var/tmp/to_scwrl_715615435.seq -o /var/tmp/from_scwrl_715615435.pdb > /var/tmp/scwrl_715615435.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_715615435.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS4-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_2010807450.pdb -s /var/tmp/to_scwrl_2010807450.seq -o /var/tmp/from_scwrl_2010807450.pdb > /var/tmp/scwrl_2010807450.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2010807450.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS5-scwrl # ReadConformPDB reading from PDB file servers/CPHmodels_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation CPHmodels_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1269491054.pdb -s /var/tmp/to_scwrl_1269491054.seq -o /var/tmp/from_scwrl_1269491054.pdb > /var/tmp/scwrl_1269491054.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1269491054.pdb # conformation set from SCWRL output # naming current conformation CPHmodels_TS1-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1416547992.pdb -s /var/tmp/to_scwrl_1416547992.seq -o /var/tmp/from_scwrl_1416547992.pdb > /var/tmp/scwrl_1416547992.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1416547992.pdb # conformation set from SCWRL output # naming current conformation CaspIta-FOX_TS1-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1554139038.pdb -s /var/tmp/to_scwrl_1554139038.seq -o /var/tmp/from_scwrl_1554139038.pdb > /var/tmp/scwrl_1554139038.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1554139038.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 T0318 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_35901.pdb -s /var/tmp/to_scwrl_35901.seq -o /var/tmp/from_scwrl_35901.pdb > /var/tmp/scwrl_35901.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_35901.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: atoms too close: (T0318)D318.C and (T0318)I319.N only 0.000 apart, marking (T0318)I319.N as missing WARNING: atoms too close: (T0318)I319.N and (T0318)I319.CA only 0.000 apart, marking (T0318)I319.CA as missing WARNING: atoms too close: (T0318)D318.C and (T0318)I319.CA only 0.000 apart, marking (T0318)I319.CA as missing WARNING: atoms too close: (T0318)I319.CA and (T0318)I319.CB only 0.000 apart, marking (T0318)I319.CB as missing WARNING: atoms too close: (T0318)I319.N and (T0318)I319.CB only 0.000 apart, marking (T0318)I319.CB as missing WARNING: atoms too close: (T0318)D318.C and (T0318)I319.CB only 0.000 apart, marking (T0318)I319.CB as missing WARNING: atoms too close: (T0318)I319.CB and (T0318)I319.CG1 only 0.000 apart, marking (T0318)I319.CG1 as missing WARNING: atoms too close: (T0318)I319.CA and (T0318)I319.CG1 only 0.000 apart, marking (T0318)I319.CG1 as missing WARNING: atoms too close: (T0318)I319.N and (T0318)I319.CG1 only 0.000 apart, marking (T0318)I319.CG1 as missing WARNING: atoms too close: (T0318)D318.C and (T0318)I319.CG1 only 0.000 apart, marking (T0318)I319.CG1 as missing WARNING: atoms too close: (T0318)I319.CG1 and (T0318)I319.CG2 only 0.000 apart, marking (T0318)I319.CG2 as missing WARNING: atoms too close: (T0318)I319.CB and (T0318)I319.CG2 only 0.000 apart, marking (T0318)I319.CG2 as missing WARNING: atoms too close: (T0318)I319.CA and (T0318)I319.CG2 only 0.000 apart, marking (T0318)I319.CG2 as missing WARNING: atoms too close: (T0318)I319.N and (T0318)I319.CG2 only 0.000 apart, marking (T0318)I319.CG2 as missing WARNING: atoms too close: (T0318)D318.C and (T0318)I319.CG2 only 0.000 apart, marking (T0318)I319.CG2 as missing WARNING: atoms too close: (T0318)I319.CG2 and (T0318)I319.CD1 only 0.000 apart, marking (T0318)I319.CD1 as missing WARNING: atoms too close: (T0318)I319.CG1 and (T0318)I319.CD1 only 0.000 apart, marking (T0318)I319.CD1 as missing WARNING: atoms too close: (T0318)I319.CB and (T0318)I319.CD1 only 0.000 apart, marking (T0318)I319.CD1 as missing WARNING: atoms too close: (T0318)I319.CA and (T0318)I319.CD1 only 0.000 apart, marking (T0318)I319.CD1 as missing WARNING: atoms too close: (T0318)I319.N and (T0318)I319.CD1 only 0.000 apart, marking (T0318)I319.CD1 as missing WARNING: atoms too close: (T0318)D318.C and (T0318)I319.CD1 only 0.000 apart, marking (T0318)I319.CD1 as missing WARNING: atoms too close: (T0318)I319.CD1 and (T0318)I319.O only 0.000 apart, marking (T0318)I319.O as missing WARNING: atoms too close: (T0318)I319.CG2 and (T0318)I319.O only 0.000 apart, marking (T0318)I319.O as missing WARNING: atoms too close: (T0318)I319.CG1 and (T0318)I319.O only 0.000 apart, marking (T0318)I319.O as missing WARNING: atoms too close: (T0318)I319.CB and (T0318)I319.O only 0.000 apart, marking (T0318)I319.O as missing WARNING: atoms too close: (T0318)I319.CA and (T0318)I319.O only 0.000 apart, marking (T0318)I319.O as missing WARNING: atoms too close: (T0318)I319.N and (T0318)I319.O only 0.000 apart, marking (T0318)I319.O as missing WARNING: atoms too close: (T0318)D318.C and (T0318)I319.O only 0.000 apart, marking (T0318)I319.O as missing WARNING: atoms too close: (T0318)I319.O and (T0318)I319.C only 0.000 apart, marking (T0318)I319.C as missing WARNING: atoms too close: (T0318)I319.CD1 and (T0318)I319.C only 0.000 apart, marking (T0318)I319.C as missing WARNING: atoms too close: (T0318)I319.CG2 and (T0318)I319.C only 0.000 apart, marking (T0318)I319.C as missing WARNING: atoms too close: (T0318)I319.CG1 and (T0318)I319.C only 0.000 apart, marking (T0318)I319.C as missing WARNING: atoms too close: (T0318)I319.CB and (T0318)I319.C only 0.000 apart, marking (T0318)I319.C as missing WARNING: atoms too close: (T0318)I319.CA and (T0318)I319.C only 0.000 apart, marking (T0318)I319.C as missing WARNING: atoms too close: (T0318)I319.N and (T0318)I319.C only 0.000 apart, marking (T0318)I319.C as missing WARNING: atoms too close: (T0318)D318.C and (T0318)I319.C only 0.000 apart, marking (T0318)I319.C as missing # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1565521599.pdb -s /var/tmp/to_scwrl_1565521599.seq -o /var/tmp/from_scwrl_1565521599.pdb > /var/tmp/scwrl_1565521599.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1565521599.pdb # conformation set from SCWRL output # naming current conformation CaspIta-FOX_TS4-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_573465864.pdb -s /var/tmp/to_scwrl_573465864.seq -o /var/tmp/from_scwrl_573465864.pdb > /var/tmp/scwrl_573465864.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_573465864.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 T0318 can't currently be optimized by undertaker # naming current conformation Distill_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1327666496.pdb -s /var/tmp/to_scwrl_1327666496.seq -o /var/tmp/from_scwrl_1327666496.pdb > /var/tmp/scwrl_1327666496.log Error: Couldn't open file /var/tmp/from_scwrl_1327666496.pdb or /var/tmp/from_scwrl_1327666496.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1327666496_b.pdb or decoys//var/tmp/from_scwrl_1327666496_b.pdb.gz for input Trying /var/tmp/from_scwrl_1327666496_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1327666496_b.pdb or /var/tmp/from_scwrl_1327666496_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1327666496_a.pdb or decoys//var/tmp/from_scwrl_1327666496_a.pdb.gz for input Trying /var/tmp/from_scwrl_1327666496_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1327666496_a.pdb or /var/tmp/from_scwrl_1327666496_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1327666496.pdb or /var/tmp/from_scwrl_1327666496_b.pdb or /var/tmp/from_scwrl_1327666496_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 T0318 can't currently be optimized by undertaker # naming current conformation Distill_TS2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_796731662.pdb -s /var/tmp/to_scwrl_796731662.seq -o /var/tmp/from_scwrl_796731662.pdb > /var/tmp/scwrl_796731662.log Error: Couldn't open file /var/tmp/from_scwrl_796731662.pdb or /var/tmp/from_scwrl_796731662.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_796731662_b.pdb or decoys//var/tmp/from_scwrl_796731662_b.pdb.gz for input Trying /var/tmp/from_scwrl_796731662_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_796731662_b.pdb or /var/tmp/from_scwrl_796731662_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_796731662_a.pdb or decoys//var/tmp/from_scwrl_796731662_a.pdb.gz for input Trying /var/tmp/from_scwrl_796731662_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_796731662_a.pdb or /var/tmp/from_scwrl_796731662_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_796731662.pdb or /var/tmp/from_scwrl_796731662_b.pdb or /var/tmp/from_scwrl_796731662_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 T0318 can't currently be optimized by undertaker # naming current conformation Distill_TS3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1181092811.pdb -s /var/tmp/to_scwrl_1181092811.seq -o /var/tmp/from_scwrl_1181092811.pdb > /var/tmp/scwrl_1181092811.log Error: Couldn't open file /var/tmp/from_scwrl_1181092811.pdb or /var/tmp/from_scwrl_1181092811.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1181092811_b.pdb or decoys//var/tmp/from_scwrl_1181092811_b.pdb.gz for input Trying /var/tmp/from_scwrl_1181092811_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1181092811_b.pdb or /var/tmp/from_scwrl_1181092811_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1181092811_a.pdb or decoys//var/tmp/from_scwrl_1181092811_a.pdb.gz for input Trying /var/tmp/from_scwrl_1181092811_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1181092811_a.pdb or /var/tmp/from_scwrl_1181092811_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1181092811.pdb or /var/tmp/from_scwrl_1181092811_b.pdb or /var/tmp/from_scwrl_1181092811_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 T0318 can't currently be optimized by undertaker # naming current conformation Distill_TS4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_684458624.pdb -s /var/tmp/to_scwrl_684458624.seq -o /var/tmp/from_scwrl_684458624.pdb > /var/tmp/scwrl_684458624.log Error: Couldn't open file /var/tmp/from_scwrl_684458624.pdb or /var/tmp/from_scwrl_684458624.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_684458624_b.pdb or decoys//var/tmp/from_scwrl_684458624_b.pdb.gz for input Trying /var/tmp/from_scwrl_684458624_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_684458624_b.pdb or /var/tmp/from_scwrl_684458624_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_684458624_a.pdb or decoys//var/tmp/from_scwrl_684458624_a.pdb.gz for input Trying /var/tmp/from_scwrl_684458624_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_684458624_a.pdb or /var/tmp/from_scwrl_684458624_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_684458624.pdb or /var/tmp/from_scwrl_684458624_b.pdb or /var/tmp/from_scwrl_684458624_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 T0318 can't currently be optimized by undertaker # naming current conformation Distill_TS5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1501839754.pdb -s /var/tmp/to_scwrl_1501839754.seq -o /var/tmp/from_scwrl_1501839754.pdb > /var/tmp/scwrl_1501839754.log Error: Couldn't open file /var/tmp/from_scwrl_1501839754.pdb or /var/tmp/from_scwrl_1501839754.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1501839754_b.pdb or decoys//var/tmp/from_scwrl_1501839754_b.pdb.gz for input Trying /var/tmp/from_scwrl_1501839754_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1501839754_b.pdb or /var/tmp/from_scwrl_1501839754_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1501839754_a.pdb or decoys//var/tmp/from_scwrl_1501839754_a.pdb.gz for input Trying /var/tmp/from_scwrl_1501839754_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1501839754_a.pdb or /var/tmp/from_scwrl_1501839754_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1501839754.pdb or /var/tmp/from_scwrl_1501839754_b.pdb or /var/tmp/from_scwrl_1501839754_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 490 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1229251967.pdb -s /var/tmp/to_scwrl_1229251967.seq -o /var/tmp/from_scwrl_1229251967.pdb > /var/tmp/scwrl_1229251967.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1229251967.pdb # conformation set from SCWRL output # naming current conformation FAMSD_TS1-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation FAMSD_TS2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1355698944.pdb -s /var/tmp/to_scwrl_1355698944.seq -o /var/tmp/from_scwrl_1355698944.pdb > /var/tmp/scwrl_1355698944.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1355698944.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 T0318 can't currently be optimized by undertaker # naming current conformation FAMSD_TS3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_960889730.pdb -s /var/tmp/to_scwrl_960889730.seq -o /var/tmp/from_scwrl_960889730.pdb > /var/tmp/scwrl_960889730.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_960889730.pdb # conformation set from SCWRL output # naming current conformation FAMSD_TS3-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation FAMSD_TS4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_213881220.pdb -s /var/tmp/to_scwrl_213881220.seq -o /var/tmp/from_scwrl_213881220.pdb > /var/tmp/scwrl_213881220.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_213881220.pdb # conformation set from SCWRL output # naming current conformation FAMSD_TS4-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation FAMSD_TS5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1322315166.pdb -s /var/tmp/to_scwrl_1322315166.seq -o /var/tmp/from_scwrl_1322315166.pdb > /var/tmp/scwrl_1322315166.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1322315166.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 489 # copying to AlignedFragments data structure # naming current conformation FAMS_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1720730997.pdb -s /var/tmp/to_scwrl_1720730997.seq -o /var/tmp/from_scwrl_1720730997.pdb > /var/tmp/scwrl_1720730997.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1720730997.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS1-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FAMS_TS2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_2120735351.pdb -s /var/tmp/to_scwrl_2120735351.seq -o /var/tmp/from_scwrl_2120735351.pdb > /var/tmp/scwrl_2120735351.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2120735351.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 T0318 can't currently be optimized by undertaker # naming current conformation FAMS_TS3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1985880687.pdb -s /var/tmp/to_scwrl_1985880687.seq -o /var/tmp/from_scwrl_1985880687.pdb > /var/tmp/scwrl_1985880687.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1985880687.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 487 # copying to AlignedFragments data structure # naming current conformation FAMS_TS4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1833596915.pdb -s /var/tmp/to_scwrl_1833596915.seq -o /var/tmp/from_scwrl_1833596915.pdb > /var/tmp/scwrl_1833596915.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1833596915.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 T0318 can't currently be optimized by undertaker # naming current conformation FAMS_TS5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_726288882.pdb -s /var/tmp/to_scwrl_726288882.seq -o /var/tmp/from_scwrl_726288882.pdb > /var/tmp/scwrl_726288882.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_726288882.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 471 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1610448432.pdb -s /var/tmp/to_scwrl_1610448432.seq -o /var/tmp/from_scwrl_1610448432.pdb > /var/tmp/scwrl_1610448432.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1610448432.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 471 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1010016535.pdb -s /var/tmp/to_scwrl_1010016535.seq -o /var/tmp/from_scwrl_1010016535.pdb > /var/tmp/scwrl_1010016535.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1010016535.pdb # conformation set from SCWRL output # naming current conformation FOLDpro_TS2-scwrl # ReadConformPDB reading from PDB file servers/FOLDpro_TS3.pdb.gz looking for model 1 # Found a chain break before 471 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_169009993.pdb -s /var/tmp/to_scwrl_169009993.seq -o /var/tmp/from_scwrl_169009993.pdb > /var/tmp/scwrl_169009993.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_169009993.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 472 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_2118445319.pdb -s /var/tmp/to_scwrl_2118445319.seq -o /var/tmp/from_scwrl_2118445319.pdb > /var/tmp/scwrl_2118445319.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2118445319.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 471 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1032544505.pdb -s /var/tmp/to_scwrl_1032544505.seq -o /var/tmp/from_scwrl_1032544505.pdb > /var/tmp/scwrl_1032544505.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1032544505.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 T0318 can't currently be optimized by undertaker # naming current conformation FORTE1_AL1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_639130168.pdb -s /var/tmp/to_scwrl_639130168.seq -o /var/tmp/from_scwrl_639130168.pdb > /var/tmp/scwrl_639130168.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_639130168.pdb # conformation set from SCWRL output # naming current conformation FORTE1_AL1-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation FORTE1_AL2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1643290869.pdb -s /var/tmp/to_scwrl_1643290869.seq -o /var/tmp/from_scwrl_1643290869.pdb > /var/tmp/scwrl_1643290869.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1643290869.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 T0318 can't currently be optimized by undertaker # naming current conformation FORTE1_AL3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1956469669.pdb -s /var/tmp/to_scwrl_1956469669.seq -o /var/tmp/from_scwrl_1956469669.pdb > /var/tmp/scwrl_1956469669.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1956469669.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 T0318 can't currently be optimized by undertaker # naming current conformation FORTE1_AL4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1354745602.pdb -s /var/tmp/to_scwrl_1354745602.seq -o /var/tmp/from_scwrl_1354745602.pdb > /var/tmp/scwrl_1354745602.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1354745602.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 T0318 can't currently be optimized by undertaker # naming current conformation FORTE1_AL5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1506614672.pdb -s /var/tmp/to_scwrl_1506614672.seq -o /var/tmp/from_scwrl_1506614672.pdb > /var/tmp/scwrl_1506614672.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1506614672.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 T0318 can't currently be optimized by undertaker # naming current conformation FORTE2_AL1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1078477076.pdb -s /var/tmp/to_scwrl_1078477076.seq -o /var/tmp/from_scwrl_1078477076.pdb > /var/tmp/scwrl_1078477076.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1078477076.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 T0318 can't currently be optimized by undertaker # naming current conformation FORTE2_AL2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_623809949.pdb -s /var/tmp/to_scwrl_623809949.seq -o /var/tmp/from_scwrl_623809949.pdb > /var/tmp/scwrl_623809949.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_623809949.pdb # conformation set from SCWRL output # naming current conformation FORTE2_AL2-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation FORTE2_AL3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_913270064.pdb -s /var/tmp/to_scwrl_913270064.seq -o /var/tmp/from_scwrl_913270064.pdb > /var/tmp/scwrl_913270064.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_913270064.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 T0318 can't currently be optimized by undertaker # naming current conformation FORTE2_AL4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1078512977.pdb -s /var/tmp/to_scwrl_1078512977.seq -o /var/tmp/from_scwrl_1078512977.pdb > /var/tmp/scwrl_1078512977.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1078512977.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 T0318 can't currently be optimized by undertaker # naming current conformation FORTE2_AL5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_41847901.pdb -s /var/tmp/to_scwrl_41847901.seq -o /var/tmp/from_scwrl_41847901.pdb > /var/tmp/scwrl_41847901.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_41847901.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 487 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1486735928.pdb -s /var/tmp/to_scwrl_1486735928.seq -o /var/tmp/from_scwrl_1486735928.pdb > /var/tmp/scwrl_1486735928.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1486735928.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 484 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_258695827.pdb -s /var/tmp/to_scwrl_258695827.seq -o /var/tmp/from_scwrl_258695827.pdb > /var/tmp/scwrl_258695827.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_258695827.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 490 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_838579563.pdb -s /var/tmp/to_scwrl_838579563.seq -o /var/tmp/from_scwrl_838579563.pdb > /var/tmp/scwrl_838579563.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_838579563.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 490 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_520345093.pdb -s /var/tmp/to_scwrl_520345093.seq -o /var/tmp/from_scwrl_520345093.pdb > /var/tmp/scwrl_520345093.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_520345093.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 490 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_943154452.pdb -s /var/tmp/to_scwrl_943154452.seq -o /var/tmp/from_scwrl_943154452.pdb > /var/tmp/scwrl_943154452.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_943154452.pdb # conformation set from SCWRL output # naming current conformation FPSOLVER-SERVER_TS5-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_192935670.pdb -s /var/tmp/to_scwrl_192935670.seq -o /var/tmp/from_scwrl_192935670.pdb > /var/tmp/scwrl_192935670.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_192935670.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS1-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1749597060.pdb -s /var/tmp/to_scwrl_1749597060.seq -o /var/tmp/from_scwrl_1749597060.pdb > /var/tmp/scwrl_1749597060.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1749597060.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS2-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_151369749.pdb -s /var/tmp/to_scwrl_151369749.seq -o /var/tmp/from_scwrl_151369749.pdb > /var/tmp/scwrl_151369749.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_151369749.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS3-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1153825399.pdb -s /var/tmp/to_scwrl_1153825399.seq -o /var/tmp/from_scwrl_1153825399.pdb > /var/tmp/scwrl_1153825399.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1153825399.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS4-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1963478281.pdb -s /var/tmp/to_scwrl_1963478281.seq -o /var/tmp/from_scwrl_1963478281.pdb > /var/tmp/scwrl_1963478281.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1963478281.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 T0318 can't currently be optimized by undertaker # naming current conformation FUGUE_AL1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1473684915.pdb -s /var/tmp/to_scwrl_1473684915.seq -o /var/tmp/from_scwrl_1473684915.pdb > /var/tmp/scwrl_1473684915.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1473684915.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 T0318 can't currently be optimized by undertaker # naming current conformation FUGUE_AL2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_727072750.pdb -s /var/tmp/to_scwrl_727072750.seq -o /var/tmp/from_scwrl_727072750.pdb > /var/tmp/scwrl_727072750.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_727072750.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 T0318 can't currently be optimized by undertaker # naming current conformation FUGUE_AL3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1936729985.pdb -s /var/tmp/to_scwrl_1936729985.seq -o /var/tmp/from_scwrl_1936729985.pdb > /var/tmp/scwrl_1936729985.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1936729985.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 T0318 can't currently be optimized by undertaker # naming current conformation FUGUE_AL4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1312081956.pdb -s /var/tmp/to_scwrl_1312081956.seq -o /var/tmp/from_scwrl_1312081956.pdb > /var/tmp/scwrl_1312081956.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1312081956.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 T0318 can't currently be optimized by undertaker # naming current conformation FUGUE_AL5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_413186019.pdb -s /var/tmp/to_scwrl_413186019.seq -o /var/tmp/from_scwrl_413186019.pdb > /var/tmp/scwrl_413186019.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_413186019.pdb # conformation set from SCWRL output # naming current conformation FUGUE_AL5-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS1.pdb.gz looking for model 1 # Found a chain break before 487 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_515535220.pdb -s /var/tmp/to_scwrl_515535220.seq -o /var/tmp/from_scwrl_515535220.pdb > /var/tmp/scwrl_515535220.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_515535220.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 490 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_775046742.pdb -s /var/tmp/to_scwrl_775046742.seq -o /var/tmp/from_scwrl_775046742.pdb > /var/tmp/scwrl_775046742.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_775046742.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 487 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1423202553.pdb -s /var/tmp/to_scwrl_1423202553.seq -o /var/tmp/from_scwrl_1423202553.pdb > /var/tmp/scwrl_1423202553.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1423202553.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 486 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_684545214.pdb -s /var/tmp/to_scwrl_684545214.seq -o /var/tmp/from_scwrl_684545214.pdb > /var/tmp/scwrl_684545214.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_684545214.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 487 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_746008414.pdb -s /var/tmp/to_scwrl_746008414.seq -o /var/tmp/from_scwrl_746008414.pdb > /var/tmp/scwrl_746008414.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_746008414.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS5-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_308263411.pdb -s /var/tmp/to_scwrl_308263411.seq -o /var/tmp/from_scwrl_308263411.pdb > /var/tmp/scwrl_308263411.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_308263411.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS1-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1323675381.pdb -s /var/tmp/to_scwrl_1323675381.seq -o /var/tmp/from_scwrl_1323675381.pdb > /var/tmp/scwrl_1323675381.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1323675381.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS2-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS3.pdb.gz looking for model 1 # Found a chain break before 471 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_241815636.pdb -s /var/tmp/to_scwrl_241815636.seq -o /var/tmp/from_scwrl_241815636.pdb > /var/tmp/scwrl_241815636.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_241815636.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 T0318 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_117249434.pdb -s /var/tmp/to_scwrl_117249434.seq -o /var/tmp/from_scwrl_117249434.pdb > /var/tmp/scwrl_117249434.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_117249434.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS4-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS5.pdb.gz looking for model 1 # Found a chain break before 485 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_530937337.pdb -s /var/tmp/to_scwrl_530937337.seq -o /var/tmp/from_scwrl_530937337.pdb > /var/tmp/scwrl_530937337.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_530937337.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 480 # copying to AlignedFragments data structure # naming current conformation HHpred1_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1748430309.pdb -s /var/tmp/to_scwrl_1748430309.seq -o /var/tmp/from_scwrl_1748430309.pdb > /var/tmp/scwrl_1748430309.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1748430309.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 471 # copying to AlignedFragments data structure # naming current conformation HHpred2_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1195726510.pdb -s /var/tmp/to_scwrl_1195726510.seq -o /var/tmp/from_scwrl_1195726510.pdb > /var/tmp/scwrl_1195726510.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1195726510.pdb # conformation set from SCWRL output # naming current conformation HHpred2_TS1-scwrl # ReadConformPDB reading from PDB file servers/HHpred3_TS1.pdb.gz looking for model 1 # Found a chain break before 482 # copying to AlignedFragments data structure # naming current conformation HHpred3_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1154747285.pdb -s /var/tmp/to_scwrl_1154747285.seq -o /var/tmp/from_scwrl_1154747285.pdb > /var/tmp/scwrl_1154747285.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1154747285.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 T0318 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_514216726.pdb -s /var/tmp/to_scwrl_514216726.seq -o /var/tmp/from_scwrl_514216726.pdb > /var/tmp/scwrl_514216726.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_514216726.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 T0318 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_126755842.pdb -s /var/tmp/to_scwrl_126755842.seq -o /var/tmp/from_scwrl_126755842.pdb > /var/tmp/scwrl_126755842.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_126755842.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 T0318 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1196595186.pdb -s /var/tmp/to_scwrl_1196595186.seq -o /var/tmp/from_scwrl_1196595186.pdb > /var/tmp/scwrl_1196595186.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1196595186.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 T0318 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_2000952654.pdb -s /var/tmp/to_scwrl_2000952654.seq -o /var/tmp/from_scwrl_2000952654.pdb > /var/tmp/scwrl_2000952654.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2000952654.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 T0318 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_385451669.pdb -s /var/tmp/to_scwrl_385451669.seq -o /var/tmp/from_scwrl_385451669.pdb > /var/tmp/scwrl_385451669.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_385451669.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 T0318 can't currently be optimized by undertaker # naming current conformation LOOPP_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_2035174749.pdb -s /var/tmp/to_scwrl_2035174749.seq -o /var/tmp/from_scwrl_2035174749.pdb > /var/tmp/scwrl_2035174749.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2035174749.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 T0318 can't currently be optimized by undertaker # naming current conformation LOOPP_TS2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_373814101.pdb -s /var/tmp/to_scwrl_373814101.seq -o /var/tmp/from_scwrl_373814101.pdb > /var/tmp/scwrl_373814101.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_373814101.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 T0318 can't currently be optimized by undertaker # naming current conformation LOOPP_TS3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1328606120.pdb -s /var/tmp/to_scwrl_1328606120.seq -o /var/tmp/from_scwrl_1328606120.pdb > /var/tmp/scwrl_1328606120.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1328606120.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 T0318 can't currently be optimized by undertaker # naming current conformation LOOPP_TS4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_80626772.pdb -s /var/tmp/to_scwrl_80626772.seq -o /var/tmp/from_scwrl_80626772.pdb > /var/tmp/scwrl_80626772.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_80626772.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 T0318 can't currently be optimized by undertaker # naming current conformation LOOPP_TS5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_2123411161.pdb -s /var/tmp/to_scwrl_2123411161.seq -o /var/tmp/from_scwrl_2123411161.pdb > /var/tmp/scwrl_2123411161.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2123411161.pdb # conformation set from SCWRL output # naming current conformation LOOPP_TS5-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS1.pdb.gz looking for model 1 # Found a chain break before 489 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1479975870.pdb -s /var/tmp/to_scwrl_1479975870.seq -o /var/tmp/from_scwrl_1479975870.pdb > /var/tmp/scwrl_1479975870.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1479975870.