make[1]: Entering directory `/projects/compbio/experiments/protein-predict/casp7/T0307' /projects/compbio/experiments/protein-predict/casp7/starter-directory/Make.main:725: SECONDARY_TARGET = T0307.t2k.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/T0307.} ;\ 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.anglevector.rdb sed -e s/XXX0000/T0307/ -e s/START_COL/1/ \ -e s/COSTFCN/anglevector/ \ -e s/_domain// \ -e s/read-pdb/read-pdb+servers/ \ -e s/REAL_PDB/2h5nA/ \ < /projects/compbio/experiments/protein-predict/casp7/starter-directory/evaluate.under \ | nice -2 /cse/grads/jarchie/projects/cvs/karplus/undertaker/undertaker # command:# Seed set to 1182731085 # command:# Prefix for input files set to /projects/compbio/experiments/undertaker/atoms-inputs/ # command:# reading monomeric-50pc.atoms # #computed average backbone with maximum peptide_sq_deviance = 0.002 # computed average trans backbone unit from 8101 examples # computed average cis backbone unit from 20 examples # computed average trans backbone unit before proline from 332 examples # trans (non-proline) backbone unit: # CA= -2.2101 1.0129 -0.0033 # O= -0.1508 2.2440 0.0016 # C= -0.6897 1.1364 -0.0000 # N+1= 0.0000 0.0000 0.0000 # CA+1= 1.4583 -0.0000 -0.0000 # cis backbone unit: # CA= -0.1438 2.4522 0.0007 # O= -2.0283 0.9702 0.0005 # C= -0.8017 1.0759 0.0000 # N+1= 0.0000 0.0000 0.0000 # CA+1= 1.4664 -0.0000 0.0000 # trans backbone unit before proline: # CA= -2.2110 1.0636 -0.0014 # O= -0.1234 2.2469 0.0075 # C= -0.6877 1.1518 0.0000 # N+1= 0.0000 0.0000 0.0000 # CA+1= 1.4665 0.0000 0.0000 # After reading monomeric-50pc.atoms have 448 chains in training database # Count of chains,residues,atoms: 448,112605,876684 # 111048 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 685 # 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= 7.120 sec, elapsed time= 7.177 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 5.000 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 6.500 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 6.500 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 6.500 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 9.650 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 8.900 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 8.000 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 10.000 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 12.000 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= 7.208 sec, elapsed time= 7.279 sec. # command:# Prefix for input files set to # command:# Making conformation for sequence T0307 numbered 1 through 133 Created new target T0307 from T0307.a2m # command:# command:# No conformations to remove in PopConform # command:# cleared Id set # command:# command:2h5nA expands to /projects/compbio/data/pdb/2h5n.pdb.gz 2h5nA:Skipped atom 112, because occupancy 0.5 <= existing 0.500 in 2h5nA Skipped atom 114, because occupancy 0.500 <= existing 0.500 in 2h5nA Skipped atom 116, because occupancy 0.500 <= existing 0.500 in 2h5nA Skipped atom 118, because occupancy 0.500 <= existing 0.500 in 2h5nA Skipped atom 120, because occupancy 0.500 <= existing 0.500 in 2h5nA Skipped atom 122, because occupancy 0.500 <= existing 0.500 in 2h5nA Skipped atom 124, because occupancy 0.500 <= existing 0.500 in 2h5nA Skipped atom 126, because occupancy 0.500 <= existing 0.500 in 2h5nA Skipped atom 128, because occupancy 0.500 <= existing 0.500 in 2h5nA Read 132 residues and 1005 atoms. # choosing archetypes in rotamer library # WARNING: incomplete conformation T0307 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 = # ( 50.000 * real_hbond + 50.000 * real_hbond_u + 50.000 * decoy_hbond + 50.000 * decoy_hbond_u + 10.000 * real_NO_hbond + 10.000 * real_NO_hbond_u + 10.000 * decoy_NO_hbond + 10.000 * decoy_NO_hbond_u + 10.000 * knot + 200.000 * clens + 0.000 * rmsd + 35.000 * log_rmsd + 0.000 * rmsd_ca + 30.000 * log_rmsd_ca + 1.000 * GDT + 1.000 * smooth_GDT + 0.200 * missing_atoms ) # command:# SetCost created cost = # ) # command:# reading script from file anglevector.costfcn # Prefix for input files set to /projects/compbio/lib/alphabet/ # Read 2 alphabets from anglevector.alphabet # Prefix for input files set to # CreateCombinedNNet created CombinedNNet bys_t2k # CreateCombinedNNet created CombinedNNet bys_t04 # CreateCombinedNNet created CombinedNNet bys_t06 # CreateCombinedNNet created CombinedNNet bys_mean # created predicted AngleVectorPredCostFcn pred_bys_t2k # created predicted AngleVectorPredCostFcn pred_bys_t04 # created predicted AngleVectorPredCostFcn pred_bys_t06 # created predicted AngleVectorPredCostFcn pred_bys_mean # CreateCombinedNNet created CombinedNNet pb_t2k # CreateCombinedNNet created CombinedNNet pb_t04 # CreateCombinedNNet created CombinedNNet pb_t06 # CreateCombinedNNet created CombinedNNet pb_mean # created predicted AngleVectorPredCostFcn pred_pb_t2k # created predicted AngleVectorPredCostFcn pred_pb_t04 # created predicted AngleVectorPredCostFcn pred_pb_t06 # created predicted AngleVectorPredCostFcn pred_pb_mean # SetCost created cost = # ( 5.000 * bystroff + 5.000 * pred_bys_t2k + 5.000 * pred_bys_t04 + 5.000 * pred_bys_t06 + 5.000 * pred_bys_mean + 5.000 * pred_pb_t2k + 5.000 * pred_pb_t04 + 5.000 * pred_pb_t06 + 5.000 * pred_pb_mean ) # command:CPU_time= 12.549 sec, elapsed time= 12.751 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 99 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1.000 # GDT_score = -28.435 # GDT_score(maxd=8.000,maxw=2.900)= -26.963 # GDT_score(maxd=8.000,maxw=3.200)= -25.648 # GDT_score(maxd=8.000,maxw=3.500)= -24.497 # GDT_score(maxd=10.000,maxw=3.800)= -26.813 # GDT_score(maxd=10.000,maxw=4.000)= -26.077 # GDT_score(maxd=10.000,maxw=4.200)= -25.380 # GDT_score(maxd=12.000,maxw=4.300)= -27.805 # GDT_score(maxd=12.000,maxw=4.500)= -27.078 # GDT_score(maxd=12.000,maxw=4.700)= -26.386 # GDT_score(maxd=14.000,maxw=5.200)= -27.114 # GDT_score(maxd=14.000,maxw=5.500)= -26.147 # command:# Prefix for output files set to # command:superimposing iter= 0 total_weight= 1521.000 rmsd (weighted)= 17.468 (unweighted)= 17.652 superimposing iter= 1 total_weight= 3058.967 rmsd (weighted)= 9.016 (unweighted)= 17.893 superimposing iter= 2 total_weight= 1820.810 rmsd (weighted)= 6.366 (unweighted)= 18.216 superimposing iter= 3 total_weight= 1441.675 rmsd (weighted)= 5.077 (unweighted)= 18.546 superimposing iter= 4 total_weight= 1380.180 rmsd (weighted)= 4.156 (unweighted)= 18.862 superimposing iter= 5 total_weight= 1350.351 rmsd (weighted)= 3.460 (unweighted)= 19.096 # command:# Prefix for output files set to decoys/ # command:# request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_1240277515.pdb -s /var/tmp/to_scwrl_1240277515.seq -o /var/tmp/from_scwrl_1240277515.pdb > /var/tmp/scwrl_1240277515.