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 471 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1234452172.pdb -s /var/tmp/to_scwrl_1234452172.seq -o /var/tmp/from_scwrl_1234452172.pdb > /var/tmp/scwrl_1234452172.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1234452172.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 482 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1939405795.pdb -s /var/tmp/to_scwrl_1939405795.seq -o /var/tmp/from_scwrl_1939405795.pdb > /var/tmp/scwrl_1939405795.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1939405795.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 488 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_806177139.pdb -s /var/tmp/to_scwrl_806177139.seq -o /var/tmp/from_scwrl_806177139.pdb > /var/tmp/scwrl_806177139.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_806177139.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server_TS4-scwrl # ReadConformPDB reading from PDB file servers/MetaTasser_TS1.pdb.gz looking for model 1 # Found a chain break before 490 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1961524922.pdb -s /var/tmp/to_scwrl_1961524922.seq -o /var/tmp/from_scwrl_1961524922.pdb > /var/tmp/scwrl_1961524922.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1961524922.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 490 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1728652134.pdb -s /var/tmp/to_scwrl_1728652134.seq -o /var/tmp/from_scwrl_1728652134.pdb > /var/tmp/scwrl_1728652134.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1728652134.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 490 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_2118259095.pdb -s /var/tmp/to_scwrl_2118259095.seq -o /var/tmp/from_scwrl_2118259095.pdb > /var/tmp/scwrl_2118259095.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2118259095.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 490 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_227227294.pdb -s /var/tmp/to_scwrl_227227294.seq -o /var/tmp/from_scwrl_227227294.pdb > /var/tmp/scwrl_227227294.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_227227294.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 490 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_96703707.pdb -s /var/tmp/to_scwrl_96703707.seq -o /var/tmp/from_scwrl_96703707.pdb > /var/tmp/scwrl_96703707.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_96703707.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 T0318 can't currently be optimized by undertaker # naming current conformation NN_PUT_lab_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_745822190.pdb -s /var/tmp/to_scwrl_745822190.seq -o /var/tmp/from_scwrl_745822190.pdb > /var/tmp/scwrl_745822190.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_745822190.pdb # conformation set from SCWRL output # naming current conformation NN_PUT_lab_TS1-scwrl # ReadConformPDB reading from PDB file servers/POMYSL_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation POMYSL_TS2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1650429847.pdb -s /var/tmp/to_scwrl_1650429847.seq -o /var/tmp/from_scwrl_1650429847.pdb > /var/tmp/scwrl_1650429847.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1650429847.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 WARNING: atom 1 has residue number 77 < previous residue 491 in servers/POMYSL_TS3.pdb.gz # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation POMYSL_TS3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_781248921.pdb -s /var/tmp/to_scwrl_781248921.seq -o /var/tmp/from_scwrl_781248921.pdb > /var/tmp/scwrl_781248921.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_781248921.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 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation POMYSL_TS4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1491830603.pdb -s /var/tmp/to_scwrl_1491830603.seq -o /var/tmp/from_scwrl_1491830603.pdb > /var/tmp/scwrl_1491830603.log Error: Couldn't open file /var/tmp/from_scwrl_1491830603.pdb or /var/tmp/from_scwrl_1491830603.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1491830603_b.pdb or decoys//var/tmp/from_scwrl_1491830603_b.pdb.gz for input Trying /var/tmp/from_scwrl_1491830603_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1491830603_b.pdb or /var/tmp/from_scwrl_1491830603_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1491830603_a.pdb or decoys//var/tmp/from_scwrl_1491830603_a.pdb.gz for input Trying /var/tmp/from_scwrl_1491830603_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1491830603_a.pdb or /var/tmp/from_scwrl_1491830603_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1491830603.pdb or /var/tmp/from_scwrl_1491830603_b.pdb or /var/tmp/from_scwrl_1491830603_a.pdb Error: no new SCWRL conformation added # naming current conformation POMYSL_TS4-scwrl # ReadConformPDB reading from PDB file servers/POMYSL_TS5.pdb.gz looking for model 1 WARNING: atom 1 has residue number 77 < previous residue 491 in servers/POMYSL_TS5.pdb.gz # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation POMYSL_TS5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1958693259.pdb -s /var/tmp/to_scwrl_1958693259.seq -o /var/tmp/from_scwrl_1958693259.pdb > /var/tmp/scwrl_1958693259.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1958693259.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 442 ; scwrl3 -i /var/tmp/to_scwrl_2104924302.pdb -s /var/tmp/to_scwrl_2104924302.seq -o /var/tmp/from_scwrl_2104924302.pdb > /var/tmp/scwrl_2104924302.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2104924302.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 442 ; scwrl3 -i /var/tmp/to_scwrl_1733646240.pdb -s /var/tmp/to_scwrl_1733646240.seq -o /var/tmp/from_scwrl_1733646240.pdb > /var/tmp/scwrl_1733646240.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1733646240.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 442 ; scwrl3 -i /var/tmp/to_scwrl_2075942693.pdb -s /var/tmp/to_scwrl_2075942693.seq -o /var/tmp/from_scwrl_2075942693.pdb > /var/tmp/scwrl_2075942693.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2075942693.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 442 ; scwrl3 -i /var/tmp/to_scwrl_488377993.pdb -s /var/tmp/to_scwrl_488377993.seq -o /var/tmp/from_scwrl_488377993.pdb > /var/tmp/scwrl_488377993.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_488377993.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 442 ; scwrl3 -i /var/tmp/to_scwrl_1334592902.pdb -s /var/tmp/to_scwrl_1334592902.seq -o /var/tmp/from_scwrl_1334592902.pdb > /var/tmp/scwrl_1334592902.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1334592902.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 472 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1124185556.pdb -s /var/tmp/to_scwrl_1124185556.seq -o /var/tmp/from_scwrl_1124185556.pdb > /var/tmp/scwrl_1124185556.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1124185556.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS1-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS2.pdb.gz looking for model 1 # Found a chain break before 488 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1643125278.pdb -s /var/tmp/to_scwrl_1643125278.seq -o /var/tmp/from_scwrl_1643125278.pdb > /var/tmp/scwrl_1643125278.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1643125278.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 484 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1848809628.pdb -s /var/tmp/to_scwrl_1848809628.seq -o /var/tmp/from_scwrl_1848809628.pdb > /var/tmp/scwrl_1848809628.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1848809628.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 472 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1250941398.pdb -s /var/tmp/to_scwrl_1250941398.seq -o /var/tmp/from_scwrl_1250941398.pdb > /var/tmp/scwrl_1250941398.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1250941398.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 # Found a chain break before 486 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_692236819.pdb -s /var/tmp/to_scwrl_692236819.seq -o /var/tmp/from_scwrl_692236819.pdb > /var/tmp/scwrl_692236819.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_692236819.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 T0318 can't currently be optimized by undertaker # naming current conformation Pcons6_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1702278636.pdb -s /var/tmp/to_scwrl_1702278636.seq -o /var/tmp/from_scwrl_1702278636.pdb > /var/tmp/scwrl_1702278636.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1702278636.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 T0318 can't currently be optimized by undertaker # naming current conformation Pcons6_TS2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1636393068.pdb -s /var/tmp/to_scwrl_1636393068.seq -o /var/tmp/from_scwrl_1636393068.pdb > /var/tmp/scwrl_1636393068.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1636393068.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 T0318 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Pcons6_TS3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_579927921.pdb -s /var/tmp/to_scwrl_579927921.seq -o /var/tmp/from_scwrl_579927921.pdb > /var/tmp/scwrl_579927921.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_579927921.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 T0318 can't currently be optimized by undertaker # naming current conformation Pcons6_TS4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_2076092737.pdb -s /var/tmp/to_scwrl_2076092737.seq -o /var/tmp/from_scwrl_2076092737.pdb > /var/tmp/scwrl_2076092737.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2076092737.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 T0318 can't currently be optimized by undertaker # naming current conformation Pcons6_TS5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_817515542.pdb -s /var/tmp/to_scwrl_817515542.seq -o /var/tmp/from_scwrl_817515542.pdb > /var/tmp/scwrl_817515542.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_817515542.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 T0318 can't currently be optimized by undertaker # naming current conformation Phyre-1_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_660554694.pdb -s /var/tmp/to_scwrl_660554694.seq -o /var/tmp/from_scwrl_660554694.pdb > /var/tmp/scwrl_660554694.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_660554694.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 486 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_2052020251.pdb -s /var/tmp/to_scwrl_2052020251.seq -o /var/tmp/from_scwrl_2052020251.pdb > /var/tmp/scwrl_2052020251.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2052020251.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 489 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_150007765.pdb -s /var/tmp/to_scwrl_150007765.seq -o /var/tmp/from_scwrl_150007765.pdb > /var/tmp/scwrl_150007765.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_150007765.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS2-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation Phyre-2_TS3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1895006866.pdb -s /var/tmp/to_scwrl_1895006866.seq -o /var/tmp/from_scwrl_1895006866.pdb > /var/tmp/scwrl_1895006866.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1895006866.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS3-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation Phyre-2_TS4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1843942400.pdb -s /var/tmp/to_scwrl_1843942400.seq -o /var/tmp/from_scwrl_1843942400.pdb > /var/tmp/scwrl_1843942400.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1843942400.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 485 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_956184905.pdb -s /var/tmp/to_scwrl_956184905.seq -o /var/tmp/from_scwrl_956184905.pdb > /var/tmp/scwrl_956184905.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_956184905.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 T0318 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1709048141.pdb -s /var/tmp/to_scwrl_1709048141.seq -o /var/tmp/from_scwrl_1709048141.pdb > /var/tmp/scwrl_1709048141.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1709048141.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS1-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS2.pdb.gz looking for model 1 # Found a chain break before 471 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1425110887.pdb -s /var/tmp/to_scwrl_1425110887.seq -o /var/tmp/from_scwrl_1425110887.pdb > /var/tmp/scwrl_1425110887.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1425110887.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 T0318 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_926960353.pdb -s /var/tmp/to_scwrl_926960353.seq -o /var/tmp/from_scwrl_926960353.pdb > /var/tmp/scwrl_926960353.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_926960353.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS3-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS4.pdb.gz looking for model 1 # Found a chain break before 471 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1936275436.pdb -s /var/tmp/to_scwrl_1936275436.seq -o /var/tmp/from_scwrl_1936275436.pdb > /var/tmp/scwrl_1936275436.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1936275436.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS4-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1521814594.pdb -s /var/tmp/to_scwrl_1521814594.seq -o /var/tmp/from_scwrl_1521814594.pdb > /var/tmp/scwrl_1521814594.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1521814594.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 471 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1672782543.pdb -s /var/tmp/to_scwrl_1672782543.seq -o /var/tmp/from_scwrl_1672782543.pdb > /var/tmp/scwrl_1672782543.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1672782543.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 471 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1439221636.pdb -s /var/tmp/to_scwrl_1439221636.seq -o /var/tmp/from_scwrl_1439221636.pdb > /var/tmp/scwrl_1439221636.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1439221636.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 490 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_155579869.pdb -s /var/tmp/to_scwrl_155579869.seq -o /var/tmp/from_scwrl_155579869.pdb > /var/tmp/scwrl_155579869.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_155579869.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 487 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1017129500.pdb -s /var/tmp/to_scwrl_1017129500.seq -o /var/tmp/from_scwrl_1017129500.pdb > /var/tmp/scwrl_1017129500.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1017129500.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 471 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1250431248.pdb -s /var/tmp/to_scwrl_1250431248.seq -o /var/tmp/from_scwrl_1250431248.pdb > /var/tmp/scwrl_1250431248.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1250431248.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 489 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_113020524.pdb -s /var/tmp/to_scwrl_113020524.seq -o /var/tmp/from_scwrl_113020524.pdb > /var/tmp/scwrl_113020524.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_113020524.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 486 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_603292093.pdb -s /var/tmp/to_scwrl_603292093.seq -o /var/tmp/from_scwrl_603292093.pdb > /var/tmp/scwrl_603292093.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_603292093.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 486 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1178890294.pdb -s /var/tmp/to_scwrl_1178890294.seq -o /var/tmp/from_scwrl_1178890294.pdb > /var/tmp/scwrl_1178890294.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1178890294.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 488 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_601398517.pdb -s /var/tmp/to_scwrl_601398517.seq -o /var/tmp/from_scwrl_601398517.pdb > /var/tmp/scwrl_601398517.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_601398517.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 486 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1937884995.pdb -s /var/tmp/to_scwrl_1937884995.seq -o /var/tmp/from_scwrl_1937884995.pdb > /var/tmp/scwrl_1937884995.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1937884995.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 471 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_155592205.pdb -s /var/tmp/to_scwrl_155592205.seq -o /var/tmp/from_scwrl_155592205.pdb > /var/tmp/scwrl_155592205.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_155592205.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 485 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_97040149.pdb -s /var/tmp/to_scwrl_97040149.seq -o /var/tmp/from_scwrl_97040149.pdb > /var/tmp/scwrl_97040149.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_97040149.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 471 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1639210977.pdb -s /var/tmp/to_scwrl_1639210977.seq -o /var/tmp/from_scwrl_1639210977.pdb > /var/tmp/scwrl_1639210977.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1639210977.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 471 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1406533603.pdb -s /var/tmp/to_scwrl_1406533603.seq -o /var/tmp/from_scwrl_1406533603.pdb > /var/tmp/scwrl_1406533603.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1406533603.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 483 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_789276968.pdb -s /var/tmp/to_scwrl_789276968.seq -o /var/tmp/from_scwrl_789276968.pdb > /var/tmp/scwrl_789276968.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_789276968.pdb # conformation set from SCWRL output # naming current conformation RAPTOR_TS5-scwrl # ReadConformPDB reading from PDB file servers/ROBETTA_TS1.pdb.gz looking for model 1 # Found a chain break before 469 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1194005966.pdb -s /var/tmp/to_scwrl_1194005966.seq -o /var/tmp/from_scwrl_1194005966.pdb > /var/tmp/scwrl_1194005966.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1194005966.pdb # conformation set from SCWRL output # naming current conformation ROBETTA_TS1-scwrl # ReadConformPDB reading from PDB file servers/ROBETTA_TS2.pdb.gz looking for model 1 # Found a chain break before 465 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_895443025.pdb -s /var/tmp/to_scwrl_895443025.seq -o /var/tmp/from_scwrl_895443025.pdb > /var/tmp/scwrl_895443025.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_895443025.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 471 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1369204888.pdb -s /var/tmp/to_scwrl_1369204888.seq -o /var/tmp/from_scwrl_1369204888.pdb > /var/tmp/scwrl_1369204888.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1369204888.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 471 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1122615056.pdb -s /var/tmp/to_scwrl_1122615056.seq -o /var/tmp/from_scwrl_1122615056.pdb > /var/tmp/scwrl_1122615056.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1122615056.pdb # conformation set from SCWRL output # naming current conformation ROBETTA_TS4-scwrl # ReadConformPDB reading from PDB file servers/ROBETTA_TS5.pdb.gz looking for model 1 # Found a chain break before 471 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1712958567.pdb -s /var/tmp/to_scwrl_1712958567.seq -o /var/tmp/from_scwrl_1712958567.pdb > /var/tmp/scwrl_1712958567.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1712958567.pdb # conformation set from SCWRL output # naming current conformation ROBETTA_TS5-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS1.pdb.gz looking for model 1 # Found a chain break before 471 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_2029759582.pdb -s /var/tmp/to_scwrl_2029759582.seq -o /var/tmp/from_scwrl_2029759582.pdb > /var/tmp/scwrl_2029759582.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2029759582.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS1-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS2.pdb.gz looking for model 1 # Found a chain break before 486 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1027151661.pdb -s /var/tmp/to_scwrl_1027151661.seq -o /var/tmp/from_scwrl_1027151661.pdb > /var/tmp/scwrl_1027151661.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1027151661.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS2-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS3.pdb.gz looking for model 1 # Found a chain break before 471 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1862966332.pdb -s /var/tmp/to_scwrl_1862966332.seq -o /var/tmp/from_scwrl_1862966332.pdb > /var/tmp/scwrl_1862966332.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1862966332.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS3-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS4.pdb.gz looking for model 1 # Found a chain break before 471 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1777282801.pdb -s /var/tmp/to_scwrl_1777282801.seq -o /var/tmp/from_scwrl_1777282801.pdb > /var/tmp/scwrl_1777282801.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1777282801.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS4-scwrl # ReadConformPDB reading from PDB file servers/SAM-T02_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_723610414.pdb -s /var/tmp/to_scwrl_723610414.seq -o /var/tmp/from_scwrl_723610414.pdb > /var/tmp/scwrl_723610414.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_723610414.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 T0318 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_671667590.pdb -s /var/tmp/to_scwrl_671667590.seq -o /var/tmp/from_scwrl_671667590.pdb > /var/tmp/scwrl_671667590.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_671667590.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 T0318 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1338847296.pdb -s /var/tmp/to_scwrl_1338847296.seq -o /var/tmp/from_scwrl_1338847296.pdb > /var/tmp/scwrl_1338847296.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1338847296.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 Skipped atom 38, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 40, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 42, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 44, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 90, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 92, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 94, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 96, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 778, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 780, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 782, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 784, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 1158, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 1160, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 1162, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 1164, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 1462, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 1464, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 1466, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 1468, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 1538, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 1540, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 1542, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 1544, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1237654.pdb -s /var/tmp/to_scwrl_1237654.seq -o /var/tmp/from_scwrl_1237654.pdb > /var/tmp/scwrl_1237654.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1237654.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 T0318 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1598627943.pdb -s /var/tmp/to_scwrl_1598627943.seq -o /var/tmp/from_scwrl_1598627943.pdb > /var/tmp/scwrl_1598627943.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1598627943.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 T0318 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1127639085.pdb -s /var/tmp/to_scwrl_1127639085.seq -o /var/tmp/from_scwrl_1127639085.pdb > /var/tmp/scwrl_1127639085.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1127639085.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL1-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1523052249.pdb -s /var/tmp/to_scwrl_1523052249.seq -o /var/tmp/from_scwrl_1523052249.pdb > /var/tmp/scwrl_1523052249.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1523052249.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL2-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1123926839.pdb -s /var/tmp/to_scwrl_1123926839.seq -o /var/tmp/from_scwrl_1123926839.pdb > /var/tmp/scwrl_1123926839.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1123926839.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL3-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_419377075.pdb -s /var/tmp/to_scwrl_419377075.seq -o /var/tmp/from_scwrl_419377075.pdb > /var/tmp/scwrl_419377075.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_419377075.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL4-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1678632118.pdb -s /var/tmp/to_scwrl_1678632118.seq -o /var/tmp/from_scwrl_1678632118.pdb > /var/tmp/scwrl_1678632118.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1678632118.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL5-scwrl # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS1.pdb.gz looking for model 1 # Found a chain break before 478 # copying to AlignedFragments data structure # naming current conformation SAM_T06_server_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_2141056339.pdb -s /var/tmp/to_scwrl_2141056339.seq -o /var/tmp/from_scwrl_2141056339.pdb > /var/tmp/scwrl_2141056339.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2141056339.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 T0318 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1669808324.pdb -s /var/tmp/to_scwrl_1669808324.seq -o /var/tmp/from_scwrl_1669808324.pdb > /var/tmp/scwrl_1669808324.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1669808324.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 T0318 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1791652642.pdb -s /var/tmp/to_scwrl_1791652642.seq -o /var/tmp/from_scwrl_1791652642.pdb > /var/tmp/scwrl_1791652642.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1791652642.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 T0318 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_596864786.pdb -s /var/tmp/to_scwrl_596864786.seq -o /var/tmp/from_scwrl_596864786.pdb > /var/tmp/scwrl_596864786.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_596864786.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 T0318 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_701214972.pdb -s /var/tmp/to_scwrl_701214972.seq -o /var/tmp/from_scwrl_701214972.pdb > /var/tmp/scwrl_701214972.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_701214972.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 487 # copying to AlignedFragments data structure # naming current conformation SP3_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_245567513.pdb -s /var/tmp/to_scwrl_245567513.seq -o /var/tmp/from_scwrl_245567513.pdb > /var/tmp/scwrl_245567513.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_245567513.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 471 # copying to AlignedFragments data structure # naming current conformation SP3_TS2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_387266134.pdb -s /var/tmp/to_scwrl_387266134.seq -o /var/tmp/from_scwrl_387266134.pdb > /var/tmp/scwrl_387266134.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_387266134.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 471 # copying to AlignedFragments data structure # naming current conformation SP3_TS3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_856807177.pdb -s /var/tmp/to_scwrl_856807177.seq -o /var/tmp/from_scwrl_856807177.pdb > /var/tmp/scwrl_856807177.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_856807177.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 392 # copying to AlignedFragments data structure # naming current conformation SP3_TS4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_342607662.pdb -s /var/tmp/to_scwrl_342607662.seq -o /var/tmp/from_scwrl_342607662.pdb > /var/tmp/scwrl_342607662.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_342607662.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 382 # copying to AlignedFragments data structure # naming current conformation SP3_TS5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_2026477111.pdb -s /var/tmp/to_scwrl_2026477111.seq -o /var/tmp/from_scwrl_2026477111.pdb > /var/tmp/scwrl_2026477111.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2026477111.pdb # conformation set from SCWRL output # naming current conformation SP3_TS5-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS1.pdb.gz looking for model 1 # Found a chain break before 471 # copying to AlignedFragments data structure # naming current conformation SP4_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_115857134.pdb -s /var/tmp/to_scwrl_115857134.seq -o /var/tmp/from_scwrl_115857134.pdb > /var/tmp/scwrl_115857134.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_115857134.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 471 # copying to AlignedFragments data structure # naming current conformation SP4_TS2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1131884629.pdb -s /var/tmp/to_scwrl_1131884629.seq -o /var/tmp/from_scwrl_1131884629.pdb > /var/tmp/scwrl_1131884629.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1131884629.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 471 # copying to AlignedFragments data structure # naming current conformation SP4_TS3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1072999431.pdb -s /var/tmp/to_scwrl_1072999431.seq -o /var/tmp/from_scwrl_1072999431.pdb > /var/tmp/scwrl_1072999431.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1072999431.pdb # conformation set from SCWRL output # naming current conformation SP4_TS3-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS4.pdb.gz looking for model 1 # Found a chain break before 424 # copying to AlignedFragments data structure # naming current conformation SP4_TS4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1011300159.pdb -s /var/tmp/to_scwrl_1011300159.seq -o /var/tmp/from_scwrl_1011300159.pdb > /var/tmp/scwrl_1011300159.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1011300159.pdb # conformation set from SCWRL output # naming current conformation SP4_TS4-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS5.pdb.gz looking for model 1 # Found a chain break before 479 # copying to AlignedFragments data structure # naming current conformation SP4_TS5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_353605871.pdb -s /var/tmp/to_scwrl_353605871.seq -o /var/tmp/from_scwrl_353605871.pdb > /var/tmp/scwrl_353605871.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_353605871.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 471 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_48130840.pdb -s /var/tmp/to_scwrl_48130840.seq -o /var/tmp/from_scwrl_48130840.pdb > /var/tmp/scwrl_48130840.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_48130840.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 472 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_576775079.pdb -s /var/tmp/to_scwrl_576775079.seq -o /var/tmp/from_scwrl_576775079.pdb > /var/tmp/scwrl_576775079.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_576775079.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 471 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_235881807.pdb -s /var/tmp/to_scwrl_235881807.seq -o /var/tmp/from_scwrl_235881807.pdb > /var/tmp/scwrl_235881807.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_235881807.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 459 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1075282501.pdb -s /var/tmp/to_scwrl_1075282501.seq -o /var/tmp/from_scwrl_1075282501.pdb > /var/tmp/scwrl_1075282501.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1075282501.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 481 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_292257765.pdb -s /var/tmp/to_scwrl_292257765.seq -o /var/tmp/from_scwrl_292257765.pdb > /var/tmp/scwrl_292257765.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_292257765.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 T0318 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_2013164608.pdb -s /var/tmp/to_scwrl_2013164608.seq -o /var/tmp/from_scwrl_2013164608.pdb > /var/tmp/scwrl_2013164608.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2013164608.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_bnmx_TS1-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_expm_TS1.pdb.gz looking for model 1 WARNING: atoms too close: (T0318)T2.CA and (T0318)S19.CA only 0.000 apart, marking (T0318)S19.CA as missing WARNING: atoms too close: (T0318)Q3.N and (T0318)L20.N only 0.000 apart, marking (T0318)L20.N as missing WARNING: atoms too close: (T0318)Q3.CA and (T0318)L20.CA only 0.000 apart, marking (T0318)L20.CA as missing WARNING: atoms too close: (T0318)Q3.CB and (T0318)L20.CB only 0.000 apart, marking (T0318)L20.CB as missing WARNING: atoms too close: (T0318)Q3.O and (T0318)L20.O only 0.000 apart, marking (T0318)L20.O as missing WARNING: atoms too close: (T0318)Q3.C and (T0318)L20.C only 0.000 apart, marking (T0318)L20.C as missing WARNING: atoms too close: (T0318)V4.N and (T0318)I21.N only 0.000 apart, marking (T0318)I21.N as missing WARNING: atoms too close: (T0318)V4.CA and (T0318)I21.CA only 0.000 apart, marking (T0318)I21.CA as missing WARNING: atoms too close: (T0318)V4.CB and (T0318)I21.CB only 0.000 apart, marking (T0318)I21.CB as missing WARNING: atoms too close: (T0318)V4.O and (T0318)I21.O only 0.000 apart, marking (T0318)I21.O as missing WARNING: atoms too close: (T0318)V4.C and (T0318)I21.C only 0.000 apart, marking (T0318)I21.C as missing WARNING: atoms too close: (T0318)L5.N and (T0318)I22.N only 0.000 apart, marking (T0318)I22.N as missing WARNING: atoms too close: (T0318)L5.CA and (T0318)I22.CA only 0.000 apart, marking (T0318)I22.CA as missing WARNING: atoms too close: (T0318)L5.CB and (T0318)I22.CB only 0.000 apart, marking (T0318)I22.CB as missing WARNING: atoms too close: (T0318)L5.O and (T0318)I22.O only 0.000 apart, marking (T0318)I22.O as missing WARNING: atoms too close: (T0318)L5.C and (T0318)I22.C only 0.000 apart, marking (T0318)I22.C as missing WARNING: atoms too close: (T0318)V6.N and (T0318)V23.N only 0.000 apart, marking (T0318)V23.N as missing WARNING: atoms too close: (T0318)V6.CA and (T0318)V23.CA only 0.000 apart, marking (T0318)V23.CA as missing WARNING: atoms too close: (T0318)V6.CB and (T0318)V23.CB only 0.000 apart, marking (T0318)V23.CB as missing WARNING: atoms too close: (T0318)V6.C and (T0318)V23.C only 0.000 apart, marking (T0318)V23.C as missing WARNING: atoms too close: (T0318)R7.CA and (T0318)G24.CA only 0.000 apart, marking (T0318)R7.CA as missing WARNING: atoms too close: (T0318)N8.CA and (T0318)K25.CA only 0.000 apart, marking (T0318)K25.CA as missing # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation UNI-EID_expm_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1798892915.pdb -s /var/tmp/to_scwrl_1798892915.seq -o /var/tmp/from_scwrl_1798892915.pdb > /var/tmp/scwrl_1798892915.log Error: Couldn't open file /var/tmp/from_scwrl_1798892915.pdb or /var/tmp/from_scwrl_1798892915.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1798892915_b.pdb or decoys//var/tmp/from_scwrl_1798892915_b.pdb.gz for input Trying /var/tmp/from_scwrl_1798892915_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1798892915_b.pdb or /var/tmp/from_scwrl_1798892915_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1798892915_a.pdb or decoys//var/tmp/from_scwrl_1798892915_a.pdb.gz for input Trying /var/tmp/from_scwrl_1798892915_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1798892915_a.pdb or /var/tmp/from_scwrl_1798892915_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1798892915.pdb or /var/tmp/from_scwrl_1798892915_b.pdb or /var/tmp/from_scwrl_1798892915_a.pdb Error: no new SCWRL conformation added # naming current conformation UNI-EID_expm_TS1-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_963925355.pdb -s /var/tmp/to_scwrl_963925355.seq -o /var/tmp/from_scwrl_963925355.pdb > /var/tmp/scwrl_963925355.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_963925355.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_sfst_AL1-scwrl # ReadConformPDB reading from PDB file servers/Zhang-Server_TS1.pdb.gz looking for model 1 # Found a chain break before 484 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1204528257.pdb -s /var/tmp/to_scwrl_1204528257.seq -o /var/tmp/from_scwrl_1204528257.pdb > /var/tmp/scwrl_1204528257.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1204528257.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 484 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1800130570.pdb -s /var/tmp/to_scwrl_1800130570.seq -o /var/tmp/from_scwrl_1800130570.pdb > /var/tmp/scwrl_1800130570.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1800130570.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 484 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_415069651.pdb -s /var/tmp/to_scwrl_415069651.seq -o /var/tmp/from_scwrl_415069651.pdb > /var/tmp/scwrl_415069651.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_415069651.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 485 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_184683696.pdb -s /var/tmp/to_scwrl_184683696.seq -o /var/tmp/from_scwrl_184683696.pdb > /var/tmp/scwrl_184683696.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_184683696.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 471 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1175699172.pdb -s /var/tmp/to_scwrl_1175699172.seq -o /var/tmp/from_scwrl_1175699172.pdb > /var/tmp/scwrl_1175699172.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1175699172.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 490 # copying to AlignedFragments data structure # naming current conformation beautshot_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1538996490.pdb -s /var/tmp/to_scwrl_1538996490.seq -o /var/tmp/from_scwrl_1538996490.pdb > /var/tmp/scwrl_1538996490.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1538996490.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 T0318 can't currently be optimized by undertaker # naming current conformation beautshotbase_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_604060772.pdb -s /var/tmp/to_scwrl_604060772.seq -o /var/tmp/from_scwrl_604060772.pdb > /var/tmp/scwrl_604060772.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_604060772.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 T0318 can't currently be optimized by undertaker # naming current conformation forecast-s_AL1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_706847644.pdb -s /var/tmp/to_scwrl_706847644.seq -o /var/tmp/from_scwrl_706847644.pdb > /var/tmp/scwrl_706847644.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_706847644.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 T0318 can't currently be optimized by undertaker # naming current conformation forecast-s_AL2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1532569183.pdb -s /var/tmp/to_scwrl_1532569183.seq -o /var/tmp/from_scwrl_1532569183.pdb > /var/tmp/scwrl_1532569183.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1532569183.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 T0318 can't currently be optimized by undertaker # naming current conformation forecast-s_AL3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_126385449.pdb -s /var/tmp/to_scwrl_126385449.seq -o /var/tmp/from_scwrl_126385449.pdb > /var/tmp/scwrl_126385449.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_126385449.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 T0318 can't currently be optimized by undertaker # naming current conformation forecast-s_AL4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_351016639.pdb -s /var/tmp/to_scwrl_351016639.seq -o /var/tmp/from_scwrl_351016639.pdb > /var/tmp/scwrl_351016639.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_351016639.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 T0318 can't currently be optimized by undertaker # naming current conformation forecast-s_AL5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_2129433969.pdb -s /var/tmp/to_scwrl_2129433969.seq -o /var/tmp/from_scwrl_2129433969.pdb > /var/tmp/scwrl_2129433969.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2129433969.pdb # conformation set from SCWRL output # naming current conformation forecast-s_AL5-scwrl # ReadConformPDB reading from PDB file servers/gtg_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation gtg_AL1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_827600421.pdb -s /var/tmp/to_scwrl_827600421.seq -o /var/tmp/from_scwrl_827600421.pdb > /var/tmp/scwrl_827600421.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_827600421.pdb # conformation set from SCWRL output # naming current conformation gtg_AL1-scwrl # ReadConformPDB reading from PDB file servers/gtg_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation gtg_AL2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_596584152.pdb -s /var/tmp/to_scwrl_596584152.seq -o /var/tmp/from_scwrl_596584152.pdb > /var/tmp/scwrl_596584152.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_596584152.pdb # conformation set from SCWRL output # naming current conformation gtg_AL2-scwrl # ReadConformPDB reading from PDB file servers/gtg_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation gtg_AL3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_369216456.pdb -s /var/tmp/to_scwrl_369216456.seq -o /var/tmp/from_scwrl_369216456.pdb > /var/tmp/scwrl_369216456.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_369216456.pdb # conformation set from SCWRL output # naming current conformation gtg_AL3-scwrl # ReadConformPDB reading from PDB file servers/gtg_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation gtg_AL4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1684407598.pdb -s /var/tmp/to_scwrl_1684407598.seq -o /var/tmp/from_scwrl_1684407598.pdb > /var/tmp/scwrl_1684407598.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1684407598.pdb # conformation set from SCWRL output # naming current conformation gtg_AL4-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation karypis.srv.2_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_939191814.pdb -s /var/tmp/to_scwrl_939191814.seq -o /var/tmp/from_scwrl_939191814.pdb > /var/tmp/scwrl_939191814.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_939191814.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 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation karypis.srv.2_TS2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_248209921.pdb -s /var/tmp/to_scwrl_248209921.seq -o /var/tmp/from_scwrl_248209921.pdb > /var/tmp/scwrl_248209921.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_248209921.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 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation karypis.srv.2_TS3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1800264732.pdb -s /var/tmp/to_scwrl_1800264732.seq -o /var/tmp/from_scwrl_1800264732.pdb > /var/tmp/scwrl_1800264732.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1800264732.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 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation karypis.srv.2_TS4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_2071076443.pdb -s /var/tmp/to_scwrl_2071076443.seq -o /var/tmp/from_scwrl_2071076443.pdb > /var/tmp/scwrl_2071076443.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2071076443.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 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation karypis.srv.2_TS5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1321209351.pdb -s /var/tmp/to_scwrl_1321209351.seq -o /var/tmp/from_scwrl_1321209351.pdb > /var/tmp/scwrl_1321209351.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1321209351.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 490 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_664081244.pdb -s /var/tmp/to_scwrl_664081244.seq -o /var/tmp/from_scwrl_664081244.pdb > /var/tmp/scwrl_664081244.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_664081244.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS1-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS2.pdb.gz looking for model 1 # Found a chain break before 489 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_277198668.pdb -s /var/tmp/to_scwrl_277198668.seq -o /var/tmp/from_scwrl_277198668.pdb > /var/tmp/scwrl_277198668.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_277198668.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS2-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS3.pdb.gz looking for model 1 WARNING: atoms too close: (T0318)A392.O and (T0318)G393.N only 0.000 apart, marking (T0318)G393.N as missing # WARNING: incomplete conformation T0318 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 442 ; scwrl3 -i /var/tmp/to_scwrl_1369340192.pdb -s /var/tmp/to_scwrl_1369340192.seq -o /var/tmp/from_scwrl_1369340192.pdb > /var/tmp/scwrl_1369340192.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1369340192.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS3-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS4.pdb.gz looking for model 1 WARNING: atoms too close: (T0318)G481.O and (T0318)K482.N only 0.000 apart, marking (T0318)K482.N as missing # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1240856323.pdb -s /var/tmp/to_scwrl_1240856323.seq -o /var/tmp/from_scwrl_1240856323.pdb > /var/tmp/scwrl_1240856323.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1240856323.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS4-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS5.pdb.gz looking for model 1 WARNING: atoms too close: (T0318)S81.O and (T0318)S82.N only 0.000 apart, marking (T0318)S82.N as missing # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_513080475.pdb -s /var/tmp/to_scwrl_513080475.seq -o /var/tmp/from_scwrl_513080475.pdb > /var/tmp/scwrl_513080475.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_513080475.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS5-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_297139047.pdb -s /var/tmp/to_scwrl_297139047.seq -o /var/tmp/from_scwrl_297139047.pdb > /var/tmp/scwrl_297139047.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_297139047.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 T0318 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1533114088.pdb -s /var/tmp/to_scwrl_1533114088.seq -o /var/tmp/from_scwrl_1533114088.pdb > /var/tmp/scwrl_1533114088.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1533114088.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 T0318 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_378761436.pdb -s /var/tmp/to_scwrl_378761436.seq -o /var/tmp/from_scwrl_378761436.pdb > /var/tmp/scwrl_378761436.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_378761436.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 T0318 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_2096031962.pdb -s /var/tmp/to_scwrl_2096031962.seq -o /var/tmp/from_scwrl_2096031962.pdb > /var/tmp/scwrl_2096031962.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2096031962.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 T0318 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_349555796.pdb -s /var/tmp/to_scwrl_349555796.seq -o /var/tmp/from_scwrl_349555796.pdb > /var/tmp/scwrl_349555796.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_349555796.pdb # conformation set from SCWRL output # naming current conformation karypis.srv_TS5-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS1.pdb.gz looking for model 1 # Found a chain break before 470 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1583289694.pdb -s /var/tmp/to_scwrl_1583289694.seq -o /var/tmp/from_scwrl_1583289694.pdb > /var/tmp/scwrl_1583289694.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1583289694.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS1-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS2.pdb.gz looking for model 1 # Found a chain break before 374 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1748678885.pdb -s /var/tmp/to_scwrl_1748678885.seq -o /var/tmp/from_scwrl_1748678885.pdb > /var/tmp/scwrl_1748678885.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1748678885.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS2-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS3.pdb.gz looking for model 1 # Found a chain break before 379 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_764625448.pdb -s /var/tmp/to_scwrl_764625448.seq -o /var/tmp/from_scwrl_764625448.pdb > /var/tmp/scwrl_764625448.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_764625448.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS3-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS4.pdb.gz looking for model 1 # Found a chain break before 432 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1767973390.pdb -s /var/tmp/to_scwrl_1767973390.seq -o /var/tmp/from_scwrl_1767973390.pdb > /var/tmp/scwrl_1767973390.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1767973390.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS4-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS5.pdb.gz looking for model 1 # Found a chain break before 458 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_776894411.pdb -s /var/tmp/to_scwrl_776894411.seq -o /var/tmp/from_scwrl_776894411.pdb > /var/tmp/scwrl_776894411.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_776894411.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 T0318 can't currently be optimized by undertaker # naming current conformation mGen-3D_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_156138291.pdb -s /var/tmp/to_scwrl_156138291.seq -o /var/tmp/from_scwrl_156138291.pdb > /var/tmp/scwrl_156138291.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_156138291.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 T0318 can't currently be optimized by undertaker # naming current conformation nFOLD_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_224550515.pdb -s /var/tmp/to_scwrl_224550515.seq -o /var/tmp/from_scwrl_224550515.pdb > /var/tmp/scwrl_224550515.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_224550515.pdb # conformation set from SCWRL output # naming current conformation nFOLD_TS1-scwrl # ReadConformPDB reading from PDB file servers/nFOLD_TS2.pdb.gz looking for model 1 WARNING: atom 1 has residue number 152 < previous residue 485 in servers/nFOLD_TS2.pdb.gz # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation nFOLD_TS2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1483742054.pdb -s /var/tmp/to_scwrl_1483742054.seq -o /var/tmp/from_scwrl_1483742054.pdb > /var/tmp/scwrl_1483742054.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1483742054.pdb # conformation set from SCWRL output # naming current conformation nFOLD_TS2-scwrl # ReadConformPDB reading from PDB file servers/nFOLD_TS3.pdb.gz looking for model 1 WARNING: atom 1 has residue number 164 < previous residue 485 in servers/nFOLD_TS3.pdb.gz # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation nFOLD_TS3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1688707474.pdb -s /var/tmp/to_scwrl_1688707474.seq -o /var/tmp/from_scwrl_1688707474.pdb > /var/tmp/scwrl_1688707474.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1688707474.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 T0318 can't currently be optimized by undertaker # naming current conformation nFOLD_TS4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_350935964.pdb -s /var/tmp/to_scwrl_350935964.seq -o /var/tmp/from_scwrl_350935964.pdb > /var/tmp/scwrl_350935964.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_350935964.pdb # conformation set from SCWRL output # naming current conformation nFOLD_TS4-scwrl # ReadConformPDB reading from PDB file servers/nFOLD_TS5.pdb.gz looking for model 1 WARNING: atom 1 has residue number 1 < previous residue 424 in servers/nFOLD_TS5.pdb.gz # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation nFOLD_TS5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1834758694.pdb -s /var/tmp/to_scwrl_1834758694.seq -o /var/tmp/from_scwrl_1834758694.pdb > /var/tmp/scwrl_1834758694.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1834758694.pdb # conformation set from SCWRL output # naming current conformation nFOLD_TS5-scwrl # ReadConformPDB reading from PDB file servers/panther2_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation panther2_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1670657796.pdb -s /var/tmp/to_scwrl_1670657796.seq -o /var/tmp/from_scwrl_1670657796.pdb > /var/tmp/scwrl_1670657796.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1670657796.pdb # conformation set from SCWRL output # naming current conformation panther2_TS1-scwrl # ReadConformPDB reading from PDB file servers/shub_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation shub_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1178536385.pdb -s /var/tmp/to_scwrl_1178536385.seq -o /var/tmp/from_scwrl_1178536385.pdb > /var/tmp/scwrl_1178536385.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1178536385.pdb # conformation set from SCWRL output # naming current conformation shub_TS1-scwrl # command:CPU_time= 113.13 sec, elapsed time= 1089.61 sec) # command:# Prefix for output files set to decoys/ # command:# Will now start reporting costs to decoys/evaluate_1.rdb # command:# CostConform Warning: Couldn't open file decoys//projects/compbio/experiments/undertaker/spots/near-backbone-center.spot or decoys//projects/compbio/experiments/undertaker/spots/near-backbone-center.spot.gz for input Trying /projects/compbio/experiments/undertaker/spots/near-backbone-center.spot # Reading spots from /projects/compbio/experiments/undertaker/spots/near-backbone-center.spot shub_TS1-scwrl costs 0 real_cost = 289.428 shub_TS1 costs 0 real_cost = 282.296 panther2_TS1-scwrl costs 0 real_cost = 406.489 panther2_TS1 costs 0 real_cost = 401.258 nFOLD_TS5-scwrl costs 0 real_cost = 1024.87 nFOLD_TS5 costs 0 real_cost = 1142.27 nFOLD_TS4-scwrl costs 0 real_cost = 375.334 nFOLD_TS4 costs 0 real_cost = 586.262 nFOLD_TS3-scwrl costs 0 real_cost = 604.263 nFOLD_TS3 costs 0 real_cost = 738.462 nFOLD_TS2-scwrl costs 0 real_cost = 500.82 nFOLD_TS2 costs 0 real_cost = 675.314 nFOLD_TS1-scwrl costs 0 real_cost = 357.459 nFOLD_TS1 costs 0 real_cost = 571.262 mGen-3D_TS1-scwrl costs 0 real_cost = 357.048 mGen-3D_TS1 costs 0 real_cost = 566.764 keasar-server_TS5-scwrl costs 0 real_cost = 324.542 keasar-server_TS5 costs 0 real_cost = 324.116 keasar-server_TS4-scwrl costs 0 real_cost = 330.769 keasar-server_TS4 costs 0 real_cost = 335.707 keasar-server_TS3-scwrl costs 0 real_cost = 308.475 keasar-server_TS3 costs 0 real_cost = 309.842 keasar-server_TS2-scwrl costs 0 real_cost = 288.23 keasar-server_TS2 costs 0 real_cost = 291.937 keasar-server_TS1-scwrl costs 0 real_cost = 323.484 keasar-server_TS1 costs 0 real_cost = 325.943 karypis.srv_TS5-scwrl costs 0 real_cost = 271.858 karypis.srv_TS5 costs 0 real_cost = 265.369 karypis.srv_TS4-scwrl costs 0 real_cost = 353.547 karypis.srv_TS4 costs 0 real_cost = 348.03 karypis.srv_TS3-scwrl costs 0 real_cost = 285.196 karypis.srv_TS3 costs 0 real_cost = 282.99 karypis.srv_TS2-scwrl costs 0 real_cost = 299.384 karypis.srv_TS2 costs 0 real_cost = 296.383 karypis.srv_TS1-scwrl costs 0 real_cost = 208.451 karypis.srv_TS1 costs 0 real_cost = 207.573 karypis.srv.4_TS5-scwrl costs 0 real_cost = 351.858 karypis.srv.4_TS5 costs 0 real_cost = 351.733 karypis.srv.4_TS4-scwrl costs 0 real_cost = 337.345 karypis.srv.4_TS4 costs 0 real_cost = 337.709 karypis.srv.4_TS3-scwrl costs 0 real_cost = 362.583 karypis.srv.4_TS3 costs 0 real_cost = 362.913 karypis.srv.4_TS2-scwrl costs 0 real_cost = 311.993 karypis.srv.4_TS2 costs 0 real_cost = 312.561 karypis.srv.4_TS1-scwrl costs 0 real_cost = 347.877 karypis.srv.4_TS1 costs 0 real_cost = 347.802 karypis.srv.2_TS5-scwrl costs 0 real_cost = 358.303 karypis.srv.2_TS5 costs 0 real_cost = 354.503 karypis.srv.2_TS4-scwrl costs 0 real_cost = 359.071 karypis.srv.2_TS4 costs 0 real_cost = 355.271 karypis.srv.2_TS3-scwrl costs 0 real_cost = 283.833 karypis.srv.2_TS3 costs 0 real_cost = 280.033 karypis.srv.2_TS2-scwrl costs 0 real_cost = 319.023 karypis.srv.2_TS2 costs 0 real_cost = 315.223 karypis.srv.2_TS1-scwrl costs 0 real_cost = 291.754 karypis.srv.2_TS1 costs 0 real_cost = 287.954 gtg_AL4-scwrl costs 0 real_cost = 1374.47 gtg_AL4 costs 0 real_cost = 1387.87 gtg_AL3-scwrl costs 0 real_cost = 1361.27 gtg_AL3 costs 0 real_cost = 1377.47 gtg_AL2-scwrl costs 0 real_cost = 447.476 gtg_AL2 costs 0 real_cost = 657.608 gtg_AL1-scwrl costs 0 real_cost = 448.322 gtg_AL1 costs 0 real_cost = 659.446 forecast-s_AL5-scwrl costs 0 real_cost = 679.784 forecast-s_AL5 costs 0 real_cost = 828.614 forecast-s_AL4-scwrl costs 0 real_cost = 728.385 forecast-s_AL4 costs 0 real_cost = 869.664 forecast-s_AL3-scwrl costs 0 real_cost = 813.438 forecast-s_AL3 costs 0 real_cost = 908.684 forecast-s_AL2-scwrl costs 0 real_cost = 803.025 forecast-s_AL2 costs 0 real_cost = 909.782 forecast-s_AL1-scwrl costs 0 real_cost = 966.466 forecast-s_AL1 costs 0 real_cost = 1163.87 beautshotbase_TS1-scwrl costs 0 real_cost = 958.266 beautshotbase_TS1 costs 0 real_cost = 955.466 beautshot_TS1-scwrl costs 0 real_cost = 211.147 beautshot_TS1 costs 0 real_cost = 229.472 Zhang-Server_TS5-scwrl costs 0 real_cost = 223.664 Zhang-Server_TS5 costs 0 real_cost = 223.793 Zhang-Server_TS4-scwrl costs 0 real_cost = 283.19 Zhang-Server_TS4 costs 0 real_cost = 281 Zhang-Server_TS3-scwrl costs 0 real_cost = 224.395 Zhang-Server_TS3 costs 0 real_cost = 229.405 Zhang-Server_TS2-scwrl costs 0 real_cost = 205.419 Zhang-Server_TS2 costs 0 real_cost = 204.249 Zhang-Server_TS1-scwrl costs 0 real_cost = 302.798 Zhang-Server_TS1 costs 0 real_cost = 300.488 UNI-EID_sfst_AL1-scwrl costs 0 real_cost = 293.714 UNI-EID_sfst_AL1 costs 0 real_cost = 578.209 UNI-EID_expm_TS1-scwrl costs 0 real_cost = 502.123 UNI-EID_bnmx_TS1-scwrl costs 0 real_cost = 295.418 UNI-EID_bnmx_TS1 costs 0 real_cost = 589.924 SPARKS2_TS5-scwrl costs 0 real_cost = 426.906 SPARKS2_TS5 costs 0 real_cost = 455.452 SPARKS2_TS4-scwrl costs 0 real_cost = 330.53 SPARKS2_TS4 costs 0 real_cost = 326.496 SPARKS2_TS3-scwrl costs 0 real_cost = 443.265 SPARKS2_TS3 costs 0 real_cost = 443.288 SPARKS2_TS2-scwrl costs 0 real_cost = 224.611 SPARKS2_TS2 costs 0 real_cost = 224.727 SPARKS2_TS1-scwrl costs 0 real_cost = 218.678 SPARKS2_TS1 costs 0 real_cost = 226.223 SP4_TS5-scwrl costs 0 real_cost = 437.907 SP4_TS5 costs 0 real_cost = 430.385 SP4_TS4-scwrl costs 0 real_cost = 446.437 SP4_TS4 costs 0 real_cost = 446.484 SP4_TS3-scwrl costs 0 real_cost = 440.548 SP4_TS3 costs 0 real_cost = 440.608 SP4_TS2-scwrl costs 0 real_cost = 214.095 SP4_TS2 costs 0 real_cost = 215.023 SP4_TS1-scwrl costs 0 real_cost = 223.921 SP4_TS1 costs 0 real_cost = 226.247 SP3_TS5-scwrl costs 0 real_cost = 312.255 SP3_TS5 costs 0 real_cost = 305.804 SP3_TS4-scwrl costs 0 real_cost = 325.647 SP3_TS4 costs 0 real_cost = 327.046 SP3_TS3-scwrl costs 0 real_cost = 441.937 SP3_TS3 costs 0 real_cost = 441.978 SP3_TS2-scwrl costs 0 real_cost = 198.717 SP3_TS2 costs 0 real_cost = 197.302 SP3_TS1-scwrl costs 0 real_cost = 219.032 SP3_TS1 costs 0 real_cost = 221.019 SAM_T06_server_TS5-scwrl costs 0 real_cost = 457.155 SAM_T06_server_TS5 costs 0 real_cost = 434.253 SAM_T06_server_TS4-scwrl costs 0 real_cost = 529.262 SAM_T06_server_TS4 costs 0 real_cost = 510.544 SAM_T06_server_TS3-scwrl costs 0 real_cost = 300.297 SAM_T06_server_TS3 costs 0 real_cost = 286.922 SAM_T06_server_TS2-scwrl costs 0 real_cost = 329.433 SAM_T06_server_TS2 costs 0 real_cost = 307.419 SAM_T06_server_TS1-scwrl costs 0 real_cost = 247.381 SAM_T06_server_TS1 costs 0 real_cost = 248.217 SAM-T99_AL5-scwrl costs 0 real_cost = 299.963 SAM-T99_AL5 costs 0 real_cost = 611.8 SAM-T99_AL4-scwrl costs 0 real_cost = 295.109 SAM-T99_AL4 costs 0 real_cost = 605.088 SAM-T99_AL3-scwrl costs 0 real_cost = 299.144 SAM-T99_AL3 costs 0 real_cost = 608.629 SAM-T99_AL2-scwrl costs 0 real_cost = 285.119 SAM-T99_AL2 costs 0 real_cost = 581.97 SAM-T99_AL1-scwrl costs 0 real_cost = 275.518 SAM-T99_AL1 costs 0 real_cost = 570.275 SAM-T02_AL5-scwrl costs 0 real_cost = 841.628 SAM-T02_AL5 costs 0 real_cost = 946.822 SAM-T02_AL4-scwrl costs 0 real_cost = 296.747 SAM-T02_AL4 costs 0 real_cost = 613.099 SAM-T02_AL3-scwrl costs 0 real_cost = 323.421 SAM-T02_AL3 costs 0 real_cost = 652.435 SAM-T02_AL2-scwrl costs 0 real_cost = 309.714 SAM-T02_AL2 costs 0 real_cost = 614.218 SAM-T02_AL1-scwrl costs 0 real_cost = 309.974 SAM-T02_AL1 costs 0 real_cost = 612.954 ROKKY_TS4-scwrl costs 0 real_cost = 280.918 ROKKY_TS4 costs 0 real_cost = 279.988 ROKKY_TS3-scwrl costs 0 real_cost = 276.587 ROKKY_TS3 costs 0 real_cost = 278.839 ROKKY_TS2-scwrl costs 0 real_cost = 280 ROKKY_TS2 costs 0 real_cost = 283.43 ROKKY_TS1-scwrl costs 0 real_cost = 289.913 ROKKY_TS1 costs 0 real_cost = 290.779 ROBETTA_TS5-scwrl costs 0 real_cost = 290.229 ROBETTA_TS5 costs 0 real_cost = 291.242 ROBETTA_TS4-scwrl costs 0 real_cost = 307.445 ROBETTA_TS4 costs 0 real_cost = 307.676 ROBETTA_TS3-scwrl costs 0 real_cost = 287.234 ROBETTA_TS3 costs 0 real_cost = 286.756 ROBETTA_TS2-scwrl costs 0 real_cost = 314.929 ROBETTA_TS2 costs 0 real_cost = 311.914 ROBETTA_TS1-scwrl costs 0 real_cost = 314.718 ROBETTA_TS1 costs 0 real_cost = 314.398 RAPTOR_TS5-scwrl costs 0 real_cost = 249.067 RAPTOR_TS5 costs 0 real_cost = 245.627 RAPTOR_TS4-scwrl costs 0 real_cost = 185.121 RAPTOR_TS4 costs 0 real_cost = 181.659 RAPTOR_TS3-scwrl costs 0 real_cost = 239.144 RAPTOR_TS3 costs 0 real_cost = 235.872 RAPTOR_TS2-scwrl costs 0 real_cost = 234.777 RAPTOR_TS2 costs 0 real_cost = 231.997 RAPTOR_TS1-scwrl costs 0 real_cost = 214.234 RAPTOR_TS1 costs 0 real_cost = 216.955 RAPTORESS_TS5-scwrl costs 0 real_cost = 239.883 RAPTORESS_TS5 costs 0 real_cost = 243.323 RAPTORESS_TS4-scwrl costs 0 real_cost = 176.001 RAPTORESS_TS4 costs 0 real_cost = 183.805 RAPTORESS_TS3-scwrl costs 0 real_cost = 232.869 RAPTORESS_TS3 costs 0 real_cost = 234.959 RAPTORESS_TS2-scwrl costs 0 real_cost = 257.24 RAPTORESS_TS2 costs 0 real_cost = 264.933 RAPTORESS_TS1-scwrl costs 0 real_cost = 221.927 RAPTORESS_TS1 costs 0 real_cost = 228.088 RAPTOR-ACE_TS5-scwrl costs 0 real_cost = 249.54 RAPTOR-ACE_TS5 costs 0 real_cost = 251.866 RAPTOR-ACE_TS4-scwrl costs 0 real_cost = 219.032 RAPTOR-ACE_TS4 costs 0 real_cost = 221.019 RAPTOR-ACE_TS3-scwrl costs 0 real_cost = 183.995 RAPTOR-ACE_TS3 costs 0 real_cost = 187.689 RAPTOR-ACE_TS2-scwrl costs 0 real_cost = 198.717 RAPTOR-ACE_TS2 costs 0 real_cost = 197.302 RAPTOR-ACE_TS1-scwrl costs 0 real_cost = 232.803 RAPTOR-ACE_TS1 costs 0 real_cost = 236.311 Pmodeller6_TS5-scwrl costs 0 real_cost = 240.812 Pmodeller6_TS5 costs 0 real_cost = 238.179 Pmodeller6_TS4-scwrl costs 0 real_cost = 287.234 Pmodeller6_TS4 costs 0 real_cost = 286.756 Pmodeller6_TS3-scwrl costs 0 real_cost = 948.266 Pmodeller6_TS3 costs 0 real_cost = 945.466 Pmodeller6_TS2-scwrl costs 0 real_cost = 290.229 Pmodeller6_TS2 costs 0 real_cost = 291.242 Pmodeller6_TS1-scwrl costs 0 real_cost = 210.352 Pmodeller6_TS1 costs 0 real_cost = 203.864 Phyre-2_TS5-scwrl costs 0 real_cost = 390.825 Phyre-2_TS5 costs 0 real_cost = 391.195 Phyre-2_TS4-scwrl costs 0 real_cost = 571.497 Phyre-2_TS4 costs 0 real_cost = 569.269 Phyre-2_TS3-scwrl costs 0 real_cost = 324.258 Phyre-2_TS3 costs 0 real_cost = 310.884 Phyre-2_TS2-scwrl costs 0 real_cost = 340.416 Phyre-2_TS2 costs 0 real_cost = 339.839 Phyre-2_TS1-scwrl costs 0 real_cost = 373.493 Phyre-2_TS1 costs 0 real_cost = 382.746 Phyre-1_TS1-scwrl costs 0 real_cost = 291.858 Phyre-1_TS1 costs 0 real_cost = 289.002 Pcons6_TS5-scwrl costs 0 real_cost = 321.959 Pcons6_TS5 costs 0 real_cost = 320.559 Pcons6_TS4-scwrl costs 0 real_cost = 322.459 Pcons6_TS4 costs 0 real_cost = 320.772 Pcons6_TS3-scwrl costs 0 real_cost = 305.322 Pcons6_TS3 costs 0 real_cost = 305.32 Pcons6_TS2-scwrl costs 0 real_cost = 308.896 Pcons6_TS2 costs 0 real_cost = 305.631 Pcons6_TS1-scwrl costs 0 real_cost = 321.959 Pcons6_TS1 costs 0 real_cost = 320.559 PROTINFO_TS5-scwrl costs 0 real_cost = 262.447 PROTINFO_TS5 costs 0 real_cost = 262.172 PROTINFO_TS4-scwrl costs 0 real_cost = 295.477 PROTINFO_TS4 costs 0 real_cost = 298.328 PROTINFO_TS3-scwrl costs 0 real_cost = 306.048 PROTINFO_TS3 costs 0 real_cost = 310.594 PROTINFO_TS2-scwrl costs 0 real_cost = 313.833 PROTINFO_TS2 costs 0 real_cost = 319.005 PROTINFO_TS1-scwrl costs 0 real_cost = 319.09 PROTINFO_TS1 costs 0 real_cost = 319.158 PROTINFO-AB_TS5-scwrl costs 0 real_cost = 256.799 PROTINFO-AB_TS5 costs 0 real_cost = 256.338 PROTINFO-AB_TS4-scwrl costs 0 real_cost = 244.529 PROTINFO-AB_TS4 costs 0 real_cost = 249.375 PROTINFO-AB_TS3-scwrl costs 0 real_cost = 246.622 PROTINFO-AB_TS3 costs 0 real_cost = 248.287 PROTINFO-AB_TS2-scwrl costs 0 real_cost = 245.847 PROTINFO-AB_TS2 costs 0 real_cost = 253.375 PROTINFO-AB_TS1-scwrl costs 0 real_cost = 261.908 PROTINFO-AB_TS1 costs 0 real_cost = 260.284 POMYSL_TS5-scwrl costs 0 real_cost = 797.353 POMYSL_TS5 costs 0 real_cost = 787.688 POMYSL_TS4-scwrl costs 0 real_cost = 964.336 POMYSL_TS3-scwrl costs 0 real_cost = 793.801 POMYSL_TS3 costs 0 real_cost = 795.636 POMYSL_TS2-scwrl costs 0 real_cost = 767.763 POMYSL_TS2 costs 0 real_cost = 771.771 NN_PUT_lab_TS1-scwrl costs 0 real_cost = 357.459 NN_PUT_lab_TS1 costs 0 real_cost = 571.262 MetaTasser_TS5-scwrl costs 0 real_cost = 195.555 MetaTasser_TS5 costs 0 real_cost = 200.993 MetaTasser_TS4-scwrl costs 0 real_cost = 215.187 MetaTasser_TS4 costs 0 real_cost = 217.121 MetaTasser_TS3-scwrl costs 0 real_cost = 177.679 MetaTasser_TS3 costs 0 real_cost = 178.161 MetaTasser_TS2-scwrl costs 0 real_cost = 212.299 MetaTasser_TS2 costs 0 real_cost = 210.59 MetaTasser_TS1-scwrl costs 0 real_cost = 188.129 MetaTasser_TS1 costs 0 real_cost = 190.298 Ma-OPUS-server_TS4-scwrl costs 0 real_cost = 302.916 Ma-OPUS-server_TS4 costs 0 real_cost = 304.128 Ma-OPUS-server_TS3-scwrl costs 0 real_cost = 293.227 Ma-OPUS-server_TS3 costs 0 real_cost = 291.604 Ma-OPUS-server_TS2-scwrl costs 0 real_cost = 309.172 Ma-OPUS-server_TS2 costs 0 real_cost = 309.48 Ma-OPUS-server_TS1-scwrl costs 0 real_cost = 282.671 Ma-OPUS-server_TS1 costs 0 real_cost = 285.867 LOOPP_TS5-scwrl costs 0 real_cost = 948.266 LOOPP_TS5 costs 0 real_cost = 945.466 LOOPP_TS4-scwrl costs 0 real_cost = 321.147 LOOPP_TS4 costs 0 real_cost = 319.433 LOOPP_TS3-scwrl costs 0 real_cost = 317.18 LOOPP_TS3 costs 0 real_cost = 317.616 LOOPP_TS2-scwrl costs 0 real_cost = 304.375 LOOPP_TS2 costs 0 real_cost = 305.321 