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1240277515.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 121 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1.000 # GDT_score = -23.664 # GDT_score(maxd=8.000,maxw=2.900)= -21.066 # GDT_score(maxd=8.000,maxw=3.200)= -20.348 # GDT_score(maxd=8.000,maxw=3.500)= -19.707 # GDT_score(maxd=10.000,maxw=3.800)= -22.328 # GDT_score(maxd=10.000,maxw=4.000)= -21.822 # GDT_score(maxd=10.000,maxw=4.200)= -21.347 # GDT_score(maxd=12.000,maxw=4.300)= -24.275 # GDT_score(maxd=12.000,maxw=4.500)= -23.716 # GDT_score(maxd=12.000,maxw=4.700)= -23.194 # GDT_score(maxd=14.000,maxw=5.200)= -24.677 # GDT_score(maxd=14.000,maxw=5.500)= -23.874 # command:# request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_275336428.pdb -s /var/tmp/to_scwrl_275336428.seq -o /var/tmp/from_scwrl_275336428.pdb > /var/tmp/scwrl_275336428.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_275336428.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 100 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1.000 # GDT_score = -24.237 # GDT_score(maxd=8.000,maxw=2.900)= -23.984 # GDT_score(maxd=8.000,maxw=3.200)= -23.007 # GDT_score(maxd=8.000,maxw=3.500)= -22.094 # GDT_score(maxd=10.000,maxw=3.800)= -23.729 # GDT_score(maxd=10.000,maxw=4.000)= -23.124 # GDT_score(maxd=10.000,maxw=4.200)= -22.551 # GDT_score(maxd=12.000,maxw=4.300)= -24.721 # GDT_score(maxd=12.000,maxw=4.500)= -24.103 # GDT_score(maxd=12.000,maxw=4.700)= -23.499 # GDT_score(maxd=14.000,maxw=5.200)= -24.412 # GDT_score(maxd=14.000,maxw=5.500)= -23.545 # command:# request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_811206925.pdb -s /var/tmp/to_scwrl_811206925.seq -o /var/tmp/from_scwrl_811206925.pdb > /var/tmp/scwrl_811206925.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_811206925.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 120 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1.000 # GDT_score = -29.962 # GDT_score(maxd=8.000,maxw=2.900)= -27.984 # GDT_score(maxd=8.000,maxw=3.200)= -26.886 # GDT_score(maxd=8.000,maxw=3.500)= -25.863 # GDT_score(maxd=10.000,maxw=3.800)= -28.698 # GDT_score(maxd=10.000,maxw=4.000)= -27.948 # GDT_score(maxd=10.000,maxw=4.200)= -27.235 # GDT_score(maxd=12.000,maxw=4.300)= -30.197 # GDT_score(maxd=12.000,maxw=4.500)= -29.432 # GDT_score(maxd=12.000,maxw=4.700)= -28.700 # GDT_score(maxd=14.000,maxw=5.200)= -29.709 # GDT_score(maxd=14.000,maxw=5.500)= -28.639 # command:# request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_1493080928.pdb -s /var/tmp/to_scwrl_1493080928.seq -o /var/tmp/from_scwrl_1493080928.pdb > /var/tmp/scwrl_1493080928.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1493080928.pdb # conformation set from SCWRL output # command:# naming current conformation model4-scwrl # command:# ReadConformPDB reading from PDB file model5.ts-submitted looking for model 1 # Found a chain break before 104 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1.000 # GDT_score = -24.809 # GDT_score(maxd=8.000,maxw=2.900)= -22.885 # GDT_score(maxd=8.000,maxw=3.200)= -21.775 # GDT_score(maxd=8.000,maxw=3.500)= -20.778 # GDT_score(maxd=10.000,maxw=3.800)= -23.807 # GDT_score(maxd=10.000,maxw=4.000)= -23.113 # GDT_score(maxd=10.000,maxw=4.200)= -22.485 # GDT_score(maxd=12.000,maxw=4.300)= -25.376 # GDT_score(maxd=12.000,maxw=4.500)= -24.689 # GDT_score(maxd=12.000,maxw=4.700)= -24.034 # GDT_score(maxd=14.000,maxw=5.200)= -25.169 # GDT_score(maxd=14.000,maxw=5.500)= -24.221 # command:# request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_1538093363.pdb -s /var/tmp/to_scwrl_1538093363.seq -o /var/tmp/from_scwrl_1538093363.pdb > /var/tmp/scwrl_1538093363.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1538093363.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 T0307.try1-opt2.pdb looking for model 1 # Found a chain break before 120 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1.000 # GDT_score = -30.153 # GDT_score(maxd=8.000,maxw=2.900)= -27.963 # GDT_score(maxd=8.000,maxw=3.200)= -26.867 # GDT_score(maxd=8.000,maxw=3.500)= -25.845 # GDT_score(maxd=10.000,maxw=3.800)= -28.681 # GDT_score(maxd=10.000,maxw=4.000)= -27.932 # GDT_score(maxd=10.000,maxw=4.200)= -27.220 # GDT_score(maxd=12.000,maxw=4.300)= -30.182 # GDT_score(maxd=12.000,maxw=4.500)= -29.417 # GDT_score(maxd=12.000,maxw=4.700)= -28.687 # GDT_score(maxd=14.000,maxw=5.200)= -29.696 # GDT_score(maxd=14.000,maxw=5.500)= -28.627 # command:# Prefix for output files set to # command:superimposing iter= 0 total_weight= 1521.000 rmsd (weighted)= 14.023 (unweighted)= 14.237 superimposing iter= 1 total_weight= 2519.237 rmsd (weighted)= 8.220 (unweighted)= 14.602 superimposing iter= 2 total_weight= 1397.712 rmsd (weighted)= 6.732 (unweighted)= 15.096 superimposing iter= 3 total_weight= 1148.768 rmsd (weighted)= 6.194 (unweighted)= 15.412 superimposing iter= 4 total_weight= 1078.960 rmsd (weighted)= 5.918 (unweighted)= 15.596 superimposing iter= 5 total_weight= 1066.318 rmsd (weighted)= 5.702 (unweighted)= 15.714 # command:# Prefix for