LOOPP_TS1-scwrl costs 0 real_cost = 311.959 LOOPP_TS1 costs 0 real_cost = 310.952 Huber-Torda-Server_TS5-scwrl costs 0 real_cost = 666.128 Huber-Torda-Server_TS5 costs 0 real_cost = 731.779 Huber-Torda-Server_TS4-scwrl costs 0 real_cost = 753.636 Huber-Torda-Server_TS4 costs 0 real_cost = 794.318 Huber-Torda-Server_TS3-scwrl costs 0 real_cost = 766.155 Huber-Torda-Server_TS3 costs 0 real_cost = 802.197 Huber-Torda-Server_TS2-scwrl costs 0 real_cost = 477.862 Huber-Torda-Server_TS2 costs 0 real_cost = 613.367 Huber-Torda-Server_TS1-scwrl costs 0 real_cost = 434.332 Huber-Torda-Server_TS1 costs 0 real_cost = 614.003 HHpred3_TS1-scwrl costs 0 real_cost = 223.237 HHpred3_TS1 costs 0 real_cost = 221.893 HHpred2_TS1-scwrl costs 0 real_cost = 246.431 HHpred2_TS1 costs 0 real_cost = 251.506 HHpred1_TS1-scwrl costs 0 real_cost = 258.023 HHpred1_TS1 costs 0 real_cost = 259.02 GeneSilicoMetaServer_TS5-scwrl costs 0 real_cost = 301.051 GeneSilicoMetaServer_TS5 costs 0 real_cost = 303.54 GeneSilicoMetaServer_TS4-scwrl costs 0 real_cost = 929.066 GeneSilicoMetaServer_TS4 costs 0 real_cost = 927.666 GeneSilicoMetaServer_TS3-scwrl costs 0 real_cost = 218.118 GeneSilicoMetaServer_TS3 costs 0 real_cost = 221.673 GeneSilicoMetaServer_TS2-scwrl costs 0 real_cost = 300.609 GeneSilicoMetaServer_TS2 costs 0 real_cost = 302.332 GeneSilicoMetaServer_TS1-scwrl costs 0 real_cost = 330.832 GeneSilicoMetaServer_TS1 costs 0 real_cost = 332.322 FUNCTION_TS5-scwrl costs 0 real_cost = 283.971 FUNCTION_TS5 costs 0 real_cost = 285.415 FUNCTION_TS4-scwrl costs 0 real_cost = 296.193 FUNCTION_TS4 costs 0 real_cost = 295.547 FUNCTION_TS3-scwrl costs 0 real_cost = 295.764 FUNCTION_TS3 costs 0 real_cost = 297.475 FUNCTION_TS2-scwrl costs 0 real_cost = 291.375 FUNCTION_TS2 costs 0 real_cost = 290.241 FUNCTION_TS1-scwrl costs 0 real_cost = 287.37 FUNCTION_TS1 costs 0 real_cost = 289.923 FUGUE_AL5-scwrl costs 0 real_cost = 1259.47 FUGUE_AL5 costs 0 real_cost = 1330.27 FUGUE_AL4-scwrl costs 0 real_cost = 753.423 FUGUE_AL4 costs 0 real_cost = 852.651 FUGUE_AL3-scwrl costs 0 real_cost = 265.206 FUGUE_AL3 costs 0 real_cost = 571.157 FUGUE_AL2-scwrl costs 0 real_cost = 971.066 FUGUE_AL2 costs 0 real_cost = 1162.27 FUGUE_AL1-scwrl costs 0 real_cost = 964.666 FUGUE_AL1 costs 0 real_cost = 1163.87 FUGMOD_TS5-scwrl costs 0 real_cost = 1259.47 FUGMOD_TS5 costs 0 real_cost = 1257.07 FUGMOD_TS4-scwrl costs 0 real_cost = 711.914 FUGMOD_TS4 costs 0 real_cost = 715.442 FUGMOD_TS3-scwrl costs 0 real_cost = 233.625 FUGMOD_TS3 costs 0 real_cost = 230.188 FUGMOD_TS2-scwrl costs 0 real_cost = 941.066 FUGMOD_TS2 costs 0 real_cost = 937.666 FUGMOD_TS1-scwrl costs 0 real_cost = 948.266 FUGMOD_TS1 costs 0 real_cost = 945.466 FPSOLVER-SERVER_TS5-scwrl costs 0 real_cost = 305.709 FPSOLVER-SERVER_TS5 costs 0 real_cost = 305.291 FPSOLVER-SERVER_TS4-scwrl costs 0 real_cost = 312.806 FPSOLVER-SERVER_TS4 costs 0 real_cost = 311.199 FPSOLVER-SERVER_TS3-scwrl costs 0 real_cost = 306.548 FPSOLVER-SERVER_TS3 costs 0 real_cost = 307.543 FPSOLVER-SERVER_TS2-scwrl costs 0 real_cost = 302.09 FPSOLVER-SERVER_TS2 costs 0 real_cost = 302.029 FPSOLVER-SERVER_TS1-scwrl costs 0 real_cost = 321.349 FPSOLVER-SERVER_TS1 costs 0 real_cost = 320.659 FORTE2_AL5-scwrl costs 0 real_cost = 1050.07 FORTE2_AL5 costs 0 real_cost = 1208.27 FORTE2_AL4-scwrl costs 0 real_cost = 790.761 FORTE2_AL4 costs 0 real_cost = 906.754 FORTE2_AL3-scwrl costs 0 real_cost = 964.666 FORTE2_AL3 costs 0 real_cost = 1163.87 FORTE2_AL2-scwrl costs 0 real_cost = 379.671 FORTE2_AL2 costs 0 real_cost = 677.003 FORTE2_AL1-scwrl costs 0 real_cost = 339.816 FORTE2_AL1 costs 0 real_cost = 637.601 FORTE1_AL5-scwrl costs 0 real_cost = 525.275 FORTE1_AL5 costs 0 real_cost = 757.066 FORTE1_AL4-scwrl costs 0 real_cost = 805.998 FORTE1_AL4 costs 0 real_cost = 912.527 FORTE1_AL3-scwrl costs 0 real_cost = 964.666 FORTE1_AL3 costs 0 real_cost = 1163.87 FORTE1_AL2-scwrl costs 0 real_cost = 379.671 FORTE1_AL2 costs 0 real_cost = 677.003 FORTE1_AL1-scwrl costs 0 real_cost = 339.816 FORTE1_AL1 costs 0 real_cost = 637.601 FOLDpro_TS5-scwrl costs 0 real_cost = 246.694 FOLDpro_TS5 costs 0 real_cost = 245.861 FOLDpro_TS4-scwrl costs 0 real_cost = 221.261 FOLDpro_TS4 costs 0 real_cost = 222.341 FOLDpro_TS3-scwrl costs 0 real_cost = 237.97 FOLDpro_TS3 costs 0 real_cost = 236.048 FOLDpro_TS2-scwrl costs 0 real_cost = 276.449 FOLDpro_TS2 costs 0 real_cost = 281.044 FOLDpro_TS1-scwrl costs 0 real_cost = 259.628 FOLDpro_TS1 costs 0 real_cost = 258.675 FAMS_TS5-scwrl costs 0 real_cost = 948.266 FAMS_TS5 costs 0 real_cost = 945.466 FAMS_TS4-scwrl costs 0 real_cost = 283.971 FAMS_TS4 costs 0 real_cost = 285.415 FAMS_TS3-scwrl costs 0 real_cost = 948.266 FAMS_TS3 costs 0 real_cost = 945.466 FAMS_TS2-scwrl costs 0 real_cost = 246.143 FAMS_TS2 costs 0 real_cost = 245.049 FAMS_TS1-scwrl costs 0 real_cost = 272.375 FAMS_TS1 costs 0 real_cost = 274.18 FAMSD_TS5-scwrl costs 0 real_cost = 315.859 FAMSD_TS5 costs 0 real_cost = 317.923 FAMSD_TS4-scwrl costs 0 real_cost = 408.745 FAMSD_TS4 costs 0 real_cost = 391.374 FAMSD_TS3-scwrl costs 0 real_cost = 303.408 FAMSD_TS3 costs 0 real_cost = 304.96 FAMSD_TS2-scwrl costs 0 real_cost = 301.208 FAMSD_TS2 costs 0 real_cost = 306.874 FAMSD_TS1-scwrl costs 0 real_cost = 232.48 FAMSD_TS1 costs 0 real_cost = 230.878 Distill_TS5-scwrl costs 0 real_cost = 856.262 Distill_TS4-scwrl costs 0 real_cost = 866.072 Distill_TS3-scwrl costs 0 real_cost = 858.312 Distill_TS2-scwrl costs 0 real_cost = 848.054 Distill_TS1-scwrl costs 0 real_cost = 869.949 CaspIta-FOX_TS5-scwrl costs 0 real_cost = 1135.87 CaspIta-FOX_TS5 costs 0 real_cost = 1129.07 CaspIta-FOX_TS4-scwrl costs 0 real_cost = 568.137 CaspIta-FOX_TS4 costs 0 real_cost = 536.442 CaspIta-FOX_TS3-scwrl costs 0 real_cost = 1134.67 CaspIta-FOX_TS3 costs 0 real_cost = 1133.47 CaspIta-FOX_TS2-scwrl costs 0 real_cost = 308.556 CaspIta-FOX_TS2 costs 0 real_cost = 299.66 CaspIta-FOX_TS1-scwrl costs 0 real_cost = 327.894 CaspIta-FOX_TS1 costs 0 real_cost = 324.154 CPHmodels_TS1-scwrl costs 0 real_cost = 999.266 CPHmodels_TS1 costs 0 real_cost = 996.066 CIRCLE_TS5-scwrl costs 0 real_cost = 947.066 CIRCLE_TS5 costs 0 real_cost = 944.066 CIRCLE_TS4-scwrl costs 0 real_cost = 948.266 CIRCLE_TS4 costs 0 real_cost = 945.466 CIRCLE_TS3-scwrl costs 0 real_cost = 947.066 CIRCLE_TS3 costs 0 real_cost = 944.066 CIRCLE_TS2-scwrl costs 0 real_cost = 948.266 CIRCLE_TS2 costs 0 real_cost = 945.466 CIRCLE_TS1-scwrl costs 0 real_cost = 272.375 CIRCLE_TS1 costs 0 real_cost = 274.18 Bilab-ENABLE_TS5-scwrl costs 0 real_cost = 235.101 Bilab-ENABLE_TS5 costs 0 real_cost = 235.099 Bilab-ENABLE_TS4-scwrl costs 0 real_cost = 221.977 Bilab-ENABLE_TS4 costs 0 real_cost = 222.019 Bilab-ENABLE_TS3-scwrl costs 0 real_cost = 225.411 Bilab-ENABLE_TS3 costs 0 real_cost = 225.411 Bilab-ENABLE_TS2-scwrl costs 0 real_cost = 210.934 Bilab-ENABLE_TS2 costs 0 real_cost = 211.16 Bilab-ENABLE_TS1-scwrl costs 0 real_cost = 212.85 Bilab-ENABLE_TS1 costs 0 real_cost = 212.85 BayesHH_TS1-scwrl costs 0 real_cost = 189.983 BayesHH_TS1 costs 0 real_cost = 197.023 ABIpro_TS5-scwrl costs 0 real_cost = 300.728 ABIpro_TS5 costs 0 real_cost = 300.727 ABIpro_TS4-scwrl costs 0 real_cost = 293.399 ABIpro_TS4 costs 0 real_cost = 293.4 ABIpro_TS3-scwrl costs 0 real_cost = 276.214 ABIpro_TS3 costs 0 real_cost = 276.214 ABIpro_TS2-scwrl costs 0 real_cost = 326.004 ABIpro_TS2 costs 0 real_cost = 326.004 ABIpro_TS1-scwrl costs 0 real_cost = 293.03 ABIpro_TS1 costs 0 real_cost = 293.017 3Dpro_TS5-scwrl costs 0 real_cost = 254.916 3Dpro_TS5 costs 0 real_cost = 248.046 3Dpro_TS4-scwrl costs 0 real_cost = 259.628 3Dpro_TS4 costs 0 real_cost = 258.675 3Dpro_TS3-scwrl costs 0 real_cost = 253.672 3Dpro_TS3 costs 0 real_cost = 253.249 3Dpro_TS2-scwrl costs 0 real_cost = 254.463 3Dpro_TS2 costs 0 real_cost = 255.156 3Dpro_TS1-scwrl costs 0 real_cost = 244.448 3Dpro_TS1 costs 0 real_cost = 250.966 3D-JIGSAW_TS5-scwrl costs 0 real_cost = 954.066 3D-JIGSAW_TS5 costs 0 real_cost = 947.466 3D-JIGSAW_TS4-scwrl costs 0 real_cost = 954.066 3D-JIGSAW_TS4 costs 0 real_cost = 947.466 3D-JIGSAW_TS3-scwrl costs 0 real_cost = 944.066 3D-JIGSAW_TS3 costs 0 real_cost = 937.466 3D-JIGSAW_TS2-scwrl costs 0 real_cost = 954.066 3D-JIGSAW_TS2 costs 0 real_cost = 947.466 3D-JIGSAW_TS1-scwrl costs 0 real_cost = 954.066 3D-JIGSAW_TS1 costs 0 real_cost = 947.466 3D-JIGSAW_RECOM_TS5-scwrl costs 0 real_cost = 944.066 3D-JIGSAW_RECOM_TS5 costs 0 real_cost = 937.466 3D-JIGSAW_RECOM_TS4-scwrl costs 0 real_cost = 944.066 3D-JIGSAW_RECOM_TS4 costs 0 real_cost = 937.466 3D-JIGSAW_RECOM_TS3-scwrl costs 0 real_cost = 944.066 3D-JIGSAW_RECOM_TS3 costs 0 real_cost = 937.466 3D-JIGSAW_RECOM_TS2-scwrl costs 0 real_cost = 944.066 3D-JIGSAW_RECOM_TS2 costs 0 real_cost = 937.466 3D-JIGSAW_RECOM_TS1-scwrl costs 0 real_cost = 954.066 3D-JIGSAW_RECOM_TS1 costs 0 real_cost = 947.466 3D-JIGSAW_POPULUS_TS5-scwrl costs 0 real_cost = 954.066 3D-JIGSAW_POPULUS_TS5 costs 0 real_cost = 947.466 3D-JIGSAW_POPULUS_TS4-scwrl costs 0 real_cost = 954.066 3D-JIGSAW_POPULUS_TS4 costs 0 real_cost = 947.466 3D-JIGSAW_POPULUS_TS3-scwrl costs 0 real_cost = 944.066 3D-JIGSAW_POPULUS_TS3 costs 0 real_cost = 937.466 3D-JIGSAW_POPULUS_TS2-scwrl costs 0 real_cost = 944.066 3D-JIGSAW_POPULUS_TS2 costs 0 real_cost = 937.466 3D-JIGSAW_POPULUS_TS1-scwrl costs 0 real_cost = 944.066 3D-JIGSAW_POPULUS_TS1 costs 0 real_cost = 937.466 old-6mer//6mer-1gytA-from-try4-opt2 costs 0 real_cost = 225.676 old-6mer//6mer-1gytA-from-try3-opt2 costs 0 real_cost = 264.307 dimer//dimer-1gytA-from-try4-opt2 costs 0 real_cost = 225.676 dimer//dimer-1gytA-from-try3-opt2 costs 0 real_cost = 264.307 dimer//try2-opt2.repack-nonPC costs 0 real_cost = 225.789 dimer//try2-opt2 costs 0 real_cost = 225.405 dimer//try2-opt2.gromacs0.repack-nonPC costs 0 real_cost = 233.222 dimer//try2-opt2.gromacs0 costs 0 real_cost = 229.978 dimer//try2-opt1 costs 0 real_cost = 225.69 dimer//try2-opt1-scwrl costs 0 real_cost = 224.25 dimer//try1-opt2.repack-nonPC costs 0 real_cost = 268.401 dimer//try1-opt2 costs 0 real_cost = 264.735 dimer//try1-opt2.gromacs0.repack-nonPC costs 0 real_cost = 263.876 dimer//try1-opt2.gromacs0 costs 0 real_cost = 266.5 dimer//try1-opt1 costs 0 real_cost = 263.803 dimer//try1-opt1-scwrl costs 0 real_cost = 263.328 6mer//6mer-1gytA-from-try4-opt2 costs 0 real_cost = 225.676 6mer//6mer-1gytA-from-try3-opt2.unpack costs 0 real_cost = 264.307 6mer//6mer-1gytA-from-try3-opt2 costs 0 real_cost = 264.307 chimera2.pdb.gz costs 0 real_cost = 225.661 chimera.pdb.gz costs 0 real_cost = 279.155 T0318.try4-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 223.976 T0318.try4-opt2.pdb.gz costs 0 real_cost = 224.042 T0318.try4-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = 233.26 T0318.try4-opt2.gromacs0.pdb.gz costs 0 real_cost = 228.897 T0318.try4-opt1.pdb.gz costs 0 real_cost = 225.79 T0318.try4-opt1-scwrl.pdb.gz costs 0 real_cost = 225.066 T0318.try3-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 265.984 T0318.try3-opt2.pdb.gz costs 0 real_cost = 264.314 T0318.try3-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = 262.301 T0318.try3-opt2.gromacs0.pdb.gz costs 0 real_cost = 263.224 T0318.try3-opt1.pdb.gz costs 0 real_cost = 265.218 T0318.try3-opt1-scwrl.pdb.gz costs 0 real_cost = 265.294 T0318.try2-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 268.626 T0318.try2-opt2.pdb.gz costs 0 real_cost = 268.145 T0318.try2-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = 266.084 T0318.try2-opt2.gromacs0.pdb.gz costs 0 real_cost = 267.012 T0318.try2-opt1.pdb.gz costs 0 real_cost = 263.134 T0318.try2-opt1-scwrl.pdb.gz costs 0 real_cost = 263.624 T0318.try1-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 266.141 T0318.try1-opt2.pdb.gz costs 0 real_cost = 265.109 T0318.try1-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = 265.193 T0318.try1-opt2.gromacs0.pdb.gz costs 0 real_cost = 264.771 T0318.try1-opt1.pdb.gz costs 0 real_cost = 267.665 T0318.try1-opt1-scwrl.pdb.gz costs 0 real_cost = 268.159 ../model5.ts-submitted costs 0 real_cost = 352.506 ../model4.ts-submitted costs 0 real_cost = 279.172 ../model3.ts-submitted costs 0 real_cost = 265.096 ../model2.ts-submitted costs 0 real_cost = 225.64 ../model1.ts-submitted costs 0 real_cost = 264.328 align5 costs 0 real_cost = 761.715 align4 costs 0 real_cost = 605.084 align3 costs 0 real_cost = 763.632 align2 costs 0 real_cost = 257.039 align1 costs 0 real_cost = 343.09 T0318.try1-opt2.pdb costs 0 real_cost = 265.109 model5-scwrl costs 0 real_cost = 383.346 model5.ts-submitted costs 0 real_cost = 352.506 model4-scwrl costs 0 real_cost = 279.436 model4.ts-submitted costs 0 real_cost = 279.172 model3-scwrl costs 0 real_cost = 264.16 model3.ts-submitted costs 0 real_cost = 265.096 model2-scwrl costs 0 real_cost = 223.292 model2.ts-submitted costs 0 real_cost = 225.64 model1-scwrl costs 0 real_cost = 264.294 model1.ts-submitted costs 0 real_cost = 264.328 T0318_1.real.pdb costs 0 real_cost = -398.6 # command:CPU_time= 490.463 sec, elapsed time= 1467.2 sec) # command:rm -f sort.tmp /projects/compbio/bin/sorttbl real_cost < decoys/evaluate_1.rdb > sort.tmp mv -f sort.tmp decoys/evaluate_1.rdb mv -f decoys/evaluate_1.pretty decoys/evaluate_1.pretty.old mv: cannot stat `decoys/evaluate_1.pretty': No such file or directory make: [decoys/evaluate_1.pretty] Error 1 (ignored) /projects/compbio/experiments/protein-predict/casp7/scripts/prettyscore -terse -targpfx -decpoint < decoys/evaluate_1.rdb > decoys/evaluate_1.pretty rm -f decoys/evaluate_2.rdb sed -e s/XXX0000/T0318/ -e s/START_COL/1/ \ -e s/REAL_PDB/2hb6A/ \ -e s/_domain/_2/ \ -e s/read-pdb/read-pdb+servers/ \ -e 's/ReadConformPDBids/# ReadConformPDBids/' \ -e 's/# ReadConformPDB /ReadConformPDB /' \ -e 's/include COSTFCN.costfcn//' \ -e s/.COSTFCN// \ < /projects/compbio/experiments/protein-predict/casp7/starter-directory/evaluate.under \ | nice -2 /projects/compbio/programs/undertaker/undertaker # command:# Seed set to 1174826692 # 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= 5.78912 sec, elapsed time= 5.83376 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= 5.86611 sec, elapsed time= 5.92362 sec) # command:# Prefix for input files set to # command:# Making conformation for sequence T0318 numbered 1 through 491 Created new target T0318 from T0318.a2m # command:# command:# No conformations to remove in PopConform # command:# cleared Id set # command:# command:# ReadConformPDB reading from PDB file T0318_2.real.pdb looking for model 1 Skipped atom 2213, because occupancy 5.0000000e-01 <= existing 0.500 in T0318_2.real.pdb Skipped atom 2217, because occupancy 0.500 <= existing 0.500 in T0318_2.real.pdb Skipped atom 2219, because occupancy 0.500 <= existing 0.500 in T0318_2.real.pdb Skipped atom 2221, because occupancy 0.500 <= existing 0.500 in T0318_2.real.pdb Skipped atom 2223, because occupancy 0.500 <= existing 0.500 in T0318_2.real.pdb Skipped atom 2225, because occupancy 0.500 <= existing 0.500 in T0318_2.real.pdb Skipped atom 2558, because occupancy 0.500 <= existing 0.500 in T0318_2.real.pdb Skipped atom 2562, because occupancy 0.500 <= existing 0.500 in T0318_2.real.pdb Skipped atom 2564, because occupancy 0.500 <= existing 0.500 in T0318_2.real.pdb Skipped atom 2566, because occupancy 0.500 <= existing 0.500 in T0318_2.real.pdb Skipped atom 2568, because occupancy 0.500 <= existing 0.500 in T0318_2.real.pdb Skipped atom 2570, because occupancy 0.500 <= existing 0.500 in T0318_2.real.pdb Skipped atom 2629, because occupancy 0.500 <= existing 0.500 in T0318_2.real.pdb Skipped atom 2633, because occupancy 0.500 <= existing 0.500 in T0318_2.real.pdb Skipped atom 2635, because occupancy 0.500 <= existing 0.500 in T0318_2.real.pdb Skipped atom 2637, because occupancy 0.500 <= existing 0.500 in T0318_2.real.pdb Skipped atom 2677, because occupancy 0.500 <= existing 0.500 in T0318_2.real.pdb Skipped atom 2681, because occupancy 0.500 <= existing 0.500 in T0318_2.real.pdb Skipped atom 2683, because occupancy 0.500 <= existing 0.500 in T0318_2.real.pdb Skipped atom 2685, because occupancy 0.500 <= existing 0.500 in T0318_2.real.pdb Skipped atom 2687, because occupancy 0.500 <= existing 0.500 in T0318_2.real.pdb Skipped atom 2689, because occupancy 0.500 <= existing 0.500 in T0318_2.real.pdb Skipped atom 2969, because occupancy 0.500 <= existing 0.500 in T0318_2.real.pdb Skipped atom 2973, because occupancy 0.500 <= existing 0.500 in T0318_2.real.pdb Skipped atom 2975, because occupancy 0.500 <= existing 0.500 in T0318_2.real.pdb Skipped atom 2977, because occupancy 0.500 <= existing 0.500 in T0318_2.real.pdb Skipped atom 2979, because occupancy 0.500 <= existing 0.500 in T0318_2.real.pdb Skipped atom 2981, because occupancy 0.500 <= existing 0.500 in T0318_2.real.pdb Skipped atom 3077, because occupancy 0.500 <= existing 0.500 in T0318_2.real.pdb Skipped atom 3081, because occupancy 0.500 <= existing 0.500 in T0318_2.real.pdb Skipped atom 3083, because occupancy 0.500 <= existing 0.500 in T0318_2.real.pdb Skipped atom 3085, because occupancy 0.500 <= existing 0.500 in T0318_2.real.pdb Skipped atom 3087, because occupancy 0.500 <= existing 0.500 in T0318_2.real.pdb Skipped atom 3200, because occupancy 0.500 <= existing 0.500 in T0318_2.real.pdb Skipped atom 3204, because occupancy 0.500 <= existing 0.500 in T0318_2.real.pdb Skipped atom 3206, because occupancy 0.500 <= existing 0.500 in T0318_2.real.pdb Skipped atom 3208, because occupancy 0.500 <= existing 0.500 in T0318_2.real.pdb Skipped atom 3210, because occupancy 0.500 <= existing 0.500 in T0318_2.real.pdb Skipped atom 3251, because occupancy 0.500 <= existing 0.500 in T0318_2.real.pdb Skipped atom 3255, because occupancy 0.500 <= existing 0.500 in T0318_2.real.pdb Skipped atom 3257, because occupancy 0.500 <= existing 0.500 in T0318_2.real.pdb Skipped atom 3550, because occupancy 0.500 <= existing 0.500 in T0318_2.real.pdb Skipped atom 3554, because occupancy 0.500 <= existing 0.500 in T0318_2.real.pdb Skipped atom 3556, because occupancy 0.500 <= existing 0.500 in T0318_2.real.pdb Skipped atom 3558, because occupancy 0.500 <= existing 0.500 in T0318_2.real.pdb Skipped atom 3560, because occupancy 0.500 <= existing 0.500 in T0318_2.real.pdb Skipped atom 3642, because occupancy 0.500 <= existing 0.500 in T0318_2.real.pdb Skipped atom 3646, because occupancy 0.500 <= existing 0.500 in T0318_2.real.pdb Skipped atom 3648, because occupancy 0.500 <= existing 0.500 in T0318_2.real.pdb Skipped atom 3650, because occupancy 0.500 <= existing 0.500 in T0318_2.real.pdb # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # command:# Saving current conformation as real # command:# Prefix for output files set to decoys/ # command:# SetRealCost created real_cost = # ( 50 * real_hbond + 50 * real_hbond_u + 50 * decoy_hbond + 50 * decoy_hbond_u + 10 * real_NO_hbond + 10 * real_NO_hbond_u + 10 * decoy_NO_hbond + 10 * decoy_NO_hbond_u + 10 * knot + 200 * clens + 0 * rmsd + 35 * log_rmsd + 0 * rmsd_ca + 30 * log_rmsd_ca + 1 * GDT + 1 * smooth_GDT + 0.2 * missing_atoms ) # command:# SetCost created cost = # ) # command:CPU_time= 8.12077 sec, elapsed time= 8.20265 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 478 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -69.9254 # GDT_score(maxd=8,maxw=2.9)= -71.7385 # GDT_score(maxd=8,maxw=3.2)= -68.9001 # GDT_score(maxd=8,maxw=3.5)= -66.0945 # GDT_score(maxd=10,maxw=3.8)= -68.6375 # GDT_score(maxd=10,maxw=4)= -66.7644 # GDT_score(maxd=10,maxw=4.2)= -64.8817 # GDT_score(maxd=12,maxw=4.3)= -68.2844 # GDT_score(maxd=12,maxw=4.5)= -66.416 # GDT_score(maxd=12,maxw=4.7)= -64.5172 # GDT_score(maxd=14,maxw=5.2)= -63.4333 # GDT_score(maxd=14,maxw=5.5)= -60.6313 # command:# Prefix for output files set to # command:superimposing iter= 0 total_weight= 3805.000 rmsd (weighted)= 4.714 (unweighted)= 42.100 superimposing iter= 1 total_weight= 14215.848 rmsd (weighted)= 1.701 (unweighted)= 42.263 superimposing iter= 2 total_weight= 5892.636 rmsd (weighted)= 1.058 (unweighted)= 42.376 superimposing iter= 3 total_weight= 3567.210 rmsd (weighted)= 0.865 (unweighted)= 42.438 superimposing iter= 4 total_weight= 2896.654 rmsd (weighted)= 0.790 (unweighted)= 42.483 superimposing iter= 5 total_weight= 2685.182 rmsd (weighted)= 0.751 (unweighted)= 42.514 # command:# Prefix for output files set to decoys/ # command:# request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_2024068554.pdb -s /var/tmp/to_scwrl_2024068554.seq -o /var/tmp/from_scwrl_2024068554.pdb > /var/tmp/scwrl_2024068554.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2024068554.pdb # conformation set from SCWRL output # command:# naming current conformation model1-scwrl # command:# ReadConformPDB reading from PDB file model2.ts-submitted looking for model 1 # Found a chain break before 478 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -74.1791 # GDT_score(maxd=8,maxw=2.9)= -77.0464 # GDT_score(maxd=8,maxw=3.2)= -73.9402 # GDT_score(maxd=8,maxw=3.5)= -70.7462 # GDT_score(maxd=10,maxw=3.8)= -72.9465 # GDT_score(maxd=10,maxw=4)= -70.8781 # GDT_score(maxd=10,maxw=4.2)= -68.7554 # GDT_score(maxd=12,maxw=4.3)= -72.1393 # GDT_score(maxd=12,maxw=4.5)= -70.0636 # GDT_score(maxd=12,maxw=4.7)= -67.9965 # GDT_score(maxd=14,maxw=5.2)= -66.6253 # GDT_score(maxd=14,maxw=5.5)= -63.7111 # command:# request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1578191593.pdb -s /var/tmp/to_scwrl_1578191593.seq -o /var/tmp/from_scwrl_1578191593.pdb > /var/tmp/scwrl_1578191593.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1578191593.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 478 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -74.1045 # GDT_score(maxd=8,maxw=2.9)= -76.9956 # GDT_score(maxd=8,maxw=3.2)= -73.9459 # GDT_score(maxd=8,maxw=3.5)= -70.8247 # GDT_score(maxd=10,maxw=3.8)= -72.991 # GDT_score(maxd=10,maxw=4)= -70.9699 # GDT_score(maxd=10,maxw=4.2)= -68.9146 # GDT_score(maxd=12,maxw=4.3)= -72.231 # GDT_score(maxd=12,maxw=4.5)= -70.2157 # GDT_score(maxd=12,maxw=4.7)= -68.191 # GDT_score(maxd=14,maxw=5.2)= -66.839 # GDT_score(maxd=14,maxw=5.5)= -63.9275 # command:# request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_2005402439.pdb -s /var/tmp/to_scwrl_2005402439.seq -o /var/tmp/from_scwrl_2005402439.pdb > /var/tmp/scwrl_2005402439.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2005402439.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 478 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -72.6119 # GDT_score(maxd=8,maxw=2.9)= -75.3298 # GDT_score(maxd=8,maxw=3.2)= -72.2363 # GDT_score(maxd=8,maxw=3.5)= -69.1161 # GDT_score(maxd=10,maxw=3.8)= -71.445 # GDT_score(maxd=10,maxw=4)= -69.4267 # GDT_score(maxd=10,maxw=4.2)= -67.3685 # GDT_score(maxd=12,maxw=4.3)= -70.7946 # GDT_score(maxd=12,maxw=4.5)= -68.7753 # GDT_score(maxd=12,maxw=4.7)= -66.7677 # GDT_score(maxd=14,maxw=5.2)= -65.5122 # GDT_score(maxd=14,maxw=5.5)= -62.6584 # command:# request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1200799614.pdb -s /var/tmp/to_scwrl_1200799614.seq -o /var/tmp/from_scwrl_1200799614.pdb > /var/tmp/scwrl_1200799614.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1200799614.pdb # conformation set from SCWRL output # command:# naming current conformation model4-scwrl # command:# ReadConformPDB reading from PDB file model5.ts-submitted looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # command:# fraction of real conformation used = 0.961194 # GDT_score = -78.806 # GDT_score(maxd=8,maxw=2.9)= -82.506 # GDT_score(maxd=8,maxw=3.2)= -79.2847 # GDT_score(maxd=8,maxw=3.5)= -76.1273 # GDT_score(maxd=10,maxw=3.8)= -78.0219 # GDT_score(maxd=10,maxw=4)= -75.9848 # GDT_score(maxd=10,maxw=4.2)= -73.8849 # GDT_score(maxd=12,maxw=4.3)= -76.8524 # GDT_score(maxd=12,maxw=4.5)= -74.8138 # GDT_score(maxd=12,maxw=4.7)= -72.7265 # GDT_score(maxd=14,maxw=5.2)= -70.9169 # GDT_score(maxd=14,maxw=5.5)= -67.8341 # command:# request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1489529666.pdb -s /var/tmp/to_scwrl_1489529666.seq -o /var/tmp/from_scwrl_1489529666.pdb > /var/tmp/scwrl_1489529666.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1489529666.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 T0318.try1-opt2.pdb looking for model 1 # Found a chain break before 478 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -73.9552 # GDT_score(maxd=8,maxw=2.9)= -76.9338 # GDT_score(maxd=8,maxw=3.2)= -73.8839 # GDT_score(maxd=8,maxw=3.5)= -70.7666 # GDT_score(maxd=10,maxw=3.8)= -72.9254 # GDT_score(maxd=10,maxw=4)= -70.9028 # GDT_score(maxd=10,maxw=4.2)= -68.8504 # GDT_score(maxd=12,maxw=4.3)= -72.1663 # GDT_score(maxd=12,maxw=4.5)= -70.1547 # GDT_score(maxd=12,maxw=4.7)= -68.1331 # GDT_score(maxd=14,maxw=5.2)= -66.7841 # GDT_score(maxd=14,maxw=5.5)= -63.8757 # command:# Prefix for output files set to # command:superimposing iter= 0 total_weight= 3805.000 rmsd (weighted)= 4.295 (unweighted)= 43.989 superimposing iter= 1 total_weight= 14473.064 rmsd (weighted)= 1.532 (unweighted)= 44.353 superimposing iter= 2 total_weight= 5448.176 rmsd (weighted)= 0.988 (unweighted)= 44.578 superimposing iter= 3 total_weight= 3574.041 rmsd (weighted)= 0.807 (unweighted)= 44.678 superimposing iter= 4 total_weight= 2896.555 rmsd (weighted)= 0.738 (unweighted)= 44.729 superimposing iter= 5 total_weight= 2671.420 rmsd (weighted)= 0.704 (unweighted)= 44.756 # command:# Prefix for output files set to decoys/ # command:# Prefix for input files set to # command:# ReadConformPDB reading from PDB file T0318.undertaker-align.pdb looking for model 1 WARNING: atoms too close: (T0318)R58.C and (T0318)I59.C only 0.000 apart, marking (T0318)I59.C as missing WARNING: atoms too close: (T0318)I59.N and (T0318)P60.N only 0.000 apart, marking (T0318)I59.N as missing WARNING: atoms too close: (T0318)I59.CA and (T0318)P60.CA only 0.000 apart, marking (T0318)I59.CA as missing WARNING: atoms too close: (T0318)E96.C and (T0318)E104.C only 0.000 apart, marking (T0318)E104.C as missing WARNING: atoms too close: (T0318)L97.N and (T0318)D105.N only 0.000 apart, marking (T0318)L97.N as missing WARNING: atoms too close: (T0318)L97.CA and (T0318)D105.CA only 0.000 apart, marking (T0318)L97.CA as missing WARNING: atoms too close: (T0318)F134.C and (T0318)T138.C only 0.000 apart, marking (T0318)T138.C as missing WARNING: atoms too close: (T0318)S135.N and (T0318)S139.N only 0.000 apart, marking (T0318)S135.N as missing WARNING: atoms too close: (T0318)S135.CA and (T0318)S139.CA only 0.000 apart, marking (T0318)S135.CA as missing WARNING: atoms too close: (T0318)V150.C and (T0318)V151.C only 0.000 apart, marking (T0318)V151.C as missing WARNING: atoms too close: (T0318)V151.N and (T0318)C152.N only 0.000 apart, marking (T0318)V151.N as missing WARNING: atoms too close: (T0318)V151.CA and (T0318)C152.CA only 0.000 apart, marking (T0318)V151.CA as missing WARNING: atoms too close: (T0318)A348.C and (T0318)K349.C only 0.000 apart, marking (T0318)K349.C as missing WARNING: atoms too close: (T0318)K349.N and (T0318)E350.N only 0.000 apart, marking (T0318)K349.N as missing WARNING: atoms too close: (T0318)K349.CA and (T0318)E350.CA only 0.000 apart, marking (T0318)K349.CA as missing WARNING: atoms too close: (T0318)N425.C and (T0318)G427.C only 0.000 apart, marking (T0318)G427.C as missing WARNING: atoms too close: (T0318)L426.N and (T0318)K428.N only 0.000 apart, marking (T0318)L426.N as missing WARNING: atoms too close: (T0318)L426.CA and (T0318)K428.CA only 0.000 apart, marking (T0318)L426.CA as missing WARNING: atoms too close: (T0318)I445.C and (T0318)G448.C only 0.000 apart, marking (T0318)G448.C as missing WARNING: atoms too close: (T0318)G446.N and (T0318)E449.N only 0.000 apart, marking (T0318)G446.N as missing WARNING: atoms too close: (T0318)G446.CA and (T0318)E449.CA only 0.000 apart, marking (T0318)G446.CA as missing # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # command:# naming current conformation align1 # command:# fraction of real conformation used = 0.964179 # GDT_score = -78.9552 # GDT_score(maxd=8,maxw=2.9)= -82.5815 # GDT_score(maxd=8,maxw=3.2)= -79.3571 # GDT_score(maxd=8,maxw=3.5)= -76.1905 # GDT_score(maxd=10,maxw=3.8)= -78.1054 # GDT_score(maxd=10,maxw=4)= -76.063 # GDT_score(maxd=10,maxw=4.2)= -73.9598 # GDT_score(maxd=12,maxw=4.3)= -76.9435 # GDT_score(maxd=12,maxw=4.5)= -74.9008 # GDT_score(maxd=12,maxw=4.7)= -72.8098 # GDT_score(maxd=14,maxw=5.2)= -71.0041 # GDT_score(maxd=14,maxw=5.5)= -67.9164 # command:# ReadConformPDB reading from PDB file T0318.undertaker-align.pdb looking for model 2 WARNING: atoms too close: (T0318)N145.C and (T0318)N147.C only 0.000 apart, marking (T0318)N147.C as missing WARNING: atoms too close: (T0318)V146.N and (T0318)I148.N only 0.000 apart, marking (T0318)V146.N as missing WARNING: atoms too close: (T0318)V146.CA and (T0318)I148.CA only 0.000 apart, marking (T0318)V146.CA as missing WARNING: atoms too close: (T0318)A348.C and (T0318)K349.C only 0.000 apart, marking (T0318)K349.C as missing WARNING: atoms too close: (T0318)K349.N and (T0318)E350.N only 0.000 apart, marking (T0318)K349.N as missing WARNING: atoms too close: (T0318)K349.CA and (T0318)E350.CA only 0.000 apart, marking (T0318)K349.CA as missing WARNING: atoms too close: (T0318)G431.C and (T0318)P433.C only 0.000 apart, marking (T0318)P433.C as missing WARNING: atoms too close: (T0318)P432.N and (T0318)S434.N only 0.000 apart, marking (T0318)P432.N as missing WARNING: atoms too close: (T0318)P432.CA and (T0318)S434.CA only 0.000 apart, marking (T0318)P432.CA as missing WARNING: atoms too close: (T0318)I445.C and (T0318)G448.C only 0.000 apart, marking (T0318)G448.C as missing WARNING: atoms too close: (T0318)G446.N and (T0318)E449.N only 0.000 apart, marking (T0318)G446.N as missing WARNING: atoms too close: (T0318)G446.CA and (T0318)E449.CA only 0.000 apart, marking (T0318)G446.CA as missing # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # command:# naming current conformation align2 # command:# fraction of real conformation used = 0.973134 # GDT_score = -78.4328 # GDT_score(maxd=8,maxw=2.9)= -81.8289 # GDT_score(maxd=8,maxw=3.2)= -78.7275 # GDT_score(maxd=8,maxw=3.5)= -75.5721 # GDT_score(maxd=10,maxw=3.8)= -77.5601 # GDT_score(maxd=10,maxw=4)= -75.47 # GDT_score(maxd=10,maxw=4.2)= -73.2723 # GDT_score(maxd=12,maxw=4.3)= -76.408 # GDT_score(maxd=12,maxw=4.5)= -74.2647 # GDT_score(maxd=12,maxw=4.7)= -72.0901 # GDT_score(maxd=14,maxw=5.2)= -70.3178 # GDT_score(maxd=14,maxw=5.5)= -67.2435 # command:# ReadConformPDB reading from PDB file T0318.undertaker-align.pdb looking for model 3 WARNING: atoms too close: (T0318)F162.C and (T0318)T164.C only 0.000 apart, marking (T0318)T164.C as missing WARNING: atoms too close: (T0318)L163.N and (T0318)D165.N only 0.000 apart, marking (T0318)L163.N as missing WARNING: atoms too close: (T0318)L163.CA and (T0318)D165.CA only 0.000 apart, marking (T0318)L163.CA as missing WARNING: atoms too close: (T0318)V240.C and (T0318)P241.C only 0.000 apart, marking (T0318)P241.C as missing WARNING: atoms too close: (T0318)P241.N and (T0318)G242.N only 0.000 apart, marking (T0318)P241.N as missing WARNING: atoms too close: (T0318)P241.CA and (T0318)G242.CA only 0.000 apart, marking (T0318)P241.CA as missing WARNING: atoms too close: (T0318)G253.C and (T0318)Q262.C only 0.000 apart, marking (T0318)Q262.C as missing WARNING: atoms too close: (T0318)V254.N and (T0318)I263.N only 0.000 apart, marking (T0318)V254.N as missing WARNING: atoms too close: (T0318)V254.CA and (T0318)I263.CA only 0.000 apart, marking (T0318)V254.CA as missing WARNING: atoms too close: (T0318)L363.C and (T0318)W369.C only 0.000 apart, marking (T0318)W369.C as missing WARNING: atoms too close: (T0318)T364.N and (T0318)L370.N only 0.000 apart, marking (T0318)T364.N as missing WARNING: atoms too close: (T0318)T364.CA and (T0318)L370.CA only 0.000 apart, marking (T0318)T364.CA as missing WARNING: atoms too close: (T0318)S434.C and (T0318)I441.C only 0.000 apart, marking (T0318)I441.C as missing WARNING: atoms too close: (T0318)A435.N and (T0318)G442.N only 0.000 apart, marking (T0318)A435.N as missing WARNING: atoms too close: (T0318)A435.CA and (T0318)G442.CA only 0.000 apart, marking (T0318)A435.CA as missing WARNING: atoms too close: (T0318)I445.C and (T0318)F447.C only 0.000 apart, marking (T0318)F447.C as missing WARNING: atoms too close: (T0318)G446.N and (T0318)G448.N only 0.000 apart, marking (T0318)G446.N as missing WARNING: atoms too close: (T0318)G446.CA and (T0318)G448.CA only 0.000 apart, marking (T0318)G446.CA as missing # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # command:# naming current conformation align3 # command:# ReadConformPDB reading from PDB file T0318.undertaker-align.pdb looking for model 4 WARNING: atoms too close: (T0318)F162.C and (T0318)T164.C only 0.000 apart, marking (T0318)T164.C as missing WARNING: atoms too close: (T0318)L163.N and (T0318)D165.N only 0.000 apart, marking (T0318)L163.N as missing WARNING: atoms too close: (T0318)L163.CA and (T0318)D165.CA only 0.000 apart, marking (T0318)L163.CA as missing WARNING: atoms too close: (T0318)V240.C and (T0318)P241.C only 0.000 apart, marking (T0318)P241.C as missing WARNING: atoms too close: (T0318)P241.N and (T0318)G242.N only 0.000 apart, marking (T0318)P241.N as missing WARNING: atoms too close: (T0318)P241.CA and (T0318)G242.CA only 0.000 apart, marking (T0318)P241.CA as missing WARNING: atoms too close: (T0318)K252.C and (T0318)L261.C only 0.000 apart, marking (T0318)L261.C as missing WARNING: atoms too close: (T0318)G253.N and (T0318)Q262.N only 0.000 apart, marking (T0318)G253.N as missing WARNING: atoms too close: (T0318)G253.CA and (T0318)Q262.CA only 0.000 apart, marking (T0318)G253.CA as missing WARNING: atoms too close: (T0318)L363.C and (T0318)W369.C only 0.000 apart, marking (T0318)W369.C as missing WARNING: atoms too close: (T0318)T364.N and (T0318)L370.N only 0.000 apart, marking (T0318)T364.N as missing WARNING: atoms too close: (T0318)T364.CA and (T0318)L370.CA