output files set to decoys/ # command:# Prefix for input files set to # command:# ReadConformPDB reading from PDB file T0307.undertaker-align.pdb looking for model 1 WARNING: atoms too close: (T0307)F50.C and (T0307)L53.C only 0.000 apart, marking (T0307)L53.C as missing WARNING: atoms too close: (T0307)G51.N and (T0307)Q54.N only 0.000 apart, marking (T0307)G51.N as missing WARNING: atoms too close: (T0307)G51.CA and (T0307)Q54.CA only 0.000 apart, marking (T0307)G51.CA as missing # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # command:# naming current conformation align1 # command:# fraction of real conformation used = 0.534 # GDT_score = -19.084 # GDT_score(maxd=8.000,maxw=2.900)= -17.126 # GDT_score(maxd=8.000,maxw=3.200)= -16.737 # GDT_score(maxd=8.000,maxw=3.500)= -16.392 # GDT_score(maxd=10.000,maxw=3.800)= -18.165 # GDT_score(maxd=10.000,maxw=4.000)= -17.848 # GDT_score(maxd=10.000,maxw=4.200)= -17.531 # GDT_score(maxd=12.000,maxw=4.300)= -19.505 # GDT_score(maxd=12.000,maxw=4.500)= -19.129 # GDT_score(maxd=12.000,maxw=4.700)= -18.739 # GDT_score(maxd=14.000,maxw=5.200)= -19.617 # GDT_score(maxd=14.000,maxw=5.500)= -19.034 # command:# ReadConformPDB reading from PDB file T0307.undertaker-align.pdb looking for model 2 WARNING: atoms too close: (T0307)L91.C and (T0307)V93.C only 0.000 apart, marking (T0307)V93.C as missing WARNING: atoms too close: (T0307)G92.N and (T0307)I94.N only 0.000 apart, marking (T0307)G92.N as missing WARNING: atoms too close: (T0307)G92.CA and (T0307)I94.CA only 0.000 apart, marking (T0307)G92.CA as missing # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # command:# naming current conformation align2 # command:# fraction of real conformation used = 0.893 # GDT_score = -18.702 # GDT_score(maxd=8.000,maxw=2.900)= -17.768 # GDT_score(maxd=8.000,maxw=3.200)= -17.207 # GDT_score(maxd=8.000,maxw=3.500)= -16.630 # GDT_score(maxd=10.000,maxw=3.800)= -18.301 # GDT_score(maxd=10.000,maxw=4.000)= -17.876 # GDT_score(maxd=10.000,maxw=4.200)= -17.437 # GDT_score(maxd=12.000,maxw=4.300)= -19.298 # GDT_score(maxd=12.000,maxw=4.500)= -18.820 # GDT_score(maxd=12.000,maxw=4.700)= -18.376 # GDT_score(maxd=14.000,maxw=5.200)= -19.217 # GDT_score(maxd=14.000,maxw=5.500)= -18.569 # command:# ReadConformPDB reading from PDB file T0307.undertaker-align.pdb looking for model 3 WARNING: atoms too close: (T0307)M48.C and (T0307)S64.C only 0.000 apart, marking (T0307)S64.C as missing WARNING: atoms too close: (T0307)R49.N and (T0307)D65.N only 0.000 apart, marking (T0307)R49.N as missing WARNING: atoms too close: (T0307)R49.CA and (T0307)D65.CA only 0.000 apart, marking (T0307)R49.CA as missing WARNING: atoms too close: (T0307)L91.C and (T0307)W109.C only 0.000 apart, marking (T0307)W109.C as missing WARNING: atoms too close: (T0307)G92.N and (T0307)T110.N only 0.000 apart, marking (T0307)G92.N as missing WARNING: atoms too close: (T0307)G92.CA and (T0307)T110.CA only 0.000 apart, marking (T0307)G92.CA as missing # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # command:# naming current conformation align3 # command:# ReadConformPDB reading from PDB file T0307.undertaker-align.pdb looking for model 4 # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # command:# naming current conformation align4 # command:# ReadConformPDB reading from PDB file T0307.undertaker-align.pdb looking for model 5 WARNING: atoms too close: (T0307)G51.C and (T0307)A63.C only 0.000 apart, marking (T0307)A63.C as missing WARNING: atoms too close: (T0307)I52.N and (T0307)S64.N only 0.000 apart, marking (T0307)I52.N as missing WARNING: atoms too close: (T0307)I52.CA and (T0307)S64.CA only 0.000 apart, marking (T0307)I52.CA as missing # WARNING: incomplete conformation T0307 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 99 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model2.ts-submitted looking for model 1 # Found a chain break before 121 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model3.ts-submitted looking for model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model4.ts-submitted looking for model 1 # Found a chain break before 120 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model5.ts-submitted looking for model 1 # Found a chain break before 104 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try1-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 120 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try1-opt1.pdb.gz looking for model 1 # Found a chain break before 120 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try1-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 64 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try1-opt2.pdb.gz looking for model 1 # Found a chain break before 120 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try1-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 120 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try10-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 132 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try10-opt1.pdb.gz looking for model 1 # Found a chain break before 132 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try10-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 119 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try10-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 119 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try10-opt2.pdb.gz looking for model 1 # Found a chain break before 132 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try10-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 132 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try11-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try11-opt1.pdb.gz looking for model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try11-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 95 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try11-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 95 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try11-opt2.pdb.gz looking for model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try11-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try12-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try12-opt1.pdb.gz looking for model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try12-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 96 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try12-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 96 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try12-opt2.pdb.gz looking for model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try12-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try13-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 113 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try13-opt1.pdb.gz looking for model 1 # Found a chain break before 113 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try13-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try13-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try13-opt2.pdb.gz looking for model 1 # Found a chain break before 119 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try13-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 119 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try14-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 120 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try14-opt1.pdb.gz looking for model 1 # Found a chain break before 120 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try14-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 69 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try14-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 69 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try14-opt2.pdb.gz looking for model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try14-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try15-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 127 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try15-opt1.pdb.gz looking for model 1 # Found a chain break before 127 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try15-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try15-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try15-opt2.pdb.gz looking for model 1 # Found a chain break before 127 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try15-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 127 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try16-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 119 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try16-opt1.pdb.gz looking for model 1 # Found a chain break before 119 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try16-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 96 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try16-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 96 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try16-opt2.pdb.gz looking for model 1 # Found a chain break before 119 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try16-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 119 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try17-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 117 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try17-opt1.pdb.gz looking for model 1 # Found a chain break before 117 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try17-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 108 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try17-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 108 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try17-opt2.pdb.gz looking for model 1 # Found a chain break before 117 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try17-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 117 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try18-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 129 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try18-opt1.pdb.gz looking for model 1 # Found a chain break before 129 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try18-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 116 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try18-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 116 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try18-opt2.pdb.gz looking for model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try18-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try2-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 116 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try2-opt1.pdb.gz looking for model 1 # Found a chain break before 116 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try2-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 65 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try2-opt2.pdb.gz looking for model 1 # Found a chain break before 116 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try2-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 116 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try20-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try20-opt1.pdb.gz looking for model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try20-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 68 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try20-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 68 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try20-opt2.pdb.gz looking for model 1 # Found a chain break before 122 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try20-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 122 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try21-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 115 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try21-opt1.pdb.gz