only 0.000 apart, marking (T0318)T364.CA as missing WARNING: atoms too close: (T0318)D408.C and (T0318)G427.C only 0.000 apart, marking (T0318)G427.C as missing WARNING: atoms too close: (T0318)L409.N and (T0318)K428.N only 0.000 apart, marking (T0318)L409.N as missing WARNING: atoms too close: (T0318)L409.CA and (T0318)K428.CA only 0.000 apart, marking (T0318)L409.CA as missing WARNING: atoms too close: (T0318)P432.C and (T0318)G442.C only 0.000 apart, marking (T0318)G442.C as missing WARNING: atoms too close: (T0318)P433.N and (T0318)A443.N only 0.000 apart, marking (T0318)P433.N as missing WARNING: atoms too close: (T0318)P433.CA and (T0318)A443.CA only 0.000 apart, marking (T0318)P433.CA as missing WARNING: atoms too close: (T0318)I445.C and (T0318)F447.C only 0.000 apart, marking (T0318)F447.C as missing WARNING: atoms too close: (T0318)G446.N and (T0318)G448.N only 0.000 apart, marking (T0318)G446.N as missing WARNING: atoms too close: (T0318)G446.CA and (T0318)G448.CA only 0.000 apart, marking (T0318)G446.CA as missing # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # command:# naming current conformation align4 # command:# ReadConformPDB reading from PDB file T0318.undertaker-align.pdb looking for model 5 WARNING: atoms too close: (T0318)F162.C and (T0318)T164.C only 0.000 apart, marking (T0318)T164.C as missing WARNING: atoms too close: (T0318)L163.N and (T0318)D165.N only 0.000 apart, marking (T0318)L163.N as missing WARNING: atoms too close: (T0318)L163.CA and (T0318)D165.CA only 0.000 apart, marking (T0318)L163.CA as missing WARNING: atoms too close: (T0318)L363.C and (T0318)W369.C only 0.000 apart, marking (T0318)W369.C as missing WARNING: atoms too close: (T0318)T364.N and (T0318)L370.N only 0.000 apart, marking (T0318)T364.N as missing WARNING: atoms too close: (T0318)T364.CA and (T0318)L370.CA only 0.000 apart, marking (T0318)T364.CA as missing WARNING: atoms too close: (T0318)P433.C and (T0318)I441.C only 0.000 apart, marking (T0318)I441.C as missing WARNING: atoms too close: (T0318)S434.N and (T0318)G442.N only 0.000 apart, marking (T0318)S434.N as missing WARNING: atoms too close: (T0318)S434.CA and (T0318)G442.CA only 0.000 apart, marking (T0318)S434.CA as missing WARNING: atoms too close: (T0318)I445.C and (T0318)F447.C only 0.000 apart, marking (T0318)F447.C as missing WARNING: atoms too close: (T0318)G446.N and (T0318)G448.N only 0.000 apart, marking (T0318)G446.N as missing WARNING: atoms too close: (T0318)G446.CA and (T0318)G448.CA only 0.000 apart, marking (T0318)G446.CA as missing # WARNING: incomplete conformation T0318 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 478 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model2.ts-submitted looking for model 1 # Found a chain break before 478 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model3.ts-submitted looking for model 1 # Found a chain break before 478 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model4.ts-submitted looking for model 1 # Found a chain break before 478 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model5.ts-submitted looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # ReadConformPDB reading from PDB file T0318.try1-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 478 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0318.try1-opt1.pdb.gz looking for model 1 # Found a chain break before 478 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0318.try1-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 486 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0318.try1-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 486 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0318.try1-opt2.pdb.gz looking for model 1 # Found a chain break before 478 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0318.try1-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 478 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0318.try2-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 478 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0318.try2-opt1.pdb.gz looking for model 1 # Found a chain break before 478 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0318.try2-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 483 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0318.try2-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 483 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0318.try2-opt2.pdb.gz looking for model 1 # Found a chain break before 478 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0318.try2-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 478 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0318.try3-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 478 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0318.try3-opt1.pdb.gz looking for model 1 # Found a chain break before 478 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0318.try3-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 486 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0318.try3-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 486 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0318.try3-opt2.pdb.gz looking for model 1 # Found a chain break before 478 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0318.try3-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 478 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0318.try4-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 478 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0318.try4-opt1.pdb.gz looking for model 1 # Found a chain break before 478 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0318.try4-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 486 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0318.try4-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 486 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0318.try4-opt2.pdb.gz looking for model 1 # Found a chain break before 478 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0318.try4-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 478 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file chimera.pdb.gz looking for model 1 # Found a chain break before 478 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file chimera2.pdb.gz looking for model 1 # Found a chain break before 478 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../6mer/decoys/6mer-1gytA-from-try3-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 478 # copying to AlignedFragments data structure # naming current conformation 6mer//6mer-1gytA-from-try3-opt2 # ReadConformPDB reading from PDB file ../6mer/decoys/6mer-1gytA-from-try3-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 478 # copying to AlignedFragments data structure # naming current conformation 6mer//6mer-1gytA-from-try3-opt2.unpack # ReadConformPDB reading from PDB file ../6mer/decoys/6mer-1gytA-from-try4-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 478 # copying to AlignedFragments data structure # naming current conformation 6mer//6mer-1gytA-from-try4-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0318.try1-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 478 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0318.try1-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 478 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0318.try1-opt2.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 490 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt2.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0318.try1-opt2.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 490 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt2.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0318.try1-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 478 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0318.try1-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 478 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0318.try2-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 478 # copying to AlignedFragments data structure # naming current conformation dimer//try2-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0318.try2-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 478 # copying to AlignedFragments data structure # naming current conformation dimer//try2-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0318.try2-opt2.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 490 # copying to AlignedFragments data structure # naming current conformation dimer//try2-opt2.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0318.try2-opt2.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 490 # copying to AlignedFragments data structure # naming current conformation dimer//try2-opt2.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0318.try2-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 478 # copying to AlignedFragments data structure # naming current conformation dimer//try2-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0318.try2-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 478 # copying to AlignedFragments data structure # naming current conformation dimer//try2-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/dimer-1gytA-from-try3-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 478 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-1gytA-from-try3-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/dimer-1gytA-from-try4-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 478 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-1gytA-from-try4-opt2 # ReadConformPDB reading from PDB file ../old-6mer/decoys/6mer-1gytA-from-try3-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 478 # copying to AlignedFragments data structure # naming current conformation old-6mer//6mer-1gytA-from-try3-opt2 # ReadConformPDB reading from PDB file ../old-6mer/decoys/6mer-1gytA-from-try4-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 478 # copying to AlignedFragments data structure # naming current conformation old-6mer//6mer-1gytA-from-try4-opt2 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1325755685.pdb -s /var/tmp/to_scwrl_1325755685.seq -o /var/tmp/from_scwrl_1325755685.pdb > /var/tmp/scwrl_1325755685.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1325755685.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_POPULUS_TS1-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_2041144819.pdb -s /var/tmp/to_scwrl_2041144819.seq -o /var/tmp/from_scwrl_2041144819.pdb > /var/tmp/scwrl_2041144819.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2041144819.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 T0318 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1571155252.pdb -s /var/tmp/to_scwrl_1571155252.seq -o /var/tmp/from_scwrl_1571155252.pdb > /var/tmp/scwrl_1571155252.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1571155252.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_POPULUS_TS3-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_813504531.pdb -s /var/tmp/to_scwrl_813504531.seq -o /var/tmp/from_scwrl_813504531.pdb > /var/tmp/scwrl_813504531.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_813504531.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_POPULUS_TS4-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1367594190.pdb -s /var/tmp/to_scwrl_1367594190.seq -o /var/tmp/from_scwrl_1367594190.pdb > /var/tmp/scwrl_1367594190.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1367594190.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 T0318 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_396447903.pdb -s /var/tmp/to_scwrl_396447903.seq -o /var/tmp/from_scwrl_396447903.pdb > /var/tmp/scwrl_396447903.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_396447903.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 T0318 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1211195309.pdb -s /var/tmp/to_scwrl_1211195309.seq -o /var/tmp/from_scwrl_1211195309.pdb > /var/tmp/scwrl_1211195309.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1211195309.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 T0318 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_2130272379.pdb -s /var/tmp/to_scwrl_2130272379.seq -o /var/tmp/from_scwrl_2130272379.pdb > /var/tmp/scwrl_2130272379.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2130272379.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 T0318 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1388746780.pdb -s /var/tmp/to_scwrl_1388746780.seq -o /var/tmp/from_scwrl_1388746780.pdb > /var/tmp/scwrl_1388746780.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1388746780.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 T0318 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_585367688.pdb -s /var/tmp/to_scwrl_585367688.seq -o /var/tmp/from_scwrl_585367688.pdb > /var/tmp/scwrl_585367688.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_585367688.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 T0318 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1417175498.pdb -s /var/tmp/to_scwrl_1417175498.seq -o /var/tmp/from_scwrl_1417175498.pdb > /var/tmp/scwrl_1417175498.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1417175498.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 T0318 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1200696369.pdb -s /var/tmp/to_scwrl_1200696369.seq -o /var/tmp/from_scwrl_1200696369.pdb > /var/tmp/scwrl_1200696369.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1200696369.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 T0318 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_255165598.pdb -s /var/tmp/to_scwrl_255165598.seq -o /var/tmp/from_scwrl_255165598.pdb > /var/tmp/scwrl_255165598.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_255165598.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 T0318 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_564024852.pdb -s /var/tmp/to_scwrl_564024852.seq -o /var/tmp/from_scwrl_564024852.pdb > /var/tmp/scwrl_564024852.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_564024852.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_TS4-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1695638635.pdb -s /var/tmp/to_scwrl_1695638635.seq -o /var/tmp/from_scwrl_1695638635.pdb > /var/tmp/scwrl_1695638635.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1695638635.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 487 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_498371023.pdb -s /var/tmp/to_scwrl_498371023.seq -o /var/tmp/from_scwrl_498371023.pdb > /var/tmp/scwrl_498371023.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_498371023.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 487 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_827739689.pdb -s /var/tmp/to_scwrl_827739689.seq -o /var/tmp/from_scwrl_827739689.pdb > /var/tmp/scwrl_827739689.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_827739689.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 490 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_188940759.pdb -s /var/tmp/to_scwrl_188940759.seq -o /var/tmp/from_scwrl_188940759.pdb > /var/tmp/scwrl_188940759.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_188940759.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 471 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1657373835.pdb -s /var/tmp/to_scwrl_1657373835.seq -o /var/tmp/from_scwrl_1657373835.pdb > /var/tmp/scwrl_1657373835.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1657373835.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 472 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_498804212.pdb -s /var/tmp/to_scwrl_498804212.seq -o /var/tmp/from_scwrl_498804212.pdb > /var/tmp/scwrl_498804212.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_498804212.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 485 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_697961707.pdb -s /var/tmp/to_scwrl_697961707.seq -o /var/tmp/from_scwrl_697961707.pdb > /var/tmp/scwrl_697961707.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_697961707.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 478 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_924211170.pdb -s /var/tmp/to_scwrl_924211170.seq -o /var/tmp/from_scwrl_924211170.pdb > /var/tmp/scwrl_924211170.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_924211170.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 482 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_865454303.pdb -s /var/tmp/to_scwrl_865454303.seq -o /var/tmp/from_scwrl_865454303.pdb > /var/tmp/scwrl_865454303.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_865454303.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 486 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1977590809.pdb -s /var/tmp/to_scwrl_1977590809.seq -o /var/tmp/from_scwrl_1977590809.pdb > /var/tmp/scwrl_1977590809.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1977590809.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 488 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1730829917.pdb -s /var/tmp/to_scwrl_1730829917.seq -o /var/tmp/from_scwrl_1730829917.pdb > /var/tmp/scwrl_1730829917.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1730829917.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 486 # copying to AlignedFragments data structure # naming current conformation BayesHH_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_621115160.pdb -s /var/tmp/to_scwrl_621115160.seq -o /var/tmp/from_scwrl_621115160.pdb > /var/tmp/scwrl_621115160.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_621115160.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 490 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1854175716.pdb -s /var/tmp/to_scwrl_1854175716.seq -o /var/tmp/from_scwrl_1854175716.pdb > /var/tmp/scwrl_1854175716.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1854175716.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 490 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1161537864.pdb -s /var/tmp/to_scwrl_1161537864.seq -o /var/tmp/from_scwrl_1161537864.pdb > /var/tmp/scwrl_1161537864.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1161537864.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 490 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_479033952.pdb -s /var/tmp/to_scwrl_479033952.seq -o /var/tmp/from_scwrl_479033952.pdb > /var/tmp/scwrl_479033952.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_479033952.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 490 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_907491685.pdb -s /var/tmp/to_scwrl_907491685.seq -o /var/tmp/from_scwrl_907491685.pdb > /var/tmp/scwrl_907491685.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_907491685.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 490 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_503583884.pdb -s /var/tmp/to_scwrl_503583884.seq -o /var/tmp/from_scwrl_503583884.pdb > /var/tmp/scwrl_503583884.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_503583884.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 489 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1804789637.pdb -s /var/tmp/to_scwrl_1804789637.seq -o /var/tmp/from_scwrl_1804789637.pdb > /var/tmp/scwrl_1804789637.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1804789637.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 T0318 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_801152857.pdb -s /var/tmp/to_scwrl_801152857.seq -o /var/tmp/from_scwrl_801152857.pdb > /var/tmp/scwrl_801152857.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_801152857.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS2-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_2074739136.pdb -s /var/tmp/to_scwrl_2074739136.seq -o /var/tmp/from_scwrl_2074739136.pdb > /var/tmp/scwrl_2074739136.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2074739136.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS3-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_470810522.pdb -s /var/tmp/to_scwrl_470810522.seq -o /var/tmp/from_scwrl_470810522.pdb > /var/tmp/scwrl_470810522.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_470810522.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS4-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_21263400.pdb -s /var/tmp/to_scwrl_21263400.seq -o /var/tmp/from_scwrl_21263400.pdb > /var/tmp/scwrl_21263400.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_21263400.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS5-scwrl # ReadConformPDB reading from PDB file servers/CPHmodels_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation CPHmodels_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_323703392.pdb -s /var/tmp/to_scwrl_323703392.seq -o /var/tmp/from_scwrl_323703392.pdb > /var/tmp/scwrl_323703392.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_323703392.pdb # conformation set from SCWRL output # naming current conformation CPHmodels_TS1-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1682005831.pdb -s /var/tmp/to_scwrl_1682005831.seq -o /var/tmp/from_scwrl_1682005831.pdb > /var/tmp/scwrl_1682005831.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1682005831.pdb # conformation set from SCWRL output # naming current conformation CaspIta-FOX_TS1-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_4052133.pdb -s /var/tmp/to_scwrl_4052133.seq -o /var/tmp/from_scwrl_4052133.pdb > /var/tmp/scwrl_4052133.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_4052133.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 T0318 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1712450172.pdb -s /var/tmp/to_scwrl_1712450172.seq -o /var/tmp/from_scwrl_1712450172.pdb > /var/tmp/scwrl_1712450172.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1712450172.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: atoms too close: (T0318)D318.C and (T0318)I319.N only 0.000 apart, marking (T0318)I319.N as missing WARNING: atoms too close: (T0318)I319.N and (T0318)I319.CA only 0.000 apart, marking (T0318)I319.CA as missing WARNING: atoms too close: (T0318)D318.C and (T0318)I319.CA only 0.000 apart, marking (T0318)I319.CA as missing WARNING: atoms too close: (T0318)I319.CA and (T0318)I319.CB only 0.000 apart, marking (T0318)I319.CB as missing WARNING: atoms too close: (T0318)I319.N and (T0318)I319.CB only 0.000 apart, marking (T0318)I319.CB as missing WARNING: atoms too close: (T0318)D318.C and (T0318)I319.CB only 0.000 apart, marking (T0318)I319.CB as missing WARNING: atoms too close: (T0318)I319.CB and (T0318)I319.CG1 only 0.000 apart, marking (T0318)I319.CG1 as missing WARNING: atoms too close: (T0318)I319.CA and (T0318)I319.CG1 only 0.000 apart, marking (T0318)I319.CG1 as missing WARNING: atoms too close: (T0318)I319.N and (T0318)I319.CG1 only 0.000 apart, marking (T0318)I319.CG1 as missing WARNING: atoms too close: (T0318)D318.C and (T0318)I319.CG1 only 0.000 apart, marking (T0318)I319.CG1 as missing WARNING: atoms too close: (T0318)I319.CG1 and (T0318)I319.CG2 only 0.000 apart, marking (T0318)I319.CG2 as missing WARNING: atoms too close: (T0318)I319.CB and (T0318)I319.CG2 only 0.000 apart, marking (T0318)I319.CG2 as missing WARNING: atoms too close: (T0318)I319.CA and (T0318)I319.CG2 only 0.000 apart, marking (T0318)I319.CG2 as missing WARNING: atoms too close: (T0318)I319.N and (T0318)I319.CG2 only 0.000 apart, marking (T0318)I319.CG2 as missing WARNING: atoms too close: (T0318)D318.C and (T0318)I319.CG2 only 0.000 apart, marking (T0318)I319.CG2 as missing WARNING: atoms too close: (T0318)I319.CG2 and (T0318)I319.CD1 only 0.000 apart, marking (T0318)I319.CD1 as missing WARNING: atoms too close: (T0318)I319.CG1 and (T0318)I319.CD1 only 0.000 apart, marking (T0318)I319.CD1 as missing WARNING: atoms too close: (T0318)I319.CB and (T0318)I319.CD1 only 0.000 apart, marking (T0318)I319.CD1 as missing WARNING: atoms too close: (T0318)I319.CA and (T0318)I319.CD1 only 0.000 apart, marking (T0318)I319.CD1 as missing WARNING: atoms too close: (T0318)I319.N and (T0318)I319.CD1 only 0.000 apart, marking (T0318)I319.CD1 as missing WARNING: atoms too close: (T0318)D318.C and (T0318)I319.CD1 only 0.000 apart, marking (T0318)I319.CD1 as missing WARNING: atoms too close: (T0318)I319.CD1 and (T0318)I319.O only 0.000 apart, marking (T0318)I319.O as missing WARNING: atoms too close: (T0318)I319.CG2 and (T0318)I319.O only 0.000 apart, marking (T0318)I319.O as missing WARNING: atoms too close: (T0318)I319.CG1 and (T0318)I319.O only 0.000 apart, marking (T0318)I319.O as missing WARNING: atoms too close: (T0318)I319.CB and (T0318)I319.O only 0.000 apart, marking (T0318)I319.O as missing WARNING: atoms too close: (T0318)I319.CA and (T0318)I319.O only 0.000 apart, marking (T0318)I319.O as missing WARNING: atoms too close: (T0318)I319.N and (T0318)I319.O only 0.000 apart, marking (T0318)I319.O as missing WARNING: atoms too close: (T0318)D318.C and (T0318)I319.O only 0.000 apart, marking (T0318)I319.O as missing WARNING: atoms too close: (T0318)I319.O and (T0318)I319.C only 0.000 apart, marking (T0318)I319.C as missing WARNING: atoms too close: (T0318)I319.CD1 and (T0318)I319.C only 0.000 apart, marking (T0318)I319.C as missing WARNING: atoms too close: (T0318)I319.CG2 and (T0318)I319.C only 0.000 apart, marking (T0318)I319.C as missing WARNING: atoms too close: (T0318)I319.CG1 and (T0318)I319.C only 0.000 apart, marking (T0318)I319.C as missing WARNING: atoms too close: (T0318)I319.CB and (T0318)I319.C only 0.000 apart, marking (T0318)I319.C as missing WARNING: atoms too close: (T0318)I319.CA and (T0318)I319.C only 0.000 apart, marking (T0318)I319.C as missing WARNING: atoms too close: (T0318)I319.N and (T0318)I319.C only 0.000 apart, marking (T0318)I319.C as missing WARNING: atoms too close: (T0318)D318.C and (T0318)I319.C only 0.000 apart, marking (T0318)I319.C as missing # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_119889872.pdb -s /var/tmp/to_scwrl_119889872.seq -o /var/tmp/from_scwrl_119889872.pdb > /var/tmp/scwrl_119889872.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_119889872.pdb # conformation set from SCWRL output # naming current conformation CaspIta-FOX_TS4-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1421227631.pdb -s /var/tmp/to_scwrl_1421227631.seq -o /var/tmp/from_scwrl_1421227631.pdb > /var/tmp/scwrl_1421227631.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1421227631.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 T0318 can't currently be optimized by undertaker # naming current conformation Distill_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_765662896.pdb -s /var/tmp/to_scwrl_765662896.seq -o /var/tmp/from_scwrl_765662896.pdb > /var/tmp/scwrl_765662896.log Error: Couldn't open file /var/tmp/from_scwrl_765662896.pdb or /var/tmp/from_scwrl_765662896.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_765662896_b.pdb or decoys//var/tmp/from_scwrl_765662896_b.pdb.gz for input Trying /var/tmp/from_scwrl_765662896_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_765662896_b.pdb or /var/tmp/from_scwrl_765662896_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_765662896_a.pdb or decoys//var/tmp/from_scwrl_765662896_a.pdb.gz for input Trying /var/tmp/from_scwrl_765662896_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_765662896_a.pdb or /var/tmp/from_scwrl_765662896_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_765662896.pdb or /var/tmp/from_scwrl_765662896_b.pdb or /var/tmp/from_scwrl_765662896_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 T0318 can't currently be optimized by undertaker # naming current conformation Distill_TS2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_375055471.pdb -s /var/tmp/to_scwrl_375055471.seq -o /var/tmp/from_scwrl_375055471.pdb > /var/tmp/scwrl_375055471.log Error: Couldn't open file /var/tmp/from_scwrl_375055471.pdb or /var/tmp/from_scwrl_375055471.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_375055471_b.pdb or decoys//var/tmp/from_scwrl_375055471_b.pdb.gz for input Trying /var/tmp/from_scwrl_375055471_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_375055471_b.pdb or /var/tmp/from_scwrl_375055471_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_375055471_a.pdb or decoys//var/tmp/from_scwrl_375055471_a.pdb.gz for input Trying /var/tmp/from_scwrl_375055471_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_375055471_a.pdb or /var/tmp/from_scwrl_375055471_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_375055471.pdb or /var/tmp/from_scwrl_375055471_b.pdb or /var/tmp/from_scwrl_375055471_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 T0318 can't currently be optimized by undertaker # naming current conformation Distill_TS3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1985252483.pdb -s /var/tmp/to_scwrl_1985252483.seq -o /var/tmp/from_scwrl_1985252483.pdb > /var/tmp/scwrl_1985252483.log Error: Couldn't open file /var/tmp/from_scwrl_1985252483.pdb or /var/tmp/from_scwrl_1985252483.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1985252483_b.pdb or decoys//var/tmp/from_scwrl_1985252483_b.pdb.gz for input Trying /var/tmp/from_scwrl_1985252483_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1985252483_b.pdb or /var/tmp/from_scwrl_1985252483_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1985252483_a.pdb or decoys//var/tmp/from_scwrl_1985252483_a.pdb.gz for input Trying /var/tmp/from_scwrl_1985252483_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1985252483_a.pdb or /var/tmp/from_scwrl_1985252483_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1985252483.pdb or /var/tmp/from_scwrl_1985252483_b.pdb or /var/tmp/from_scwrl_1985252483_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 T0318 can't currently be optimized by undertaker # naming current conformation Distill_TS4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_313817884.pdb -s /var/tmp/to_scwrl_313817884.seq -o /var/tmp/from_scwrl_313817884.pdb > /var/tmp/scwrl_313817884.log Error: Couldn't open file /var/tmp/from_scwrl_313817884.pdb or /var/tmp/from_scwrl_313817884.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_313817884_b.pdb or decoys//var/tmp/from_scwrl_313817884_b.pdb.gz for input Trying /var/tmp/from_scwrl_313817884_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_313817884_b.pdb or /var/tmp/from_scwrl_313817884_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_313817884_a.pdb or decoys//var/tmp/from_scwrl_313817884_a.pdb.gz for input Trying /var/tmp/from_scwrl_313817884_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_313817884_a.pdb or /var/tmp/from_scwrl_313817884_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_313817884.pdb or /var/tmp/from_scwrl_313817884_b.pdb or /var/tmp/from_scwrl_313817884_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 T0318 can't currently be optimized by undertaker # naming current conformation Distill_TS5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_873426494.pdb -s /var/tmp/to_scwrl_873426494.seq -o /var/tmp/from_scwrl_873426494.pdb > /var/tmp/scwrl_873426494.log Error: Couldn't open file /var/tmp/from_scwrl_873426494.pdb or /var/tmp/from_scwrl_873426494.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_873426494_b.pdb or decoys//var/tmp/from_scwrl_873426494_b.pdb.gz for input Trying /var/tmp/from_scwrl_873426494_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_873426494_b.pdb or /var/tmp/from_scwrl_873426494_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_873426494_a.pdb or decoys//var/tmp/from_scwrl_873426494_a.pdb.gz for input Trying /var/tmp/from_scwrl_873426494_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_873426494_a.pdb or /var/tmp/from_scwrl_873426494_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_873426494.pdb or /var/tmp/from_scwrl_873426494_b.pdb or /var/tmp/from_scwrl_873426494_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 490 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_665508525.pdb -s /var/tmp/to_scwrl_665508525.seq -o /var/tmp/from_scwrl_665508525.pdb > /var/tmp/scwrl_665508525.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_665508525.pdb # conformation set from SCWRL output # naming current conformation FAMSD_TS1-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation FAMSD_TS2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_502758643.pdb -s /var/tmp/to_scwrl_502758643.seq -o /var/tmp/from_scwrl_502758643.pdb > /var/tmp/scwrl_502758643.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_502758643.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 T0318 can't currently be optimized by undertaker # naming current conformation FAMSD_TS3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_383316682.pdb -s /var/tmp/to_scwrl_383316682.seq -o /var/tmp/from_scwrl_383316682.pdb > /var/tmp/scwrl_383316682.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_383316682.pdb # conformation set from SCWRL output # naming current conformation FAMSD_TS3-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation FAMSD_TS4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1164312736.pdb -s /var/tmp/to_scwrl_1164312736.seq -o /var/tmp/from_scwrl_1164312736.pdb > /var/tmp/scwrl_1164312736.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1164312736.pdb # conformation set from SCWRL output # naming current conformation FAMSD_TS4-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation FAMSD_TS5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1200720349.pdb -s /var/tmp/to_scwrl_1200720349.seq -o /var/tmp/from_scwrl_1200720349.pdb > /var/tmp/scwrl_1200720349.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1200720349.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 489 # copying to AlignedFragments data structure # naming current conformation FAMS_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1307527851.pdb -s /var/tmp/to_scwrl_1307527851.seq -o /var/tmp/from_scwrl_1307527851.pdb > /var/tmp/scwrl_1307527851.