looking for model 1 # Found a chain break before 115 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try21-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 104 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try21-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 104 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try21-opt2.pdb.gz looking for model 1 # Found a chain break before 115 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try21-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 115 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try22-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 102 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try22-opt1.pdb.gz looking for model 1 # Found a chain break before 102 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try22-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try22-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try22-opt2.pdb.gz looking for model 1 # Found a chain break before 120 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try22-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 120 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try23-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 102 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try23-opt1.pdb.gz looking for model 1 # Found a chain break before 102 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try23-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 119 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try23-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 119 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try23-opt2.pdb.gz looking for model 1 # Found a chain break before 128 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try23-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 128 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try24-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try24-opt1.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try24-opt2.gromacs0.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0307.try24-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0307.try24-opt2.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try24-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try25-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 104 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try25-opt1.pdb.gz looking for model 1 # Found a chain break before 104 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try25-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 114 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try25-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 114 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try25-opt2.pdb.gz looking for model 1 # Found a chain break before 104 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try25-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 104 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try26-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 123 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try26-opt1.pdb.gz looking for model 1 # Found a chain break before 123 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try26-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try26-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try26-opt2.pdb.gz looking for model 1 # Found a chain break before 121 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try26-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 121 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try27-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 112 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try27-opt1.pdb.gz looking for model 1 # Found a chain break before 112 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try27-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 129 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try27-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 129 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try27-opt2.pdb.gz looking for model 1 # Found a chain break before 121 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try27-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 121 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try28-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 121 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try28-opt1.pdb.gz looking for model 1 # Found a chain break before 121 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try28-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 102 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try28-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 102 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try28-opt2.pdb.gz looking for model 1 # Found a chain break before 121 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try28-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 121 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try29-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 121 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try29-opt1.pdb.gz looking for model 1 # Found a chain break before 121 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try29-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 129 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try29-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 129 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try29-opt2.pdb.gz looking for model 1 # Found a chain break before 121 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try29-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 121 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try3-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 98 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try3-opt1.pdb.gz looking for model 1 # Found a chain break before 98 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try3-opt2.gromacs0.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0307.try3-opt2.pdb.gz looking for model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try3-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try4-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 126 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try4-opt1.pdb.gz looking for model 1 # Found a chain break before 126 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try4-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try4-opt2.pdb.gz looking for model 1 # Found a chain break before 126 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try4-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 126 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try5-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try5-opt1.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try5-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try5-opt2.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try5-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try7-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try7-opt1.pdb.gz looking for model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try7-opt2.gromacs0.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0307.try7-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0307.try7-opt2.pdb.gz looking for model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try7-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try8-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 114 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try8-opt1.pdb.gz looking for model 1 # Found a chain break before 114 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try8-opt2.gromacs0.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0307.try8-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0307.try8-opt2.pdb.gz looking for model 1 # Found a chain break before 114 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try8-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 114 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try9-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 102 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try9-opt1.pdb.gz looking for model 1 # Found a chain break before 102 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try9-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try9-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try9-opt2.pdb.gz looking for model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try9-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file edit2.pdb.gz looking for model 1 # Found a chain break before 129 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file edit3.pdb.gz looking for model 1 # Found a chain break before 129 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file edit9.pdb.gz looking for model 1 # Found a chain break before 129 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS1 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_6207521.pdb -s /var/tmp/to_scwrl_6207521.seq -o /var/tmp/from_scwrl_6207521.pdb > /var/tmp/scwrl_6207521.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_6207521.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 T0307 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS2 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_1026515630.pdb -s /var/tmp/to_scwrl_1026515630.seq -o /var/tmp/from_scwrl_1026515630.pdb > /var/tmp/scwrl_1026515630.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1026515630.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 T0307 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS3 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_1883063870.pdb -s /var/tmp/to_scwrl_1883063870.seq -o /var/tmp/from_scwrl_1883063870.pdb > /var/tmp/scwrl_1883063870.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1883063870.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 T0307 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS4 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_1695538676.pdb -s /var/tmp/to_scwrl_1695538676.seq -o /var/tmp/from_scwrl_1695538676.pdb > /var/tmp/scwrl_1695538676.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1695538676.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 T0307 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS5 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_2067288146.pdb -s /var/tmp/to_scwrl_2067288146.seq -o /var/tmp/from_scwrl_2067288146.pdb > /var/tmp/scwrl_2067288146.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2067288146.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 T0307 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_RECOM_TS1 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_1349380181.pdb -s /var/tmp/to_scwrl_1349380181.seq -o /var/tmp/from_scwrl_1349380181.pdb > /var/tmp/scwrl_1349380181.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1349380181.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_RECOM_TS1-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_TS1 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_954416969.pdb -s /var/tmp/to_scwrl_954416969.seq -o /var/tmp/from_scwrl_954416969.pdb > /var/tmp/scwrl_954416969.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_954416969.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_TS1-scwrl # ReadConformPDB reading from PDB file servers/3Dpro_TS1.pdb.gz looking for model 1 # Found a chain break before 119 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS1 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_1156040737.pdb -s /var/tmp/to_scwrl_1156040737.seq -o /var/tmp/from_scwrl_1156040737.pdb > /var/tmp/scwrl_1156040737.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1156040737.