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1307527851.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS1-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FAMS_TS2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_2029767040.pdb -s /var/tmp/to_scwrl_2029767040.seq -o /var/tmp/from_scwrl_2029767040.pdb > /var/tmp/scwrl_2029767040.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2029767040.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 T0318 can't currently be optimized by undertaker # naming current conformation FAMS_TS3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1030827512.pdb -s /var/tmp/to_scwrl_1030827512.seq -o /var/tmp/from_scwrl_1030827512.pdb > /var/tmp/scwrl_1030827512.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1030827512.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 487 # copying to AlignedFragments data structure # naming current conformation FAMS_TS4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_890874123.pdb -s /var/tmp/to_scwrl_890874123.seq -o /var/tmp/from_scwrl_890874123.pdb > /var/tmp/scwrl_890874123.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_890874123.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 T0318 can't currently be optimized by undertaker # naming current conformation FAMS_TS5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_503398553.pdb -s /var/tmp/to_scwrl_503398553.seq -o /var/tmp/from_scwrl_503398553.pdb > /var/tmp/scwrl_503398553.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_503398553.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 471 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_737519582.pdb -s /var/tmp/to_scwrl_737519582.seq -o /var/tmp/from_scwrl_737519582.pdb > /var/tmp/scwrl_737519582.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_737519582.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 471 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_2052411987.pdb -s /var/tmp/to_scwrl_2052411987.seq -o /var/tmp/from_scwrl_2052411987.pdb > /var/tmp/scwrl_2052411987.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2052411987.pdb # conformation set from SCWRL output # naming current conformation FOLDpro_TS2-scwrl # ReadConformPDB reading from PDB file servers/FOLDpro_TS3.pdb.gz looking for model 1 # Found a chain break before 471 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_982432505.pdb -s /var/tmp/to_scwrl_982432505.seq -o /var/tmp/from_scwrl_982432505.pdb > /var/tmp/scwrl_982432505.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_982432505.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 472 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1645011266.pdb -s /var/tmp/to_scwrl_1645011266.seq -o /var/tmp/from_scwrl_1645011266.pdb > /var/tmp/scwrl_1645011266.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1645011266.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 471 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_408512224.pdb -s /var/tmp/to_scwrl_408512224.seq -o /var/tmp/from_scwrl_408512224.pdb > /var/tmp/scwrl_408512224.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_408512224.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 T0318 can't currently be optimized by undertaker # naming current conformation FORTE1_AL1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_639738496.pdb -s /var/tmp/to_scwrl_639738496.seq -o /var/tmp/from_scwrl_639738496.pdb > /var/tmp/scwrl_639738496.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_639738496.pdb # conformation set from SCWRL output # naming current conformation FORTE1_AL1-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation FORTE1_AL2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_298680476.pdb -s /var/tmp/to_scwrl_298680476.seq -o /var/tmp/from_scwrl_298680476.pdb > /var/tmp/scwrl_298680476.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_298680476.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 T0318 can't currently be optimized by undertaker # naming current conformation FORTE1_AL3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_335767714.pdb -s /var/tmp/to_scwrl_335767714.seq -o /var/tmp/from_scwrl_335767714.pdb > /var/tmp/scwrl_335767714.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_335767714.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 T0318 can't currently be optimized by undertaker # naming current conformation FORTE1_AL4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1110549017.pdb -s /var/tmp/to_scwrl_1110549017.seq -o /var/tmp/from_scwrl_1110549017.pdb > /var/tmp/scwrl_1110549017.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1110549017.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 T0318 can't currently be optimized by undertaker # naming current conformation FORTE1_AL5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_319943877.pdb -s /var/tmp/to_scwrl_319943877.seq -o /var/tmp/from_scwrl_319943877.pdb > /var/tmp/scwrl_319943877.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_319943877.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 T0318 can't currently be optimized by undertaker # naming current conformation FORTE2_AL1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_659471106.pdb -s /var/tmp/to_scwrl_659471106.seq -o /var/tmp/from_scwrl_659471106.pdb > /var/tmp/scwrl_659471106.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_659471106.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 T0318 can't currently be optimized by undertaker # naming current conformation FORTE2_AL2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_645071202.pdb -s /var/tmp/to_scwrl_645071202.seq -o /var/tmp/from_scwrl_645071202.pdb > /var/tmp/scwrl_645071202.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_645071202.pdb # conformation set from SCWRL output # naming current conformation FORTE2_AL2-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation FORTE2_AL3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_323996010.pdb -s /var/tmp/to_scwrl_323996010.seq -o /var/tmp/from_scwrl_323996010.pdb > /var/tmp/scwrl_323996010.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_323996010.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 T0318 can't currently be optimized by undertaker # naming current conformation FORTE2_AL4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_224437632.pdb -s /var/tmp/to_scwrl_224437632.seq -o /var/tmp/from_scwrl_224437632.pdb > /var/tmp/scwrl_224437632.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_224437632.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 T0318 can't currently be optimized by undertaker # naming current conformation FORTE2_AL5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_764961075.pdb -s /var/tmp/to_scwrl_764961075.seq -o /var/tmp/from_scwrl_764961075.pdb > /var/tmp/scwrl_764961075.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_764961075.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 487 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1745223641.pdb -s /var/tmp/to_scwrl_1745223641.seq -o /var/tmp/from_scwrl_1745223641.pdb > /var/tmp/scwrl_1745223641.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1745223641.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 484 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_990100528.pdb -s /var/tmp/to_scwrl_990100528.seq -o /var/tmp/from_scwrl_990100528.pdb > /var/tmp/scwrl_990100528.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_990100528.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 490 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1140016545.pdb -s /var/tmp/to_scwrl_1140016545.seq -o /var/tmp/from_scwrl_1140016545.pdb > /var/tmp/scwrl_1140016545.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1140016545.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 490 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1582992477.pdb -s /var/tmp/to_scwrl_1582992477.seq -o /var/tmp/from_scwrl_1582992477.pdb > /var/tmp/scwrl_1582992477.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1582992477.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 490 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1303918411.pdb -s /var/tmp/to_scwrl_1303918411.seq -o /var/tmp/from_scwrl_1303918411.pdb > /var/tmp/scwrl_1303918411.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1303918411.pdb # conformation set from SCWRL output # naming current conformation FPSOLVER-SERVER_TS5-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_2013443039.pdb -s /var/tmp/to_scwrl_2013443039.seq -o /var/tmp/from_scwrl_2013443039.pdb > /var/tmp/scwrl_2013443039.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2013443039.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS1-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_101017355.pdb -s /var/tmp/to_scwrl_101017355.seq -o /var/tmp/from_scwrl_101017355.pdb > /var/tmp/scwrl_101017355.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_101017355.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS2-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1806677054.pdb -s /var/tmp/to_scwrl_1806677054.seq -o /var/tmp/from_scwrl_1806677054.pdb > /var/tmp/scwrl_1806677054.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1806677054.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS3-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_249276075.pdb -s /var/tmp/to_scwrl_249276075.seq -o /var/tmp/from_scwrl_249276075.pdb > /var/tmp/scwrl_249276075.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_249276075.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS4-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1265330092.pdb -s /var/tmp/to_scwrl_1265330092.seq -o /var/tmp/from_scwrl_1265330092.pdb > /var/tmp/scwrl_1265330092.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1265330092.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 T0318 can't currently be optimized by undertaker # naming current conformation FUGUE_AL1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_859913757.pdb -s /var/tmp/to_scwrl_859913757.seq -o /var/tmp/from_scwrl_859913757.pdb > /var/tmp/scwrl_859913757.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_859913757.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 T0318 can't currently be optimized by undertaker # naming current conformation FUGUE_AL2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1556803926.pdb -s /var/tmp/to_scwrl_1556803926.seq -o /var/tmp/from_scwrl_1556803926.pdb > /var/tmp/scwrl_1556803926.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1556803926.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 T0318 can't currently be optimized by undertaker # naming current conformation FUGUE_AL3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1147613485.pdb -s /var/tmp/to_scwrl_1147613485.seq -o /var/tmp/from_scwrl_1147613485.pdb > /var/tmp/scwrl_1147613485.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1147613485.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 T0318 can't currently be optimized by undertaker # naming current conformation FUGUE_AL4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1890741268.pdb -s /var/tmp/to_scwrl_1890741268.seq -o /var/tmp/from_scwrl_1890741268.pdb > /var/tmp/scwrl_1890741268.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1890741268.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 T0318 can't currently be optimized by undertaker # naming current conformation FUGUE_AL5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_300194402.pdb -s /var/tmp/to_scwrl_300194402.seq -o /var/tmp/from_scwrl_300194402.pdb > /var/tmp/scwrl_300194402.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_300194402.pdb # conformation set from SCWRL output # naming current conformation FUGUE_AL5-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS1.pdb.gz looking for model 1 # Found a chain break before 487 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1651012038.pdb -s /var/tmp/to_scwrl_1651012038.seq -o /var/tmp/from_scwrl_1651012038.pdb > /var/tmp/scwrl_1651012038.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1651012038.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 490 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_480777203.pdb -s /var/tmp/to_scwrl_480777203.seq -o /var/tmp/from_scwrl_480777203.pdb > /var/tmp/scwrl_480777203.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_480777203.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 487 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_205122742.pdb -s /var/tmp/to_scwrl_205122742.seq -o /var/tmp/from_scwrl_205122742.pdb > /var/tmp/scwrl_205122742.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_205122742.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 486 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_485960896.pdb -s /var/tmp/to_scwrl_485960896.seq -o /var/tmp/from_scwrl_485960896.pdb > /var/tmp/scwrl_485960896.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_485960896.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 487 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_2125788469.pdb -s /var/tmp/to_scwrl_2125788469.seq -o /var/tmp/from_scwrl_2125788469.pdb > /var/tmp/scwrl_2125788469.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2125788469.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS5-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_613634967.pdb -s /var/tmp/to_scwrl_613634967.seq -o /var/tmp/from_scwrl_613634967.pdb > /var/tmp/scwrl_613634967.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_613634967.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS1-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1125699391.pdb -s /var/tmp/to_scwrl_1125699391.seq -o /var/tmp/from_scwrl_1125699391.pdb > /var/tmp/scwrl_1125699391.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1125699391.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS2-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS3.pdb.gz looking for model 1 # Found a chain break before 471 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_276985299.pdb -s /var/tmp/to_scwrl_276985299.seq -o /var/tmp/from_scwrl_276985299.pdb > /var/tmp/scwrl_276985299.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_276985299.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 T0318 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_949402681.pdb -s /var/tmp/to_scwrl_949402681.seq -o /var/tmp/from_scwrl_949402681.pdb > /var/tmp/scwrl_949402681.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_949402681.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS4-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS5.pdb.gz looking for model 1 # Found a chain break before 485 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_88764762.pdb -s /var/tmp/to_scwrl_88764762.seq -o /var/tmp/from_scwrl_88764762.pdb > /var/tmp/scwrl_88764762.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_88764762.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 480 # copying to AlignedFragments data structure # naming current conformation HHpred1_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_596929176.pdb -s /var/tmp/to_scwrl_596929176.seq -o /var/tmp/from_scwrl_596929176.pdb > /var/tmp/scwrl_596929176.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_596929176.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 471 # copying to AlignedFragments data structure # naming current conformation HHpred2_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1608873786.pdb -s /var/tmp/to_scwrl_1608873786.seq -o /var/tmp/from_scwrl_1608873786.pdb > /var/tmp/scwrl_1608873786.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1608873786.pdb # conformation set from SCWRL output # naming current conformation HHpred2_TS1-scwrl # ReadConformPDB reading from PDB file servers/HHpred3_TS1.pdb.gz looking for model 1 # Found a chain break before 482 # copying to AlignedFragments data structure # naming current conformation HHpred3_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_733835965.pdb -s /var/tmp/to_scwrl_733835965.seq -o /var/tmp/from_scwrl_733835965.pdb > /var/tmp/scwrl_733835965.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_733835965.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 T0318 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_920925186.pdb -s /var/tmp/to_scwrl_920925186.seq -o /var/tmp/from_scwrl_920925186.pdb > /var/tmp/scwrl_920925186.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_920925186.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 T0318 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1833311418.pdb -s /var/tmp/to_scwrl_1833311418.seq -o /var/tmp/from_scwrl_1833311418.pdb > /var/tmp/scwrl_1833311418.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1833311418.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 T0318 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1498797039.pdb -s /var/tmp/to_scwrl_1498797039.seq -o /var/tmp/from_scwrl_1498797039.pdb > /var/tmp/scwrl_1498797039.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1498797039.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 T0318 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_518665180.pdb -s /var/tmp/to_scwrl_518665180.seq -o /var/tmp/from_scwrl_518665180.pdb > /var/tmp/scwrl_518665180.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_518665180.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 T0318 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_675928299.pdb -s /var/tmp/to_scwrl_675928299.seq -o /var/tmp/from_scwrl_675928299.pdb > /var/tmp/scwrl_675928299.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_675928299.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 T0318 can't currently be optimized by undertaker # naming current conformation LOOPP_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_491329938.pdb -s /var/tmp/to_scwrl_491329938.seq -o /var/tmp/from_scwrl_491329938.pdb > /var/tmp/scwrl_491329938.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_491329938.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 T0318 can't currently be optimized by undertaker # naming current conformation LOOPP_TS2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_2101657657.pdb -s /var/tmp/to_scwrl_2101657657.seq -o /var/tmp/from_scwrl_2101657657.pdb > /var/tmp/scwrl_2101657657.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2101657657.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 T0318 can't currently be optimized by undertaker # naming current conformation LOOPP_TS3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1979846710.pdb -s /var/tmp/to_scwrl_1979846710.seq -o /var/tmp/from_scwrl_1979846710.pdb > /var/tmp/scwrl_1979846710.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1979846710.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 T0318 can't currently be optimized by undertaker # naming current conformation LOOPP_TS4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_357289330.pdb -s /var/tmp/to_scwrl_357289330.seq -o /var/tmp/from_scwrl_357289330.pdb > /var/tmp/scwrl_357289330.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_357289330.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 T0318 can't currently be optimized by undertaker # naming current conformation LOOPP_TS5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_55191365.pdb -s /var/tmp/to_scwrl_55191365.seq -o /var/tmp/from_scwrl_55191365.pdb > /var/tmp/scwrl_55191365.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_55191365.pdb # conformation set from SCWRL output # naming current conformation LOOPP_TS5-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS1.pdb.gz looking for model 1 # Found a chain break before 489 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1639040117.pdb -s /var/tmp/to_scwrl_1639040117.seq -o /var/tmp/from_scwrl_1639040117.pdb > /var/tmp/scwrl_1639040117.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1639040117.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 471 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_606565405.pdb -s /var/tmp/to_scwrl_606565405.seq -o /var/tmp/from_scwrl_606565405.pdb > /var/tmp/scwrl_606565405.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_606565405.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 482 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1320521457.pdb -s /var/tmp/to_scwrl_1320521457.seq -o /var/tmp/from_scwrl_1320521457.pdb > /var/tmp/scwrl_1320521457.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1320521457.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 488 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_351470227.pdb -s /var/tmp/to_scwrl_351470227.seq -o /var/tmp/from_scwrl_351470227.pdb > /var/tmp/scwrl_351470227.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_351470227.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server_TS4-scwrl # ReadConformPDB reading from PDB file servers/MetaTasser_TS1.pdb.gz looking for model 1 # Found a chain break before 490 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_15885685.pdb -s /var/tmp/to_scwrl_15885685.seq -o /var/tmp/from_scwrl_15885685.pdb > /var/tmp/scwrl_15885685.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_15885685.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 490 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_320651296.pdb -s /var/tmp/to_scwrl_320651296.seq -o /var/tmp/from_scwrl_320651296.pdb > /var/tmp/scwrl_320651296.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_320651296.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 490 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_94727849.pdb -s /var/tmp/to_scwrl_94727849.seq -o /var/tmp/from_scwrl_94727849.pdb > /var/tmp/scwrl_94727849.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_94727849.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 490 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_316080087.pdb -s /var/tmp/to_scwrl_316080087.seq -o /var/tmp/from_scwrl_316080087.pdb > /var/tmp/scwrl_316080087.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_316080087.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 490 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1971663334.pdb -s /var/tmp/to_scwrl_1971663334.seq -o /var/tmp/from_scwrl_1971663334.pdb > /var/tmp/scwrl_1971663334.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1971663334.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 T0318 can't currently be optimized by undertaker # naming current conformation NN_PUT_lab_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_575505052.pdb -s /var/tmp/to_scwrl_575505052.seq -o /var/tmp/from_scwrl_575505052.pdb > /var/tmp/scwrl_575505052.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_575505052.pdb # conformation set from SCWRL output # naming current conformation NN_PUT_lab_TS1-scwrl # ReadConformPDB reading from PDB file servers/POMYSL_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation POMYSL_TS2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_521202830.pdb -s /var/tmp/to_scwrl_521202830.seq -o /var/tmp/from_scwrl_521202830.pdb > /var/tmp/scwrl_521202830.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_521202830.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 WARNING: atom 1 has residue number 77 < previous residue 491 in servers/POMYSL_TS3.pdb.gz # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation POMYSL_TS3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_310140584.pdb -s /var/tmp/to_scwrl_310140584.seq -o /var/tmp/from_scwrl_310140584.pdb > /var/tmp/scwrl_310140584.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_310140584.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 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation POMYSL_TS4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_553809875.pdb -s /var/tmp/to_scwrl_553809875.seq -o /var/tmp/from_scwrl_553809875.pdb > /var/tmp/scwrl_553809875.log Error: Couldn't open file /var/tmp/from_scwrl_553809875.pdb or /var/tmp/from_scwrl_553809875.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_553809875_b.pdb or decoys//var/tmp/from_scwrl_553809875_b.pdb.gz for input Trying /var/tmp/from_scwrl_553809875_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_553809875_b.pdb or /var/tmp/from_scwrl_553809875_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_553809875_a.pdb or decoys//var/tmp/from_scwrl_553809875_a.pdb.gz for input Trying /var/tmp/from_scwrl_553809875_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_553809875_a.pdb or /var/tmp/from_scwrl_553809875_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_553809875.pdb or /var/tmp/from_scwrl_553809875_b.pdb or /var/tmp/from_scwrl_553809875_a.pdb Error: no new SCWRL conformation added # naming current conformation POMYSL_TS4-scwrl # ReadConformPDB reading from PDB file servers/POMYSL_TS5.pdb.gz looking for model 1 WARNING: atom 1 has residue number 77 < previous residue 491 in servers/POMYSL_TS5.pdb.gz # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation POMYSL_TS5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1134837796.pdb -s /var/tmp/to_scwrl_1134837796.seq -o /var/tmp/from_scwrl_1134837796.pdb > /var/tmp/scwrl_1134837796.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1134837796.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 442 ; scwrl3 -i /var/tmp/to_scwrl_1435839975.pdb -s /var/tmp/to_scwrl_1435839975.seq -o /var/tmp/from_scwrl_1435839975.pdb > /var/tmp/scwrl_1435839975.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1435839975.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 442 ; scwrl3 -i /var/tmp/to_scwrl_830795174.pdb -s /var/tmp/to_scwrl_830795174.seq -o /var/tmp/from_scwrl_830795174.pdb > /var/tmp/scwrl_830795174.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_830795174.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 442 ; scwrl3 -i /var/tmp/to_scwrl_2084240477.pdb -s /var/tmp/to_scwrl_2084240477.seq -o /var/tmp/from_scwrl_2084240477.pdb > /var/tmp/scwrl_2084240477.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2084240477.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 442 ; scwrl3 -i /var/tmp/to_scwrl_1524604738.pdb -s /var/tmp/to_scwrl_1524604738.seq -o /var/tmp/from_scwrl_1524604738.pdb > /var/tmp/scwrl_1524604738.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1524604738.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 442 ; scwrl3 -i /var/tmp/to_scwrl_1427724349.pdb -s /var/tmp/to_scwrl_1427724349.seq -o /var/tmp/from_scwrl_1427724349.pdb > /var/tmp/scwrl_1427724349.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1427724349.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 472 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1545630616.pdb -s /var/tmp/to_scwrl_1545630616.seq -o /var/tmp/from_scwrl_1545630616.pdb > /var/tmp/scwrl_1545630616.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1545630616.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS1-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS2.pdb.gz looking for model 1 # Found a chain break before 488 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_110957056.pdb -s /var/tmp/to_scwrl_110957056.seq -o /var/tmp/from_scwrl_110957056.pdb > /var/tmp/scwrl_110957056.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_110957056.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 484 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_201165888.pdb -s /var/tmp/to_scwrl_201165888.seq -o /var/tmp/from_scwrl_201165888.pdb > /var/tmp/scwrl_201165888.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_201165888.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 472 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1231458388.pdb -s /var/tmp/to_scwrl_1231458388.seq -o /var/tmp/from_scwrl_1231458388.pdb > /var/tmp/scwrl_1231458388.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1231458388.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 # Found a chain break before 486 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1609754095.pdb -s /var/tmp/to_scwrl_1609754095.seq -o /var/tmp/from_scwrl_1609754095.pdb > /var/tmp/scwrl_1609754095.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1609754095.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 T0318 can't currently be optimized by undertaker # naming current conformation Pcons6_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_719831068.pdb -s /var/tmp/to_scwrl_719831068.seq -o /var/tmp/from_scwrl_719831068.pdb > /var/tmp/scwrl_719831068.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_719831068.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 T0318 can't currently be optimized by undertaker # naming current conformation Pcons6_TS2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1907386687.pdb -s /var/tmp/to_scwrl_1907386687.seq -o /var/tmp/from_scwrl_1907386687.pdb > /var/tmp/scwrl_1907386687.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1907386687.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 T0318 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Pcons6_TS3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_2101084033.pdb -s /var/tmp/to_scwrl_2101084033.seq -o /var/tmp/from_scwrl_2101084033.pdb > /var/tmp/scwrl_2101084033.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2101084033.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 T0318 can't currently be optimized by undertaker # naming current conformation Pcons6_TS4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_674005078.pdb -s /var/tmp/to_scwrl_674005078.seq -o /var/tmp/from_scwrl_674005078.pdb > /var/tmp/scwrl_674005078.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_674005078.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 T0318 can't currently be optimized by undertaker # naming current conformation Pcons6_TS5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1739749751.pdb -s /var/tmp/to_scwrl_1739749751.seq -o /var/tmp/from_scwrl_1739749751.pdb > /var/tmp/scwrl_1739749751.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1739749751.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 T0318 can't currently be optimized by undertaker # naming current conformation Phyre-1_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_310889716.pdb -s /var/tmp/to_scwrl_310889716.seq -o /var/tmp/from_scwrl_310889716.pdb > /var/tmp/scwrl_310889716.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_310889716.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 486 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_729196443.pdb -s /var/tmp/to_scwrl_729196443.seq -o /var/tmp/from_scwrl_729196443.pdb > /var/tmp/scwrl_729196443.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_729196443.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 489 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1231306221.pdb -s /var/tmp/to_scwrl_1231306221.seq -o /var/tmp/from_scwrl_1231306221.pdb > /var/tmp/scwrl_1231306221.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1231306221.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS2-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation Phyre-2_TS3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_917455122.pdb -s /var/tmp/to_scwrl_917455122.seq -o /var/tmp/from_scwrl_917455122.pdb > /var/tmp/scwrl_917455122.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_917455122.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS3-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation Phyre-2_TS4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_2049717901.pdb -s /var/tmp/to_scwrl_2049717901.seq -o /var/tmp/from_scwrl_2049717901.pdb > /var/tmp/scwrl_2049717901.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2049717901.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 485 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1582776449.pdb -s /var/tmp/to_scwrl_1582776449.seq -o /var/tmp/from_scwrl_1582776449.pdb > /var/tmp/scwrl_1582776449.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1582776449.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 T0318 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_933340807.pdb -s /var/tmp/to_scwrl_933340807.seq -o /var/tmp/from_scwrl_933340807.pdb > /var/tmp/scwrl_933340807.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_933340807.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS1-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS2.pdb.gz looking for model 1 # Found a chain break before 471 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_222885550.pdb -s /var/tmp/to_scwrl_222885550.seq -o /var/tmp/from_scwrl_222885550.pdb > /var/tmp/scwrl_222885550.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_222885550.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 T0318 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1677504298.pdb -s /var/tmp/to_scwrl_1677504298.seq -o /var/tmp/from_scwrl_1677504298.pdb > /var/tmp/scwrl_1677504298.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1677504298.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS3-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS4.pdb.gz looking for model 1 # Found a chain break before 471 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1249420893.pdb -s /var/tmp/to_scwrl_1249420893.seq -o /var/tmp/from_scwrl_1249420893.pdb > /var/tmp/scwrl_1249420893.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1249420893.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS4-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_47065238.pdb -s /var/tmp/to_scwrl_47065238.seq -o /var/tmp/from_scwrl_47065238.pdb > /var/tmp/scwrl_47065238.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_47065238.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 471 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_105525703.pdb -s /var/tmp/to_scwrl_105525703.seq -o /var/tmp/from_scwrl_105525703.pdb > /var/tmp/scwrl_105525703.