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 85 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS2 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_2013888936.pdb -s /var/tmp/to_scwrl_2013888936.seq -o /var/tmp/from_scwrl_2013888936.pdb > /var/tmp/scwrl_2013888936.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2013888936.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 40 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS3 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_1967295374.pdb -s /var/tmp/to_scwrl_1967295374.seq -o /var/tmp/from_scwrl_1967295374.pdb > /var/tmp/scwrl_1967295374.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1967295374.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 87 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS4 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_1392643797.pdb -s /var/tmp/to_scwrl_1392643797.seq -o /var/tmp/from_scwrl_1392643797.pdb > /var/tmp/scwrl_1392643797.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1392643797.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 82 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS5 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_1593050613.pdb -s /var/tmp/to_scwrl_1593050613.seq -o /var/tmp/from_scwrl_1593050613.pdb > /var/tmp/scwrl_1593050613.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1593050613.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 87 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS1 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_1349153193.pdb -s /var/tmp/to_scwrl_1349153193.seq -o /var/tmp/from_scwrl_1349153193.pdb > /var/tmp/scwrl_1349153193.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1349153193.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 82 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS2 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_106367436.pdb -s /var/tmp/to_scwrl_106367436.seq -o /var/tmp/from_scwrl_106367436.pdb > /var/tmp/scwrl_106367436.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_106367436.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 129 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS3 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_1831273057.pdb -s /var/tmp/to_scwrl_1831273057.seq -o /var/tmp/from_scwrl_1831273057.pdb > /var/tmp/scwrl_1831273057.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1831273057.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 86 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS4 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_2050722794.pdb -s /var/tmp/to_scwrl_2050722794.seq -o /var/tmp/from_scwrl_2050722794.pdb > /var/tmp/scwrl_2050722794.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2050722794.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 113 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS5 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_1671194870.pdb -s /var/tmp/to_scwrl_1671194870.seq -o /var/tmp/from_scwrl_1671194870.pdb > /var/tmp/scwrl_1671194870.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1671194870.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 # naming current conformation BayesHH_TS1 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_473575303.pdb -s /var/tmp/to_scwrl_473575303.seq -o /var/tmp/from_scwrl_473575303.pdb > /var/tmp/scwrl_473575303.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_473575303.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 132 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS1 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_1333354651.pdb -s /var/tmp/to_scwrl_1333354651.seq -o /var/tmp/from_scwrl_1333354651.pdb > /var/tmp/scwrl_1333354651.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1333354651.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 # naming current conformation Bilab-ENABLE_TS2 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_1746551361.pdb -s /var/tmp/to_scwrl_1746551361.seq -o /var/tmp/from_scwrl_1746551361.pdb > /var/tmp/scwrl_1746551361.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1746551361.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 132 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS3 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_574836354.pdb -s /var/tmp/to_scwrl_574836354.seq -o /var/tmp/from_scwrl_574836354.pdb > /var/tmp/scwrl_574836354.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_574836354.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 # naming current conformation Bilab-ENABLE_TS4 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_1528633719.pdb -s /var/tmp/to_scwrl_1528633719.seq -o /var/tmp/from_scwrl_1528633719.pdb > /var/tmp/scwrl_1528633719.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1528633719.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 132 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS5 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_519818619.pdb -s /var/tmp/to_scwrl_519818619.seq -o /var/tmp/from_scwrl_519818619.pdb > /var/tmp/scwrl_519818619.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_519818619.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 122 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS1 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_751482443.pdb -s /var/tmp/to_scwrl_751482443.seq -o /var/tmp/from_scwrl_751482443.pdb > /var/tmp/scwrl_751482443.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_751482443.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS1-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS2.pdb.gz looking for model 1 # Found a chain break before 122 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS2 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_445604979.pdb -s /var/tmp/to_scwrl_445604979.seq -o /var/tmp/from_scwrl_445604979.pdb > /var/tmp/scwrl_445604979.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_445604979.