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_105525703.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 471 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1770623723.pdb -s /var/tmp/to_scwrl_1770623723.seq -o /var/tmp/from_scwrl_1770623723.pdb > /var/tmp/scwrl_1770623723.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1770623723.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 490 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_357205822.pdb -s /var/tmp/to_scwrl_357205822.seq -o /var/tmp/from_scwrl_357205822.pdb > /var/tmp/scwrl_357205822.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_357205822.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 487 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_659335578.pdb -s /var/tmp/to_scwrl_659335578.seq -o /var/tmp/from_scwrl_659335578.pdb > /var/tmp/scwrl_659335578.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_659335578.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 471 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_757977873.pdb -s /var/tmp/to_scwrl_757977873.seq -o /var/tmp/from_scwrl_757977873.pdb > /var/tmp/scwrl_757977873.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_757977873.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 489 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1793045797.pdb -s /var/tmp/to_scwrl_1793045797.seq -o /var/tmp/from_scwrl_1793045797.pdb > /var/tmp/scwrl_1793045797.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1793045797.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 486 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1490130751.pdb -s /var/tmp/to_scwrl_1490130751.seq -o /var/tmp/from_scwrl_1490130751.pdb > /var/tmp/scwrl_1490130751.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1490130751.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 486 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_694734703.pdb -s /var/tmp/to_scwrl_694734703.seq -o /var/tmp/from_scwrl_694734703.pdb > /var/tmp/scwrl_694734703.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_694734703.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 488 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1170166888.pdb -s /var/tmp/to_scwrl_1170166888.seq -o /var/tmp/from_scwrl_1170166888.pdb > /var/tmp/scwrl_1170166888.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1170166888.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 486 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_770371454.pdb -s /var/tmp/to_scwrl_770371454.seq -o /var/tmp/from_scwrl_770371454.pdb > /var/tmp/scwrl_770371454.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_770371454.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 471 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_92881673.pdb -s /var/tmp/to_scwrl_92881673.seq -o /var/tmp/from_scwrl_92881673.pdb > /var/tmp/scwrl_92881673.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_92881673.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 485 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1281123944.pdb -s /var/tmp/to_scwrl_1281123944.seq -o /var/tmp/from_scwrl_1281123944.pdb > /var/tmp/scwrl_1281123944.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1281123944.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 471 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_971537342.pdb -s /var/tmp/to_scwrl_971537342.seq -o /var/tmp/from_scwrl_971537342.pdb > /var/tmp/scwrl_971537342.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_971537342.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 471 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1324340061.pdb -s /var/tmp/to_scwrl_1324340061.seq -o /var/tmp/from_scwrl_1324340061.pdb > /var/tmp/scwrl_1324340061.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1324340061.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 483 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_743394393.pdb -s /var/tmp/to_scwrl_743394393.seq -o /var/tmp/from_scwrl_743394393.pdb > /var/tmp/scwrl_743394393.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_743394393.pdb # conformation set from SCWRL output # naming current conformation RAPTOR_TS5-scwrl # ReadConformPDB reading from PDB file servers/ROBETTA_TS1.pdb.gz looking for model 1 # Found a chain break before 469 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1691368409.pdb -s /var/tmp/to_scwrl_1691368409.seq -o /var/tmp/from_scwrl_1691368409.pdb > /var/tmp/scwrl_1691368409.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1691368409.pdb # conformation set from SCWRL output # naming current conformation ROBETTA_TS1-scwrl # ReadConformPDB reading from PDB file servers/ROBETTA_TS2.pdb.gz looking for model 1 # Found a chain break before 465 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1084243101.pdb -s /var/tmp/to_scwrl_1084243101.seq -o /var/tmp/from_scwrl_1084243101.pdb > /var/tmp/scwrl_1084243101.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1084243101.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 471 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_696994779.pdb -s /var/tmp/to_scwrl_696994779.seq -o /var/tmp/from_scwrl_696994779.pdb > /var/tmp/scwrl_696994779.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_696994779.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 471 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_217889840.pdb -s /var/tmp/to_scwrl_217889840.seq -o /var/tmp/from_scwrl_217889840.pdb > /var/tmp/scwrl_217889840.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_217889840.pdb # conformation set from SCWRL output # naming current conformation ROBETTA_TS4-scwrl # ReadConformPDB reading from PDB file servers/ROBETTA_TS5.pdb.gz looking for model 1 # Found a chain break before 471 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_676509206.pdb -s /var/tmp/to_scwrl_676509206.seq -o /var/tmp/from_scwrl_676509206.pdb > /var/tmp/scwrl_676509206.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_676509206.pdb # conformation set from SCWRL output # naming current conformation ROBETTA_TS5-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS1.pdb.gz looking for model 1 # Found a chain break before 471 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1007884496.pdb -s /var/tmp/to_scwrl_1007884496.seq -o /var/tmp/from_scwrl_1007884496.pdb > /var/tmp/scwrl_1007884496.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1007884496.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS1-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS2.pdb.gz looking for model 1 # Found a chain break before 486 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_947086284.pdb -s /var/tmp/to_scwrl_947086284.seq -o /var/tmp/from_scwrl_947086284.pdb > /var/tmp/scwrl_947086284.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_947086284.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS2-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS3.pdb.gz looking for model 1 # Found a chain break before 471 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1907815428.pdb -s /var/tmp/to_scwrl_1907815428.seq -o /var/tmp/from_scwrl_1907815428.pdb > /var/tmp/scwrl_1907815428.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1907815428.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS3-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS4.pdb.gz looking for model 1 # Found a chain break before 471 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1925339617.pdb -s /var/tmp/to_scwrl_1925339617.seq -o /var/tmp/from_scwrl_1925339617.pdb > /var/tmp/scwrl_1925339617.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1925339617.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS4-scwrl # ReadConformPDB reading from PDB file servers/SAM-T02_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_849320538.pdb -s /var/tmp/to_scwrl_849320538.seq -o /var/tmp/from_scwrl_849320538.pdb > /var/tmp/scwrl_849320538.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_849320538.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 T0318 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1343108230.pdb -s /var/tmp/to_scwrl_1343108230.seq -o /var/tmp/from_scwrl_1343108230.pdb > /var/tmp/scwrl_1343108230.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1343108230.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 T0318 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_711196777.pdb -s /var/tmp/to_scwrl_711196777.seq -o /var/tmp/from_scwrl_711196777.pdb > /var/tmp/scwrl_711196777.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_711196777.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 Skipped atom 38, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 40, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 42, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 44, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 90, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 92, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 94, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 96, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 778, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 780, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 782, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 784, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 1158, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 1160, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 1162, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 1164, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 1462, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 1464, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 1466, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 1468, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 1538, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 1540, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 1542, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 1544, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1072206088.pdb -s /var/tmp/to_scwrl_1072206088.seq -o /var/tmp/from_scwrl_1072206088.pdb > /var/tmp/scwrl_1072206088.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1072206088.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 T0318 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_873128882.pdb -s /var/tmp/to_scwrl_873128882.seq -o /var/tmp/from_scwrl_873128882.pdb > /var/tmp/scwrl_873128882.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_873128882.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 T0318 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1960617670.pdb -s /var/tmp/to_scwrl_1960617670.seq -o /var/tmp/from_scwrl_1960617670.pdb > /var/tmp/scwrl_1960617670.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1960617670.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL1-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1119271325.pdb -s /var/tmp/to_scwrl_1119271325.seq -o /var/tmp/from_scwrl_1119271325.pdb > /var/tmp/scwrl_1119271325.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1119271325.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL2-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_978654585.pdb -s /var/tmp/to_scwrl_978654585.seq -o /var/tmp/from_scwrl_978654585.pdb > /var/tmp/scwrl_978654585.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_978654585.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL3-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1583757747.pdb -s /var/tmp/to_scwrl_1583757747.seq -o /var/tmp/from_scwrl_1583757747.pdb > /var/tmp/scwrl_1583757747.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1583757747.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL4-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1476477147.pdb -s /var/tmp/to_scwrl_1476477147.seq -o /var/tmp/from_scwrl_1476477147.pdb > /var/tmp/scwrl_1476477147.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1476477147.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL5-scwrl # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS1.pdb.gz looking for model 1 # Found a chain break before 478 # copying to AlignedFragments data structure # naming current conformation SAM_T06_server_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1637990163.pdb -s /var/tmp/to_scwrl_1637990163.seq -o /var/tmp/from_scwrl_1637990163.pdb > /var/tmp/scwrl_1637990163.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1637990163.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 T0318 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_194251973.pdb -s /var/tmp/to_scwrl_194251973.seq -o /var/tmp/from_scwrl_194251973.pdb > /var/tmp/scwrl_194251973.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_194251973.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 T0318 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1122039298.pdb -s /var/tmp/to_scwrl_1122039298.seq -o /var/tmp/from_scwrl_1122039298.pdb > /var/tmp/scwrl_1122039298.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1122039298.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 T0318 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_980637268.pdb -s /var/tmp/to_scwrl_980637268.seq -o /var/tmp/from_scwrl_980637268.pdb > /var/tmp/scwrl_980637268.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_980637268.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 T0318 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_888986677.pdb -s /var/tmp/to_scwrl_888986677.seq -o /var/tmp/from_scwrl_888986677.pdb > /var/tmp/scwrl_888986677.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_888986677.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 487 # copying to AlignedFragments data structure # naming current conformation SP3_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_144722540.pdb -s /var/tmp/to_scwrl_144722540.seq -o /var/tmp/from_scwrl_144722540.pdb > /var/tmp/scwrl_144722540.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_144722540.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 471 # copying to AlignedFragments data structure # naming current conformation SP3_TS2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1751008722.pdb -s /var/tmp/to_scwrl_1751008722.seq -o /var/tmp/from_scwrl_1751008722.pdb > /var/tmp/scwrl_1751008722.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1751008722.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 471 # copying to AlignedFragments data structure # naming current conformation SP3_TS3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_981868350.pdb -s /var/tmp/to_scwrl_981868350.seq -o /var/tmp/from_scwrl_981868350.pdb > /var/tmp/scwrl_981868350.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_981868350.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 392 # copying to AlignedFragments data structure # naming current conformation SP3_TS4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1425846485.pdb -s /var/tmp/to_scwrl_1425846485.seq -o /var/tmp/from_scwrl_1425846485.pdb > /var/tmp/scwrl_1425846485.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1425846485.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 382 # copying to AlignedFragments data structure # naming current conformation SP3_TS5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_575062417.pdb -s /var/tmp/to_scwrl_575062417.seq -o /var/tmp/from_scwrl_575062417.pdb > /var/tmp/scwrl_575062417.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_575062417.pdb # conformation set from SCWRL output # naming current conformation SP3_TS5-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS1.pdb.gz looking for model 1 # Found a chain break before 471 # copying to AlignedFragments data structure # naming current conformation SP4_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_158724764.pdb -s /var/tmp/to_scwrl_158724764.seq -o /var/tmp/from_scwrl_158724764.pdb > /var/tmp/scwrl_158724764.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_158724764.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 471 # copying to AlignedFragments data structure # naming current conformation SP4_TS2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_21757231.pdb -s /var/tmp/to_scwrl_21757231.seq -o /var/tmp/from_scwrl_21757231.pdb > /var/tmp/scwrl_21757231.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_21757231.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 471 # copying to AlignedFragments data structure # naming current conformation SP4_TS3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_118947180.pdb -s /var/tmp/to_scwrl_118947180.seq -o /var/tmp/from_scwrl_118947180.pdb > /var/tmp/scwrl_118947180.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_118947180.pdb # conformation set from SCWRL output # naming current conformation SP4_TS3-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS4.pdb.gz looking for model 1 # Found a chain break before 424 # copying to AlignedFragments data structure # naming current conformation SP4_TS4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1242967865.pdb -s /var/tmp/to_scwrl_1242967865.seq -o /var/tmp/from_scwrl_1242967865.pdb > /var/tmp/scwrl_1242967865.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1242967865.pdb # conformation set from SCWRL output # naming current conformation SP4_TS4-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS5.pdb.gz looking for model 1 # Found a chain break before 479 # copying to AlignedFragments data structure # naming current conformation SP4_TS5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_718752011.pdb -s /var/tmp/to_scwrl_718752011.seq -o /var/tmp/from_scwrl_718752011.pdb > /var/tmp/scwrl_718752011.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_718752011.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 471 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_336837020.pdb -s /var/tmp/to_scwrl_336837020.seq -o /var/tmp/from_scwrl_336837020.pdb > /var/tmp/scwrl_336837020.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_336837020.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 472 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1919477072.pdb -s /var/tmp/to_scwrl_1919477072.seq -o /var/tmp/from_scwrl_1919477072.pdb > /var/tmp/scwrl_1919477072.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1919477072.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 471 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1726636506.pdb -s /var/tmp/to_scwrl_1726636506.seq -o /var/tmp/from_scwrl_1726636506.pdb > /var/tmp/scwrl_1726636506.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1726636506.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 459 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1283923303.pdb -s /var/tmp/to_scwrl_1283923303.seq -o /var/tmp/from_scwrl_1283923303.pdb > /var/tmp/scwrl_1283923303.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1283923303.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 481 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1679808853.pdb -s /var/tmp/to_scwrl_1679808853.seq -o /var/tmp/from_scwrl_1679808853.pdb > /var/tmp/scwrl_1679808853.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1679808853.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 T0318 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1504492476.pdb -s /var/tmp/to_scwrl_1504492476.seq -o /var/tmp/from_scwrl_1504492476.pdb > /var/tmp/scwrl_1504492476.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1504492476.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_bnmx_TS1-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_expm_TS1.pdb.gz looking for model 1 WARNING: atoms too close: (T0318)T2.CA and (T0318)S19.CA only 0.000 apart, marking (T0318)S19.CA as missing WARNING: atoms too close: (T0318)Q3.N and (T0318)L20.N only 0.000 apart, marking (T0318)L20.N as missing WARNING: atoms too close: (T0318)Q3.CA and (T0318)L20.CA only 0.000 apart, marking (T0318)L20.CA as missing WARNING: atoms too close: (T0318)Q3.CB and (T0318)L20.CB only 0.000 apart, marking (T0318)L20.CB as missing WARNING: atoms too close: (T0318)Q3.O and (T0318)L20.O only 0.000 apart, marking (T0318)L20.O as missing WARNING: atoms too close: (T0318)Q3.C and (T0318)L20.C only 0.000 apart, marking (T0318)L20.C as missing WARNING: atoms too close: (T0318)V4.N and (T0318)I21.N only 0.000 apart, marking (T0318)I21.N as missing WARNING: atoms too close: (T0318)V4.CA and (T0318)I21.CA only 0.000 apart, marking (T0318)I21.CA as missing WARNING: atoms too close: (T0318)V4.CB and (T0318)I21.CB only 0.000 apart, marking (T0318)I21.CB as missing WARNING: atoms too close: (T0318)V4.O and (T0318)I21.O only 0.000 apart, marking (T0318)I21.O as missing WARNING: atoms too close: (T0318)V4.C and (T0318)I21.C only 0.000 apart, marking (T0318)I21.C as missing WARNING: atoms too close: (T0318)L5.N and (T0318)I22.N only 0.000 apart, marking (T0318)I22.N as missing WARNING: atoms too close: (T0318)L5.CA and (T0318)I22.CA only 0.000 apart, marking (T0318)I22.CA as missing WARNING: atoms too close: (T0318)L5.CB and (T0318)I22.CB only 0.000 apart, marking (T0318)I22.CB as missing WARNING: atoms too close: (T0318)L5.O and (T0318)I22.O only 0.000 apart, marking (T0318)I22.O as missing WARNING: atoms too close: (T0318)L5.C and (T0318)I22.C only 0.000 apart, marking (T0318)I22.C as missing WARNING: atoms too close: (T0318)V6.N and (T0318)V23.N only 0.000 apart, marking (T0318)V23.N as missing WARNING: atoms too close: (T0318)V6.CA and (T0318)V23.CA only 0.000 apart, marking (T0318)V23.CA as missing WARNING: atoms too close: (T0318)V6.CB and (T0318)V23.CB only 0.000 apart, marking (T0318)V23.CB as missing WARNING: atoms too close: (T0318)V6.C and (T0318)V23.C only 0.000 apart, marking (T0318)V23.C as missing WARNING: atoms too close: (T0318)R7.CA and (T0318)G24.CA only 0.000 apart, marking (T0318)R7.CA as missing WARNING: atoms too close: (T0318)N8.CA and (T0318)K25.CA only 0.000 apart, marking (T0318)K25.CA as missing # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation UNI-EID_expm_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_2133243841.pdb -s /var/tmp/to_scwrl_2133243841.seq -o /var/tmp/from_scwrl_2133243841.pdb > /var/tmp/scwrl_2133243841.log Error: Couldn't open file /var/tmp/from_scwrl_2133243841.pdb or /var/tmp/from_scwrl_2133243841.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2133243841_b.pdb or decoys//var/tmp/from_scwrl_2133243841_b.pdb.gz for input Trying /var/tmp/from_scwrl_2133243841_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2133243841_b.pdb or /var/tmp/from_scwrl_2133243841_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2133243841_a.pdb or decoys//var/tmp/from_scwrl_2133243841_a.pdb.gz for input Trying /var/tmp/from_scwrl_2133243841_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2133243841_a.pdb or /var/tmp/from_scwrl_2133243841_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2133243841.pdb or /var/tmp/from_scwrl_2133243841_b.pdb or /var/tmp/from_scwrl_2133243841_a.pdb Error: no new SCWRL conformation added # naming current conformation UNI-EID_expm_TS1-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_875433437.pdb -s /var/tmp/to_scwrl_875433437.seq -o /var/tmp/from_scwrl_875433437.pdb > /var/tmp/scwrl_875433437.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_875433437.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_sfst_AL1-scwrl # ReadConformPDB reading from PDB file servers/Zhang-Server_TS1.pdb.gz looking for model 1 # Found a chain break before 484 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_68205606.pdb -s /var/tmp/to_scwrl_68205606.seq -o /var/tmp/from_scwrl_68205606.pdb > /var/tmp/scwrl_68205606.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_68205606.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 484 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1057966283.pdb -s /var/tmp/to_scwrl_1057966283.seq -o /var/tmp/from_scwrl_1057966283.pdb > /var/tmp/scwrl_1057966283.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1057966283.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 484 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1748562318.pdb -s /var/tmp/to_scwrl_1748562318.seq -o /var/tmp/from_scwrl_1748562318.pdb > /var/tmp/scwrl_1748562318.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1748562318.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 485 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_2028823276.pdb -s /var/tmp/to_scwrl_2028823276.seq -o /var/tmp/from_scwrl_2028823276.pdb > /var/tmp/scwrl_2028823276.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2028823276.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 471 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_29753961.pdb -s /var/tmp/to_scwrl_29753961.seq -o /var/tmp/from_scwrl_29753961.pdb > /var/tmp/scwrl_29753961.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_29753961.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 490 # copying to AlignedFragments data structure # naming current conformation beautshot_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_579733256.pdb -s /var/tmp/to_scwrl_579733256.seq -o /var/tmp/from_scwrl_579733256.pdb > /var/tmp/scwrl_579733256.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_579733256.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 T0318 can't currently be optimized by undertaker # naming current conformation beautshotbase_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1465097376.pdb -s /var/tmp/to_scwrl_1465097376.seq -o /var/tmp/from_scwrl_1465097376.pdb > /var/tmp/scwrl_1465097376.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1465097376.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 T0318 can't currently be optimized by undertaker # naming current conformation forecast-s_AL1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1506231109.pdb -s /var/tmp/to_scwrl_1506231109.seq -o /var/tmp/from_scwrl_1506231109.pdb > /var/tmp/scwrl_1506231109.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1506231109.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 T0318 can't currently be optimized by undertaker # naming current conformation forecast-s_AL2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_70239772.pdb -s /var/tmp/to_scwrl_70239772.seq -o /var/tmp/from_scwrl_70239772.pdb > /var/tmp/scwrl_70239772.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_70239772.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 T0318 can't currently be optimized by undertaker # naming current conformation forecast-s_AL3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1659349350.pdb -s /var/tmp/to_scwrl_1659349350.seq -o /var/tmp/from_scwrl_1659349350.pdb > /var/tmp/scwrl_1659349350.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1659349350.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 T0318 can't currently be optimized by undertaker # naming current conformation forecast-s_AL4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_480786761.pdb -s /var/tmp/to_scwrl_480786761.seq -o /var/tmp/from_scwrl_480786761.pdb > /var/tmp/scwrl_480786761.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_480786761.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 T0318 can't currently be optimized by undertaker # naming current conformation forecast-s_AL5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1050877041.pdb -s /var/tmp/to_scwrl_1050877041.seq -o /var/tmp/from_scwrl_1050877041.pdb > /var/tmp/scwrl_1050877041.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1050877041.pdb # conformation set from SCWRL output # naming current conformation forecast-s_AL5-scwrl # ReadConformPDB reading from PDB file servers/gtg_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation gtg_AL1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_400852380.pdb -s /var/tmp/to_scwrl_400852380.seq -o /var/tmp/from_scwrl_400852380.pdb > /var/tmp/scwrl_400852380.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_400852380.pdb # conformation set from SCWRL output # naming current conformation gtg_AL1-scwrl # ReadConformPDB reading from PDB file servers/gtg_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation gtg_AL2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_625509301.pdb -s /var/tmp/to_scwrl_625509301.seq -o /var/tmp/from_scwrl_625509301.pdb > /var/tmp/scwrl_625509301.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_625509301.pdb # conformation set from SCWRL output # naming current conformation gtg_AL2-scwrl # ReadConformPDB reading from PDB file servers/gtg_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation gtg_AL3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_654402116.pdb -s /var/tmp/to_scwrl_654402116.seq -o /var/tmp/from_scwrl_654402116.pdb > /var/tmp/scwrl_654402116.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_654402116.pdb # conformation set from SCWRL output # naming current conformation gtg_AL3-scwrl # ReadConformPDB reading from PDB file servers/gtg_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation gtg_AL4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1382720729.pdb -s /var/tmp/to_scwrl_1382720729.seq -o /var/tmp/from_scwrl_1382720729.pdb > /var/tmp/scwrl_1382720729.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1382720729.pdb # conformation set from SCWRL output # naming current conformation gtg_AL4-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation karypis.srv.2_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_2051355786.pdb -s /var/tmp/to_scwrl_2051355786.seq -o /var/tmp/from_scwrl_2051355786.pdb > /var/tmp/scwrl_2051355786.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2051355786.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 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation karypis.srv.2_TS2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1229464532.pdb -s /var/tmp/to_scwrl_1229464532.seq -o /var/tmp/from_scwrl_1229464532.pdb > /var/tmp/scwrl_1229464532.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1229464532.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 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation karypis.srv.2_TS3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1541445493.pdb -s /var/tmp/to_scwrl_1541445493.seq -o /var/tmp/from_scwrl_1541445493.pdb > /var/tmp/scwrl_1541445493.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1541445493.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 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation karypis.srv.2_TS4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_2073113018.pdb -s /var/tmp/to_scwrl_2073113018.seq -o /var/tmp/from_scwrl_2073113018.pdb > /var/tmp/scwrl_2073113018.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2073113018.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 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation karypis.srv.2_TS5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1348411712.pdb -s /var/tmp/to_scwrl_1348411712.seq -o /var/tmp/from_scwrl_1348411712.pdb > /var/tmp/scwrl_1348411712.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1348411712.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 490 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_636929712.pdb -s /var/tmp/to_scwrl_636929712.seq -o /var/tmp/from_scwrl_636929712.pdb > /var/tmp/scwrl_636929712.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_636929712.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS1-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS2.pdb.gz looking for model 1 # Found a chain break before 489 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_644381382.pdb -s /var/tmp/to_scwrl_644381382.seq -o /var/tmp/from_scwrl_644381382.pdb > /var/tmp/scwrl_644381382.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_644381382.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS2-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS3.pdb.gz looking for model 1 WARNING: atoms too close: (T0318)A392.O and (T0318)G393.N only 0.000 apart, marking (T0318)G393.N as missing # WARNING: incomplete conformation T0318 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 442 ; scwrl3 -i /var/tmp/to_scwrl_1685248733.pdb -s /var/tmp/to_scwrl_1685248733.seq -o /var/tmp/from_scwrl_1685248733.pdb > /var/tmp/scwrl_1685248733.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1685248733.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS3-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS4.pdb.gz looking for model 1 WARNING: atoms too close: (T0318)G481.O and (T0318)K482.N only 0.000 apart, marking (T0318)K482.N as missing # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_408923137.pdb -s /var/tmp/to_scwrl_408923137.seq -o /var/tmp/from_scwrl_408923137.pdb > /var/tmp/scwrl_408923137.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_408923137.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS4-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS5.pdb.gz looking for model 1 WARNING: atoms too close: (T0318)S81.O and (T0318)S82.N only 0.000 apart, marking (T0318)S82.N as missing # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_223534241.pdb -s /var/tmp/to_scwrl_223534241.seq -o /var/tmp/from_scwrl_223534241.pdb > /var/tmp/scwrl_223534241.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_223534241.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS5-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_821688390.pdb -s /var/tmp/to_scwrl_821688390.seq -o /var/tmp/from_scwrl_821688390.pdb > /var/tmp/scwrl_821688390.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_821688390.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 T0318 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_2088731990.pdb -s /var/tmp/to_scwrl_2088731990.seq -o /var/tmp/from_scwrl_2088731990.pdb > /var/tmp/scwrl_2088731990.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2088731990.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 T0318 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1728026717.pdb -s /var/tmp/to_scwrl_1728026717.seq -o /var/tmp/from_scwrl_1728026717.pdb > /var/tmp/scwrl_1728026717.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1728026717.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 T0318 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_807448585.pdb -s /var/tmp/to_scwrl_807448585.seq -o /var/tmp/from_scwrl_807448585.pdb > /var/tmp/scwrl_807448585.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_807448585.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 T0318 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_816681780.pdb -s /var/tmp/to_scwrl_816681780.seq -o /var/tmp/from_scwrl_816681780.pdb > /var/tmp/scwrl_816681780.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_816681780.pdb # conformation set from SCWRL output # naming current conformation karypis.srv_TS5-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS1.pdb.gz looking for model 1 # Found a chain break before 470 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1796232323.pdb -s /var/tmp/to_scwrl_1796232323.seq -o /var/tmp/from_scwrl_1796232323.pdb > /var/tmp/scwrl_1796232323.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1796232323.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS1-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS2.pdb.gz looking for model 1 # Found a chain break before 374 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1865414867.pdb -s /var/tmp/to_scwrl_1865414867.seq -o /var/tmp/from_scwrl_1865414867.pdb > /var/tmp/scwrl_1865414867.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1865414867.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS2-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS3.pdb.gz looking for model 1 # Found a chain break before 379 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_417760451.pdb -s /var/tmp/to_scwrl_417760451.seq -o /var/tmp/from_scwrl_417760451.pdb > /var/tmp/scwrl_417760451.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_417760451.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS3-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS4.pdb.gz looking for model 1 # Found a chain break before 432 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1677571952.pdb -s /var/tmp/to_scwrl_1677571952.seq -o /var/tmp/from_scwrl_1677571952.pdb > /var/tmp/scwrl_1677571952.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1677571952.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS4-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS5.pdb.gz looking for model 1 # Found a chain break before 458 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1895168828.pdb -s /var/tmp/to_scwrl_1895168828.seq -o /var/tmp/from_scwrl_1895168828.pdb > /var/tmp/scwrl_1895168828.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1895168828.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 T0318 can't currently be optimized by undertaker # naming current conformation mGen-3D_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_997493708.pdb -s /var/tmp/to_scwrl_997493708.seq -o /var/tmp/from_scwrl_997493708.pdb > /var/tmp/scwrl_997493708.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_997493708.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 T0318 can't currently be optimized by undertaker # naming current conformation nFOLD_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_995185683.pdb -s /var/tmp/to_scwrl_995185683.seq -o /var/tmp/from_scwrl_995185683.pdb > /var/tmp/scwrl_995185683.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_995185683.pdb # conformation set from SCWRL output # naming current conformation nFOLD_TS1-scwrl # ReadConformPDB reading from PDB file servers/nFOLD_TS2.pdb.gz looking for model 1 WARNING: atom 1 has residue number 152 < previous residue 485 in servers/nFOLD_TS2.pdb.gz # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation nFOLD_TS2 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1253916290.pdb -s /var/tmp/to_scwrl_1253916290.seq -o /var/tmp/from_scwrl_1253916290.pdb > /var/tmp/scwrl_1253916290.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1253916290.pdb # conformation set from SCWRL output # naming current conformation nFOLD_TS2-scwrl # ReadConformPDB reading from PDB file servers/nFOLD_TS3.pdb.gz looking for model 1 WARNING: atom 1 has residue number 164 < previous residue 485 in servers/nFOLD_TS3.pdb.gz # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation nFOLD_TS3 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1067733480.pdb -s /var/tmp/to_scwrl_1067733480.seq -o /var/tmp/from_scwrl_1067733480.pdb > /var/tmp/scwrl_1067733480.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1067733480.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 T0318 can't currently be optimized by undertaker # naming current conformation nFOLD_TS4 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_507051386.pdb -s /var/tmp/to_scwrl_507051386.seq -o /var/tmp/from_scwrl_507051386.pdb > /var/tmp/scwrl_507051386.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_507051386.pdb # conformation set from SCWRL output # naming current conformation nFOLD_TS4-scwrl # ReadConformPDB reading from PDB file servers/nFOLD_TS5.pdb.gz looking for model 1 WARNING: atom 1 has residue number 1 < previous residue 424 in servers/nFOLD_TS5.pdb.gz # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation nFOLD_TS5 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_1734703051.pdb -s /var/tmp/to_scwrl_1734703051.seq -o /var/tmp/from_scwrl_1734703051.pdb > /var/tmp/scwrl_1734703051.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1734703051.pdb # conformation set from SCWRL output # naming current conformation nFOLD_TS5-scwrl # ReadConformPDB reading from PDB file servers/panther2_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # naming current conformation panther2_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_2118610520.pdb -s /var/tmp/to_scwrl_2118610520.seq -o /var/tmp/from_scwrl_2118610520.pdb > /var/tmp/scwrl_2118610520.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2118610520.pdb # conformation set from SCWRL output # naming current conformation panther2_TS1-scwrl # ReadConformPDB reading from PDB file servers/shub_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0318 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation shub_TS1 # request to SCWRL produces command: ulimit -t 442 ; scwrl3 -i /var/tmp/to_scwrl_907903766.pdb -s /var/tmp/to_scwrl_907903766.seq -o /var/tmp/from_scwrl_907903766.pdb > /var/tmp/scwrl_907903766.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_907903766.pdb # conformation set from SCWRL output # naming current conformation shub_TS1-scwrl # command:CPU_time= 139.61 sec, elapsed time= 1115.88 sec) # command:# Prefix for output files set to decoys/ # command:# Will now start reporting costs to decoys/evaluate_2.rdb # command:# CostConform Warning: Couldn't open file decoys//projects/compbio/experiments/undertaker/spots/near-backbone-center.spot or decoys//projects/compbio/experiments/undertaker/spots/near-backbone-center.spot.gz for input Trying /projects/compbio/experiments/undertaker/spots/near-backbone-center.spot # Reading spots from /projects/compbio/experiments/undertaker/spots/near-backbone-center.spot shub_TS1-scwrl costs 0 real_cost = -89.3089 shub_TS1 costs 0 real_cost = -86.3195 panther2_TS1-scwrl costs 0 real_cost = -22.1906 panther2_TS1 costs 0 real_cost = -28.4075 nFOLD_TS5-scwrl costs 0 real_cost = 662.272 nFOLD_TS5 costs 0 real_cost = 775.244 nFOLD_TS4-scwrl costs 0 real_cost = 361.647 nFOLD_TS4 costs 0 real_cost = 578.337 nFOLD_TS3-scwrl costs 0 real_cost = 451.934 nFOLD_TS3 costs 0 real_cost = 589.14 nFOLD_TS2-scwrl costs 0 real_cost = 445.527 nFOLD_TS2 costs 0 real_cost = 618.342 nFOLD_TS1-scwrl costs 0 real_cost = -128.146 nFOLD_TS1 costs 0 real_cost = 96.3759 mGen-3D_TS1-scwrl costs 0 real_cost = -114 mGen-3D_TS1 costs 0 real_cost = 101.636 keasar-server_TS5-scwrl costs 0 real_cost = -184.452 keasar-server_TS5 costs 0 real_cost = -177.98 keasar-server_TS4-scwrl costs 0 real_cost = -184.333 keasar-server_TS4 costs 0 real_cost = -180.528 keasar-server_TS3-scwrl costs 0 real_cost = -151.451 keasar-server_TS3 costs 0 real_cost = -140.15 keasar-server_TS2-scwrl costs 0 real_cost = -142.655 keasar-server_TS2 costs 0 real_cost = -132.533 keasar-server_TS1-scwrl costs 0 real_cost = -185.281 keasar-server_TS1 costs 0 real_cost = -184.706 karypis.srv_TS5-scwrl costs 0 real_cost = 335.914 karypis.srv_TS5 costs 0 real_cost = 327.238 karypis.srv_TS4-scwrl costs 0 real_cost = 278.106 karypis.srv_TS4 costs 0 real_cost = 271.201 karypis.srv_TS3-scwrl costs 0 real_cost = 226.559 karypis.srv_TS3 costs 0 real_cost = 223.929 karypis.srv_TS2-scwrl costs 0 real_cost = -154.253 karypis.srv_TS2 costs 0 real_cost = -159.512 karypis.srv_TS1-scwrl costs 0 real_cost = -69.309 karypis.srv_TS1 costs 0 real_cost = -70.4027 karypis.srv.4_TS5-scwrl costs 0 real_cost = 347.665 karypis.srv.4_TS5 costs 0 real_cost = 347.525 karypis.srv.4_TS4-scwrl costs 0 real_cost = 324.918 karypis.srv.4_TS4 costs 0 real_cost = 325.727 karypis.srv.4_TS3-scwrl costs 0 real_cost = 374.528 karypis.srv.4_TS3 costs 0 real_cost = 376.631 karypis.srv.4_TS2-scwrl costs 0 real_cost = 322.623 karypis.srv.4_TS2 costs 0 real_cost = 322.029 karypis.srv.4_TS1-scwrl costs 0 real_cost = 341.449 karypis.srv.4_TS1 costs 0 real_cost = 339.86 karypis.srv.2_TS5-scwrl costs 0 real_cost = -15.7984 karypis.srv.2_TS5 costs 0 real_cost = -17.5234 karypis.srv.2_TS4-scwrl costs 0 real_cost = -22.1318 karypis.srv.2_TS4 costs 0 real_cost = -23.645 karypis.srv.2_TS3-scwrl costs 0 real_cost = -25.8055 karypis.srv.2_TS3 costs 0 real_cost = -27.049 karypis.srv.2_TS2-scwrl costs 0 real_cost = -36.4367 karypis.srv.2_TS2 costs 0 real_cost = -39.3994 karypis.srv.2_TS1-scwrl costs 0 real_cost = -31.142 karypis.srv.2_TS1 costs 0 real_cost = -33.122 gtg_AL4-scwrl costs 0 real_cost = 1027.23 gtg_AL4 costs 0 real_cost = 1044.43 gtg_AL3-scwrl costs 0 real_cost = 1024.74 gtg_AL3 costs 0 real_cost = 1041.82 gtg_AL2-scwrl costs 0 real_cost = 80.1568 gtg_AL2 costs 0 real_cost = 283.793 gtg_AL1-scwrl costs 0 real_cost = 59.5328 gtg_AL1 costs 0 real_cost = 267.583 forecast-s_AL5-scwrl costs 0 real_cost = 602.006 forecast-s_AL5 costs 0 real_cost = 751.624 forecast-s_AL4-scwrl costs 0 real_cost = 671.514 forecast-s_AL4 costs 0 real_cost = 816.729 forecast-s_AL3-scwrl costs 0 real_cost = 774.171 forecast-s_AL3 costs 0 real_cost = 900.482 forecast-s_AL2-scwrl costs 0 real_cost = 709.66 forecast-s_AL2 costs 0 real_cost = 775.065 forecast-s_AL1-scwrl costs 0 real_cost = 124.179 forecast-s_AL1 costs 0 real_cost = 317.993 beautshotbase_TS1-scwrl costs 0 real_cost = 97.2145 beautshotbase_TS1 costs 0 real_cost = 100.34 beautshot_TS1-scwrl costs 0 real_cost = -126.029 beautshot_TS1 costs 0 real_cost = -130.189 Zhang-Server_TS5-scwrl costs 0 real_cost = -192.655 Zhang-Server_TS5 costs 0 real_cost = -187.066 Zhang-Server_TS4-scwrl costs 0 real_cost = -173.554 Zhang-Server_TS4 costs 0 real_cost = -168.438 Zhang-Server_TS3-scwrl costs 0 real_cost = -188.161 Zhang-Server_TS3 costs 0 real_cost = -178.505 Zhang-Server_TS2-scwrl costs 0 real_cost = -197.705 Zhang-Server_TS2 costs 0 real_cost = -191.924 Zhang-Server_TS1-scwrl costs 0 real_cost = -189.183 Zhang-Server_TS1 costs 0 real_cost = -186.313 UNI-EID_sfst_AL1-scwrl costs 0 real_cost = -108.856 UNI-EID_sfst_AL1 costs 0 real_cost = 184.272 UNI-EID_expm_TS1-scwrl costs 0 real_cost = 107.389 UNI-EID_bnmx_TS1-scwrl costs 0 real_cost = -127.649 UNI-EID_bnmx_TS1 costs 0 real_cost = 172.272 SPARKS2_TS5-scwrl costs 0 real_cost = 291.628 SPARKS2_TS5 costs 0 real_cost = 297.846 SPARKS2_TS4-scwrl costs 0 real_cost = 301.495 SPARKS2_TS4 costs 0 real_cost = 310.861 SPARKS2_TS3-scwrl costs 0 real_cost = -159.298 SPARKS2_TS3 costs 0 real_cost = -156.963 SPARKS2_TS2-scwrl costs 0 real_cost = -215.472 SPARKS2_TS2 costs 0 real_cost = -218.418 SPARKS2_TS1-scwrl costs 0 real_cost = -180.51 SPARKS2_TS1 costs 0 real_cost = -180.363 SP4_TS5-scwrl costs 0 real_cost = 196.424 SP4_TS5 costs 0 real_cost = 194.712 SP4_TS4-scwrl costs 0 real_cost = 237.665 SP4_TS4 costs 0 real_cost = 239.634 SP4_TS3-scwrl costs 0 real_cost = -153.205 SP4_TS3 costs 0 real_cost = -149.507 SP4_TS2-scwrl costs 0 real_cost = -217.184 SP4_TS2 costs 0 real_cost = -216.979 SP4_TS1-scwrl costs 0 real_cost = -190.872 SP4_TS1 costs 0 real_cost = -187.363 SP3_TS5-scwrl costs 0 real_cost = 356.216 SP3_TS5 costs 0 real_cost = 366.168 SP3_TS4-scwrl costs 0 real_cost = 345.399 SP3_TS4 costs 0 real_cost = 350.855 SP3_TS3-scwrl costs 0 real_cost = -162.352 SP3_TS3 costs 0 real_cost = -159.622 SP3_TS2-scwrl costs 0 real_cost = -206.848 SP3_TS2 costs 0 real_cost = -209.434 SP3_TS1-scwrl costs 0 real_cost = -179.491 SP3_TS1 costs 0 real_cost = -175.265 SAM_T06_server_TS5-scwrl costs 0 real_cost = 629.474 SAM_T06_server_TS5 costs 0 real_cost = 586.656 SAM_T06_server_TS4-scwrl costs 0 real_cost = 686.886 SAM_T06_server_TS4 costs 0 real_cost = 644.038 SAM_T06_server_TS3-scwrl costs 0 real_cost = -100.742 SAM_T06_server_TS3 costs 0 real_cost = -112.976 SAM_T06_server_TS2-scwrl costs 0 real_cost = -113.242 SAM_T06_server_TS2 costs 0 real_cost = -136.187 SAM_T06_server_TS1-scwrl costs 0 real_cost = -126.622 SAM_T06_server_TS1 costs 0 real_cost = -126.652 SAM-T99_AL5-scwrl costs 0 real_cost = -136.251 SAM-T99_AL5 costs 0 real_cost = 182.502 SAM-T99_AL4-scwrl costs 0 real_cost = -150.851 SAM-T99_AL4 costs 0 real_cost = 168.133 SAM-T99_AL3-scwrl costs 0 real_cost = -150.644 SAM-T99_AL3 costs 0 real_cost = 169.423 SAM-T99_AL2-scwrl costs 0 real_cost = -80.4577 SAM-T99_AL2 costs 0 real_cost = 217.494 SAM-T99_AL1-scwrl costs 0 real_cost = -74.2307 SAM-T99_AL1 costs 0 real_cost = 217.445 SAM-T02_AL5-scwrl costs 0 real_cost = 791.01 SAM-T02_AL5 costs 0 real_cost = 893.314 SAM-T02_AL4-scwrl costs 0 real_cost = -103.541 SAM-T02_AL4 costs 0 real_cost = 221.18 SAM-T02_AL3-scwrl costs 0 real_cost = -143.258 SAM-T02_AL3 costs 0 real_cost = 179.576 SAM-T02_AL2-scwrl costs 0 real_cost = -76.2792 SAM-T02_AL2 costs 0 real_cost = 231.425 SAM-T02_AL1-scwrl costs 0 real_cost = -65.5206 SAM-T02_AL1 costs 0 real_cost = 245.314 ROKKY_TS4-scwrl costs 0 real_cost = -154.656 ROKKY_TS4 costs 0 real_cost = -152.625 ROKKY_TS3-scwrl costs 0 real_cost = -172.849 ROKKY_TS3 costs 0 real_cost = -169.461 ROKKY_TS2-scwrl costs 0 real_cost = -162.681 ROKKY_TS2 costs 0 real_cost = -161.957 ROKKY_TS1-scwrl costs 0 real_cost = -194.049 ROKKY_TS1 costs 0 real_cost = -196.778 ROBETTA_TS5-scwrl costs 0 real_cost = -201.661 ROBETTA_TS5 costs 0 real_cost = -197.967 ROBETTA_TS4-scwrl costs 0 real_cost = -202.936 ROBETTA_TS4 costs 0 real_cost = -204.157 ROBETTA_TS3-scwrl costs 0 real_cost = -203.233 ROBETTA_TS3 costs 0 real_cost = -200.704 ROBETTA_TS2-scwrl costs 0 real_cost = -191.332 ROBETTA_TS2 costs 0 real_cost = -186.659 ROBETTA_TS1-scwrl costs 0 real_cost = -207.75 ROBETTA_TS1 costs 0 real_cost = -204.257 RAPTOR_TS5-scwrl costs 0 real_cost = -56.7478 RAPTOR_TS5 costs 0 real_cost = -56.0373 RAPTOR_TS4-scwrl costs 0 real_cost = -203.442 RAPTOR_TS4 costs 0 real_cost = -205.011 RAPTOR_TS3-scwrl costs 0 real_cost = -177.015 RAPTOR_TS3 costs 0 real_cost = -169.344 RAPTOR_TS2-scwrl costs 0 real_cost = -172.298 RAPTOR_TS2 costs 0 real_cost = -168.394 RAPTOR_TS1-scwrl costs 0 real_cost = -203.411 RAPTOR_TS1 costs 0 real_cost = -205.351 RAPTORESS_TS5-scwrl costs 0 real_cost = -45.8853 RAPTORESS_TS5 costs 0 real_cost = -44.5824 RAPTORESS_TS4-scwrl costs 0 real_cost = -203.487 RAPTORESS_TS4 costs 0 real_cost = -208.011 RAPTORESS_TS3-scwrl costs 0 real_cost = -160.604 RAPTORESS_TS3 costs 0 real_cost = -155.466 RAPTORESS_TS2-scwrl costs 0 real_cost = -149.268 RAPTORESS_TS2 costs 0 real_cost = -149.396 RAPTORESS_TS1-scwrl costs 0 real_cost = -211.509 RAPTORESS_TS1 costs 0 real_cost = -212.353 RAPTOR-ACE_TS5-scwrl costs 0 real_cost = -186.196 RAPTOR-ACE_TS5 costs 0 real_cost = -182.199 RAPTOR-ACE_TS4-scwrl costs 0 real_cost = -179.491 RAPTOR-ACE_TS4 costs 0 real_cost = -175.265 RAPTOR-ACE_TS3-scwrl costs 0 real_cost = -206.257 RAPTOR-ACE_TS3 costs 0 real_cost = -206.316 RAPTOR-ACE_TS2-scwrl costs 0 real_cost = -206.848 RAPTOR-ACE_TS2 costs 0 real_cost = -209.434 RAPTOR-ACE_TS1-scwrl costs 0 real_cost = -176.181 RAPTOR-ACE_TS1 costs 0 real_cost = -173.345 Pmodeller6_TS5-scwrl costs 0 real_cost = -154.686 Pmodeller6_TS5 costs 0 real_cost = -155.874 Pmodeller6_TS4-scwrl costs 0 real_cost = -203.233 Pmodeller6_TS4 costs 0 real_cost = -200.704 Pmodeller6_TS3-scwrl costs 0 real_cost = 109.712 Pmodeller6_TS3 costs 0 real_cost = 106.765 Pmodeller6_TS2-scwrl costs 0 real_cost = -201.661 Pmodeller6_TS2 costs 0 real_cost = -197.967 Pmodeller6_TS1-scwrl costs 0 real_cost = -185.023 Pmodeller6_TS1 costs 0 real_cost = -187.645 Phyre-2_TS5-scwrl costs 0 real_cost = -87.4313 Phyre-2_TS5 costs 0 real_cost = -87.3803 Phyre-2_TS4-scwrl costs 0 real_cost = 158.374 Phyre-2_TS4 costs 0 real_cost = 157.21 Phyre-2_TS3-scwrl costs 0 real_cost = 0.504715 Phyre-2_TS3 costs 0 real_cost = -3.42065 Phyre-2_TS2-scwrl costs 0 real_cost = -62.2472 Phyre-2_TS2 costs 0 real_cost = -62.2425 Phyre-2_TS1-scwrl costs 0 real_cost = -145.275 Phyre-2_TS1 costs 0 real_cost = -144.381 Phyre-1_TS1-scwrl costs 0 real_cost = -132.211 Phyre-1_TS1 costs 0 real_cost = -133.555 Pcons6_TS5-scwrl costs 0 real_cost = -199.96 Pcons6_TS5 costs 0 real_cost = -201.205 Pcons6_TS4-scwrl costs 0 real_cost = -195.996 Pcons6_TS4 costs 0 real_cost = -197.07 Pcons6_TS3-scwrl costs 0 real_cost = -176.954 Pcons6_TS3 costs 0 real_cost = -176.946 Pcons6_TS2-scwrl costs 0 real_cost = -173.132 Pcons6_TS2 costs 0 real_cost = -175.777 Pcons6_TS1-scwrl costs 0 real_cost = -199.96 Pcons6_TS1 costs 0 real_cost = -201.205 PROTINFO_TS5-scwrl costs 0 real_cost = -206.934 PROTINFO_TS5 costs 0 real_cost = -209.091 PROTINFO_TS4-scwrl costs 0 real_cost = -164.101 PROTINFO_TS4 costs 0 real_cost = -160.982 PROTINFO_TS3-scwrl costs 0 real_cost = -215.937 PROTINFO_TS3 costs 0 real_cost = -219.128 PROTINFO_TS2-scwrl costs 0 real_cost = -217.188 PROTINFO_TS2 costs 0 real_cost = -218.814 PROTINFO_TS1-scwrl costs 0 real_cost = -221.901 PROTINFO_TS1 costs 0 real_cost = -221.823 PROTINFO-AB_TS5-scwrl costs 0 real_cost = -142.313 PROTINFO-AB_TS5 costs 0 real_cost = -139.215 PROTINFO-AB_TS4-scwrl costs 0 real_cost = -125.725 PROTINFO-AB_TS4 costs 0 real_cost = -121.451 PROTINFO-AB_TS3-scwrl costs 0 real_cost = -77.833 PROTINFO-AB_TS3 costs 0 real_cost = -77.1753 PROTINFO-AB_TS2-scwrl costs 0 real_cost = -135.398 PROTINFO-AB_TS2 costs 0 real_cost = -132.967 PROTINFO-AB_TS1-scwrl costs 0 real_cost = -99.6294 PROTINFO-AB_TS1 costs 0 real_cost = -91.8953 POMYSL_TS5-scwrl costs 0 real_cost = 834.972 POMYSL_TS5 costs 0 real_cost = 827.738 POMYSL_TS4-scwrl costs 0 real_cost = 880.422 POMYSL_TS3-scwrl costs 0 real_cost = 845.309 POMYSL_TS3 costs 0 real_cost = 798.466 POMYSL_TS2-scwrl costs 0 real_cost = 782.199 POMYSL_TS2 costs 0 real_cost = 795.318 NN_PUT_lab_TS1-scwrl costs 0 real_cost = -128.146 NN_PUT_lab_TS1 costs 0 real_cost = 96.3759 MetaTasser_TS5-scwrl costs 0 real_cost = -59.0457 MetaTasser_TS5 costs 0 real_cost = -56.8641 MetaTasser_TS4-scwrl costs 0 real_cost = -24.1608 MetaTasser_TS4 costs 0 real_cost = -25.2229 MetaTasser_TS3-scwrl costs 0 real_cost = -116.64 MetaTasser_TS3 costs 0 real_cost = -119.668 MetaTasser_TS2-scwrl costs 0 real_cost = -111.266 MetaTasser_TS2 costs 0 real_cost = -113.213 MetaTasser_TS1-scwrl costs 0 real_cost = -95.575 MetaTasser_TS1 costs 0 real_cost = -97.3633 Ma-OPUS-server_TS4-scwrl costs 0 real_cost = 309.821 Ma-OPUS-server_TS4 costs 0 real_cost = 312.44 Ma-OPUS-server_TS3-scwrl costs 0 real_cost = 290.002 Ma-OPUS-server_TS3 costs 0 real_cost = 291.633 Ma-OPUS-server_TS2-scwrl costs 0 real_cost = -158.244 Ma-OPUS-server_TS2 costs 0 real_cost = -155.77 Ma-OPUS-server_TS1-scwrl costs 0 real_cost = -199.09 Ma-OPUS-server_TS1 costs 0 real_cost = -197.797 LOOPP_TS5-scwrl costs 0 real_cost = 100.114 LOOPP_TS5 costs 0 real_cost = 103.965 LOOPP_TS4-scwrl costs 0 real_cost = -159.967 LOOPP_TS4 costs 0 real_cost = -156.022 LOOPP_TS3-scwrl costs 0 real_cost = -100.919 LOOPP_TS3 costs 0 real_cost = -96.1177 LOOPP_TS2-scwrl costs 0 real_cost = -88.2222 LOOPP_TS2 costs 0 real_cost = -84.0508 LOOPP_TS1-scwrl costs 0 real_cost = -127.856 LOOPP_TS1 costs 0 real_cost = -126.231 Huber-Torda-Server_TS5-scwrl costs 0 real_cost = 686.745 Huber-Torda-Server_TS5 costs 0 real_cost = 764.516 Huber-Torda-Server_TS4-scwrl costs 0 real_cost = 792.453 Huber-Torda-Server_TS4 costs 0 real_cost = 831.644 Huber-Torda-Server_TS3-scwrl costs 0 real_cost = 753.01 Huber-Torda-Server_TS3 costs 0 real_cost = 801.005 Huber-Torda-Server_TS2-scwrl costs 0 real_cost = 83.379 Huber-Torda-Server_TS2 costs 0 real_cost = 226.83 Huber-Torda-Server_TS1-scwrl costs 0 real_cost = -25.8189 Huber-Torda-Server_TS1 costs 0 real_cost = 152.628 HHpred3_TS1-scwrl costs 0 real_cost = -197.995 HHpred3_TS1 costs 0 real_cost = -196.999 HHpred2_TS1-scwrl costs 0 real_cost = -207.578 HHpred2_TS1 costs 0 real_cost = -204.825 HHpred1_TS1-scwrl costs 0 real_cost = -195.809 HHpred1_TS1 costs 0 real_cost = -189.916 GeneSilicoMetaServer_TS5-scwrl costs 0 real_cost = -167.328 GeneSilicoMetaServer_TS5 costs 0 real_cost = -163.24 GeneSilicoMetaServer_TS4-scwrl costs 0 real_cost = 85.8587 GeneSilicoMetaServer_TS4 costs 0 real_cost = 87.7764 GeneSilicoMetaServer_TS3-scwrl costs 0 real_cost = -206.641 GeneSilicoMetaServer_TS3 costs 0 real_cost = -205.118 GeneSilicoMetaServer_TS2-scwrl costs 0 real_cost = -164.001 GeneSilicoMetaServer_TS2 costs 0 real_cost = -158.917 GeneSilicoMetaServer_TS1-scwrl costs 0 real_cost = -91.82 GeneSilicoMetaServer_TS1 costs 0 real_cost = -93.8146 FUNCTION_TS5-scwrl costs 0 real_cost = -176.391 FUNCTION_TS5 costs 0 real_cost = -175.555 FUNCTION_TS4-scwrl costs 0 real_cost = -146.655 FUNCTION_TS4 costs 0 real_cost = -149.672 FUNCTION_TS3-scwrl costs 0 real_cost = -150.086 FUNCTION_TS3 costs 0 real_cost = -155.238 FUNCTION_TS2-scwrl costs 0 real_cost = -196.496 FUNCTION_TS2 costs 0 real_cost = -194.207 FUNCTION_TS1-scwrl costs 0 real_cost = -200.207 FUNCTION_TS1 costs 0 real_cost = -205.115 FUGUE_AL5-scwrl costs 0 real_cost = 936.777 FUGUE_AL5 costs 0 real_cost = 1005.72 FUGUE_AL4-scwrl costs 0 real_cost = 587.338 FUGUE_AL4 costs 0 real_cost = 652.099 FUGUE_AL3-scwrl costs 0 real_cost = -168.557 FUGUE_AL3 costs 0 real_cost = 148.023 FUGUE_AL2-scwrl costs 0 real_cost = 93.5319 FUGUE_AL2 costs 0 real_cost = 281.473 FUGUE_AL1-scwrl costs 0 real_cost = 119.093 FUGUE_AL1 costs 0 real_cost = 317.294 FUGMOD_TS5-scwrl costs 0 real_cost = 923.151 FUGMOD_TS5 costs 0 real_cost = 917.003 FUGMOD_TS4-scwrl costs 0 real_cost = 543.56 FUGMOD_TS4 costs 0 real_cost = 570.787 FUGMOD_TS3-scwrl costs 0 real_cost = -196.017 FUGMOD_TS3 costs 0 real_cost = -199.508 FUGMOD_TS2-scwrl costs 0 real_cost = 84.7438 FUGMOD_TS2 costs 0 real_cost = 76.7088 FUGMOD_TS1-scwrl costs 0 real_cost = 109.13 FUGMOD_TS1 costs 0 real_cost = 109.175 FPSOLVER-SERVER_TS5-scwrl costs 0 real_cost = 299.438 FPSOLVER-SERVER_TS5 costs 0 real_cost = 303.274 FPSOLVER-SERVER_TS4-scwrl costs 0 real_cost = 337.8 FPSOLVER-SERVER_TS4 costs 0 real_cost = 344.053 FPSOLVER-SERVER_TS3-scwrl costs 0 real_cost = 316.506 FPSOLVER-SERVER_TS3 costs 0 real_cost = 324.023 FPSOLVER-SERVER_TS2-scwrl costs 0 real_cost = 339.131 FPSOLVER-SERVER_TS2 costs 0 real_cost = 343.322 FPSOLVER-SERVER_TS1-scwrl costs 0 real_cost = 320.672 FPSOLVER-SERVER_TS1 costs 0 real_cost = 324.259 FORTE2_AL5-scwrl costs 0 real_cost = 653.756 FORTE2_AL5 costs 0 real_cost = 807.309 FORTE2_AL4-scwrl costs 0 real_cost = 728.158 FORTE2_AL4 costs 0 real_cost = 841.658 FORTE2_AL3-scwrl costs 0 real_cost = 106.077 FORTE2_AL3 costs 0 real_cost = 303.216 FORTE2_AL2-scwrl costs 0 real_cost = -137.206 FORTE2_AL2 costs 0 real_cost = 164.151 FORTE2_AL1-scwrl costs 0 real_cost = -169.003 FORTE2_AL1 costs 0 real_cost = 138.388 FORTE1_AL5-scwrl costs 0 real_cost = 515.006 FORTE1_AL5 costs 0 real_cost = 748.958 FORTE1_AL4-scwrl costs 0 real_cost = 738.4 FORTE1_AL4 costs 0 real_cost = 799.646 FORTE1_AL3-scwrl costs 0 real_cost = 106.077 FORTE1_AL3 costs 0 real_cost = 303.216 FORTE1_AL2-scwrl costs 0 real_cost = -137.206 FORTE1_AL2 costs 0 real_cost = 164.151 FORTE1_AL1-scwrl costs 0 real_cost = -169.003 FORTE1_AL1 costs 0 real_cost = 138.388 FOLDpro_TS5-scwrl costs 0 real_cost = -207.363 FOLDpro_TS5 costs 0 real_cost = -206.409 FOLDpro_TS4-scwrl costs 0 real_cost = -169.609 FOLDpro_TS4 costs 0 real_cost = -168.184 FOLDpro_TS3-scwrl costs 0 real_cost = -205.141 FOLDpro_TS3 costs 0 real_cost = -204.4 FOLDpro_TS2-scwrl costs 0 real_cost = -163.979 FOLDpro_TS2 costs 0 real_cost = -164.547 FOLDpro_TS1-scwrl costs 0 real_cost = -184.554 FOLDpro_TS1 costs 0 real_cost = -180.903 FAMS_TS5-scwrl costs 0 real_cost = 100.936 FAMS_TS5 costs 0 real_cost = 101.88 FAMS_TS4-scwrl costs 0 real_cost = -176.391 FAMS_TS4 costs 0 real_cost = -175.555 FAMS_TS3-scwrl costs 0 real_cost = 108.584 FAMS_TS3 costs 0 real_cost = 107.781 FAMS_TS2-scwrl costs 0 real_cost = -181.989 FAMS_TS2 costs 0 real_cost = -186.814 FAMS_TS1-scwrl costs 0 real_cost = -175.632 FAMS_TS1 costs 0 real_cost = -175.125 FAMSD_TS5-scwrl costs 0 real_cost = -127.55 FAMSD_TS5 costs 0 real_cost = -132.178 FAMSD_TS4-scwrl costs 0 real_cost = -119.442 FAMSD_TS4 costs 0 real_cost = -120.047 FAMSD_TS3-scwrl costs 0 real_cost = -139.761 FAMSD_TS3 costs 0 real_cost = -140.649 FAMSD_TS2-scwrl costs 0 real_cost = -173.772 FAMSD_TS2 costs 0 real_cost = -184.754 FAMSD_TS1-scwrl costs 0 real_cost = -194.989 FAMSD_TS1 costs 0 real_cost = -199.652 Distill_TS5-scwrl costs 0 real_cost = 733.533 Distill_TS4-scwrl costs 0 real_cost = 706.01 Distill_TS3-scwrl costs 0 real_cost = 703.78 Distill_TS2-scwrl costs 0 real_cost = 707.031 Distill_TS1-scwrl costs 0 real_cost = 695.844 CaspIta-FOX_TS5-scwrl costs 0 real_cost = 773.992 CaspIta-FOX_TS5 costs 0 real_cost = 765.278 CaspIta-FOX_TS4-scwrl costs 0 real_cost = 606.2 CaspIta-FOX_TS4 costs 0 real_cost = 575.679 CaspIta-FOX_TS3-scwrl costs 0 real_cost = 810.517 CaspIta-FOX_TS3 costs 0 real_cost = 810.316 CaspIta-FOX_TS2-scwrl costs 0 real_cost = -151.444 CaspIta-FOX_TS2 costs 0 real_cost = -158.151 CaspIta-FOX_TS1-scwrl costs 0 real_cost = -178.498 CaspIta-FOX_TS1 costs 0 real_cost = -186.987 CPHmodels_TS1-scwrl costs 0 real_cost = 231.973 CPHmodels_TS1 costs 0 real_cost = 225.194 CIRCLE_TS5-scwrl costs 0 real_cost = 125.366 CIRCLE_TS5 costs 0 real_cost = 117.502 CIRCLE_TS4-scwrl costs 0 real_cost = 100.936 CIRCLE_TS4 costs 0 real_cost = 101.88 CIRCLE_TS3-scwrl costs 0 real_cost = 121.806 CIRCLE_TS3 costs 0 real_cost = 122.561 CIRCLE_TS2-scwrl costs 0 real_cost = 108.584 CIRCLE_TS2 costs 0 real_cost = 107.781 CIRCLE_TS1-scwrl costs 0 real_cost = -175.632 CIRCLE_TS1 costs 0 real_cost = -175.125 Bilab-ENABLE_TS5-scwrl costs 0 real_cost = -154.267 Bilab-ENABLE_TS5 costs 0 real_cost = -154.267 Bilab-ENABLE_TS4-scwrl costs 0 real_cost = -154.479 Bilab-ENABLE_TS4 costs 0 real_cost = -154.479 Bilab-ENABLE_TS3-scwrl costs 0 real_cost = -143.706 Bilab-ENABLE_TS3 costs 0 real_cost = -143.706 Bilab-ENABLE_TS2-scwrl costs 0 real_cost = -169.168 Bilab-ENABLE_TS2 costs 0 real_cost = -169.168 Bilab-ENABLE_TS1-scwrl costs 0 real_cost = -170.229 Bilab-ENABLE_TS1 costs 0 real_cost = -170.229 BayesHH_TS1-scwrl costs 0 real_cost = -221.13 BayesHH_TS1 costs 0 real_cost = -217.529 ABIpro_TS5-scwrl costs 0 real_cost = 285.696 ABIpro_TS5 costs 0 real_cost = 286.055 ABIpro_TS4-scwrl costs 0 real_cost = 311.692 ABIpro_TS4 costs 0 real_cost = 311.396 ABIpro_TS3-scwrl costs 0 real_cost = 307.005 ABIpro_TS3 costs 0 real_cost = 307.003 ABIpro_TS2-scwrl costs 0 real_cost = 301.965 ABIpro_TS2 costs 0 real_cost = 301.965 ABIpro_TS1-scwrl costs 0 real_cost = 315.464 ABIpro_TS1 costs 0 real_cost = 315.467 3Dpro_TS5-scwrl costs 0 real_cost = -200.212 3Dpro_TS5 costs 0 real_cost = -197.884 3Dpro_TS4-scwrl costs 0 real_cost = -184.554 3Dpro_TS4 costs 0 real_cost = -180.903 3Dpro_TS3-scwrl costs 0 real_cost = -200.727 3Dpro_TS3 costs 0 real_cost = -200.095 3Dpro_TS2-scwrl costs 0 real_cost = -172.442 3Dpro_TS2 costs 0 real_cost = -171.088 3Dpro_TS1-scwrl costs 0 real_cost = -166.951 3Dpro_TS1 costs 0 real_cost = -164.604 3D-JIGSAW_TS5-scwrl costs 0 real_cost = 121.758 3D-JIGSAW_TS5 costs 0 real_cost = 124.448 3D-JIGSAW_TS4-scwrl costs 0 real_cost = 128.214 3D-JIGSAW_TS4 costs 0 real_cost = 128.571 3D-JIGSAW_TS3-scwrl costs 0 real_cost = 102.394 3D-JIGSAW_TS3 costs 0 real_cost = 104.839 3D-JIGSAW_TS2-scwrl costs 0 real_cost = 102.718 3D-JIGSAW_TS2 costs 0 real_cost = 106.611 3D-JIGSAW_TS1-scwrl costs 0 real_cost = 128.258 3D-JIGSAW_TS1 costs 0 real_cost = 126.815 3D-JIGSAW_RECOM_TS5-scwrl costs 0 real_cost = 101.762 3D-JIGSAW_RECOM_TS5 costs 0 real_cost = 103.124 3D-JIGSAW_RECOM_TS4-scwrl costs 0 real_cost = 98.4991 3D-JIGSAW_RECOM_TS4 costs 0 real_cost = 102.455 3D-JIGSAW_RECOM_TS3-scwrl costs 0 real_cost = 98.5439 3D-JIGSAW_RECOM_TS3 costs 0 real_cost = 102.839 3D-JIGSAW_RECOM_TS2-scwrl costs 0 real_cost = 100.434 3D-JIGSAW_RECOM_TS2 costs 0 real_cost = 101.575 3D-JIGSAW_RECOM_TS1-scwrl costs 0 real_cost = 108.152 3D-JIGSAW_RECOM_TS1 costs 0 real_cost = 105.271 3D-JIGSAW_POPULUS_TS5-scwrl costs 0 real_cost = 122.397 3D-JIGSAW_POPULUS_TS5 costs 0 real_cost = 114.247 3D-JIGSAW_POPULUS_TS4-scwrl costs 0 real_cost = 116.022 3D-JIGSAW_POPULUS_TS4 costs 0 real_cost = 108.273 3D-JIGSAW_POPULUS_TS3-scwrl costs 0 real_cost = 96.944 3D-JIGSAW_POPULUS_TS3 costs 0 real_cost = 88.0614 3D-JIGSAW_POPULUS_TS2-scwrl costs 0 real_cost = 112.998 3D-JIGSAW_POPULUS_TS2 costs 0 real_cost = 105.187 3D-JIGSAW_POPULUS_TS1-scwrl costs 0 real_cost = 131.899 3D-JIGSAW_POPULUS_TS1 costs 0 real_cost = 124.062 old-6mer//6mer-1gytA-from-try4-opt2 costs 0 real_cost = -123.96 old-6mer//6mer-1gytA-from-try3-opt2 costs 0 real_cost = -96.0139 dimer//dimer-1gytA-from-try4-opt2 costs 0 real_cost = -123.96 dimer//dimer-1gytA-from-try3-opt2 costs 0 real_cost = -96.0139 dimer//try2-opt2.repack-nonPC costs 0 real_cost = -120.995 dimer//try2-opt2 costs 0 real_cost = -124.853 dimer//try2-opt2.gromacs0.repack-nonPC costs 0 real_cost = -113.606 dimer//try2-opt2.gromacs0 costs 0 real_cost = -118.576 dimer//try2-opt1 costs 0 real_cost = -124.187 dimer//try2-opt1-scwrl costs 0 real_cost = -124.942 dimer//try1-opt2.repack-nonPC costs 0 real_cost = -94.6553 dimer//try1-opt2 costs 0 real_cost = -96.2296 dimer//try1-opt2.gromacs0.repack-nonPC costs 0 real_cost = -91.4989 dimer//try1-opt2.gromacs0 costs 0 real_cost = -91.398 dimer//try1-opt1 costs 0 real_cost = -96.2129 dimer//try1-opt1-scwrl costs 0 real_cost = -96.3537 6mer//6mer-1gytA-from-try4-opt2 costs 0 real_cost = -123.96 6mer//6mer-1gytA-from-try3-opt2.unpack costs 0 real_cost = -96.0139 6mer//6mer-1gytA-from-try3-opt2 costs 0 real_cost = -96.0139 chimera2.pdb.gz costs 0 real_cost = -121.738 chimera.pdb.gz costs 0 real_cost = -111.326 T0318.try4-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -124.04 T0318.try4-opt2.pdb.gz costs 0 real_cost = -124.113 T0318.try4-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = -119.683 T0318.try4-opt2.gromacs0.pdb.gz costs 0 real_cost = -122.055 T0318.try4-opt1.pdb.gz costs 0 real_cost = -124.432 T0318.try4-opt1-scwrl.pdb.gz costs 0 real_cost = -125.818 T0318.try3-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -95.1909 T0318.try3-opt2.pdb.gz costs 0 real_cost = -96.0732 T0318.try3-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = -91.3389 T0318.try3-opt2.gromacs0.pdb.gz costs 0 real_cost = -93.3511 T0318.try3-opt1.pdb.gz costs 0 real_cost = -93.1296 T0318.try3-opt1-scwrl.pdb.gz costs 0 real_cost = -93.6037 T0318.try2-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -92.2964 T0318.try2-opt2.pdb.gz costs 0 real_cost = -94.067 T0318.try2-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = -93.3141 T0318.try2-opt2.gromacs0.pdb.gz costs 0 real_cost = -94.4598 T0318.try2-opt1.pdb.gz costs 0 real_cost = -94.751 T0318.try2-opt1-scwrl.pdb.gz costs 0 real_cost = -94.8942 T0318.try1-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -121.53 T0318.try1-opt2.pdb.gz costs 0 real_cost = -123.944 T0318.try1-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = -122.01 T0318.try1-opt2.gromacs0.pdb.gz costs 0 real_cost = -123.392 T0318.try1-opt1.pdb.gz costs 0 real_cost = -124.209 T0318.try1-opt1-scwrl.pdb.gz costs 0 real_cost = -121.903 ../model5.ts-submitted costs 0 real_cost = -138.382 ../model4.ts-submitted costs 0 real_cost = -111.333 ../model3.ts-submitted costs 0 real_cost = -124.157 ../model2.ts-submitted costs 0 real_cost = -121.724 ../model1.ts-submitted costs 0 real_cost = -96.0834 align5 costs 0 real_cost = 602.815 align4 costs 0 real_cost = 582.753 align3 costs 0 real_cost = 600.752 align2 costs 0 real_cost = -144.793 align1 costs 0 real_cost = -147.059 T0318.try1-opt2.pdb costs 0 real_cost = -123.945 model5-scwrl costs 0 real_cost = -110.519 model5.ts-submitted costs 0 real_cost = -138.382 model4-scwrl costs 0 real_cost = -109.054 model4.ts-submitted costs 0 real_cost = -111.333 model3-scwrl costs 0 real_cost = -124.103 model3.ts-submitted costs 0 real_cost = -124.157 model2-scwrl costs 0 real_cost = -121.441 model2.ts-submitted costs 0 real_cost = -121.724 model1-scwrl costs 0 real_cost = -96.9341 model1.ts-submitted costs 0 real_cost = -96.0832 T0318_2.real.pdb costs 0 real_cost = -651.6 # command:CPU_time= 4330.01 sec, elapsed time= 5308.72 sec) # command:rm -f sort.tmp /projects/compbio/bin/sorttbl real_cost < decoys/evaluate_2.rdb > sort.tmp mv -f sort.tmp decoys/evaluate_2.rdb mv -f decoys/evaluate_2.pretty decoys/evaluate_2.pretty.old mv: cannot stat `decoys/evaluate_2.pretty': No such file or directory make: [decoys/evaluate_2.pretty] Error 1 (ignored) /projects/compbio/experiments/protein-predict/casp7/scripts/prettyscore -terse -targpfx -decpoint < decoys/evaluate_2.rdb > decoys/evaluate_2.pretty