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS2-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS3.pdb.gz looking for model 1 # Found a chain break before 128 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS3 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_1095646919.pdb -s /var/tmp/to_scwrl_1095646919.seq -o /var/tmp/from_scwrl_1095646919.pdb > /var/tmp/scwrl_1095646919.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1095646919.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS3-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS4.pdb.gz looking for model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS4 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_1991759958.pdb -s /var/tmp/to_scwrl_1991759958.seq -o /var/tmp/from_scwrl_1991759958.pdb > /var/tmp/scwrl_1991759958.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1991759958.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS4-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS5.pdb.gz looking for model 1 # Found a chain break before 119 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS5 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_720941407.pdb -s /var/tmp/to_scwrl_720941407.seq -o /var/tmp/from_scwrl_720941407.pdb > /var/tmp/scwrl_720941407.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_720941407.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS5-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS1.pdb.gz looking for model 1 # Found a chain break before 119 # copying to AlignedFragments data structure # naming current conformation CaspIta-FOX_TS1 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_1906853844.pdb -s /var/tmp/to_scwrl_1906853844.seq -o /var/tmp/from_scwrl_1906853844.pdb > /var/tmp/scwrl_1906853844.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1906853844.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 T0307 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS2 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_1337357239.pdb -s /var/tmp/to_scwrl_1337357239.seq -o /var/tmp/from_scwrl_1337357239.pdb > /var/tmp/scwrl_1337357239.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1337357239.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 T0307 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS3 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_111551124.pdb -s /var/tmp/to_scwrl_111551124.seq -o /var/tmp/from_scwrl_111551124.pdb > /var/tmp/scwrl_111551124.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_111551124.pdb # conformation set from SCWRL output # naming current conformation CaspIta-FOX_TS3-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS4 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_1913061366.pdb -s /var/tmp/to_scwrl_1913061366.seq -o /var/tmp/from_scwrl_1913061366.pdb > /var/tmp/scwrl_1913061366.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1913061366.pdb # conformation set from SCWRL output # naming current conformation CaspIta-FOX_TS4-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS5.pdb.gz looking for model 1 WARNING: atoms too close: (T0307)V93.C and (T0307)I94.N only 0.000 apart, marking (T0307)I94.N as missing WARNING: atoms too close: (T0307)I94.N and (T0307)I94.CA only 0.000 apart, marking (T0307)I94.CA as missing WARNING: atoms too close: (T0307)V93.C and (T0307)I94.CA only 0.000 apart, marking (T0307)I94.CA as missing WARNING: atoms too close: (T0307)I94.CA and (T0307)I94.CB only 0.000 apart, marking (T0307)I94.CB as missing WARNING: atoms too close: (T0307)I94.N and (T0307)I94.CB only 0.000 apart, marking (T0307)I94.CB as missing WARNING: atoms too close: (T0307)V93.C and (T0307)I94.CB only 0.000 apart, marking (T0307)I94.CB as missing WARNING: atoms too close: (T0307)I94.CB and (T0307)I94.CG1 only 0.000 apart, marking (T0307)I94.CG1 as missing WARNING: atoms too close: (T0307)I94.CA and (T0307)I94.CG1 only 0.000 apart, marking (T0307)I94.CG1 as missing WARNING: atoms too close: (T0307)I94.N and (T0307)I94.CG1 only 0.000 apart, marking (T0307)I94.CG1 as missing WARNING: atoms too close: (T0307)V93.C and (T0307)I94.CG1 only 0.000 apart, marking (T0307)I94.CG1 as missing WARNING: atoms too close: (T0307)I94.CG1 and (T0307)I94.CG2 only 0.000 apart, marking (T0307)I94.CG2 as missing WARNING: atoms too close: (T0307)I94.CB and (T0307)I94.CG2 only 0.000 apart, marking (T0307)I94.CG2 as missing WARNING: atoms too close: (T0307)I94.CA and (T0307)I94.CG2 only 0.000 apart, marking (T0307)I94.CG2 as missing WARNING: atoms too close: (T0307)I94.N and (T0307)I94.CG2 only 0.000 apart, marking (T0307)I94.CG2 as missing WARNING: atoms too close: (T0307)V93.C and (T0307)I94.CG2 only 0.000 apart, marking (T0307)I94.CG2 as missing WARNING: atoms too close: (T0307)I94.CG2 and (T0307)I94.CD1 only 0.000 apart, marking (T0307)I94.CD1 as missing WARNING: atoms too close: (T0307)I94.CG1 and (T0307)I94.CD1 only 0.000 apart, marking (T0307)I94.CD1 as missing WARNING: atoms too close: (T0307)I94.CB and (T0307)I94.CD1 only 0.000 apart, marking (T0307)I94.CD1 as missing WARNING: atoms too close: (T0307)I94.CA and (T0307)I94.CD1 only 0.000 apart, marking (T0307)I94.CD1 as missing WARNING: atoms too close: (T0307)I94.N and (T0307)I94.CD1 only 0.000 apart, marking (T0307)I94.CD1 as missing WARNING: atoms too close: (T0307)V93.C and (T0307)I94.CD1 only 0.000 apart, marking (T0307)I94.CD1 as missing WARNING: atoms too close: (T0307)I94.CD1 and (T0307)I94.O only 0.000 apart, marking (T0307)I94.O as missing WARNING: atoms too close: (T0307)I94.CG2 and (T0307)I94.O only 0.000 apart, marking (T0307)I94.O as missing WARNING: atoms too close: (T0307)I94.CG1 and (T0307)I94.O only 0.000 apart, marking (T0307)I94.O as missing WARNING: atoms too close: (T0307)I94.CB and (T0307)I94.O only 0.000 apart, marking (T0307)I94.O as missing WARNING: atoms too close: (T0307)I94.CA and (T0307)I94.O only 0.000 apart, marking (T0307)I94.O as missing WARNING: atoms too close: (T0307)I94.N and (T0307)I94.O only 0.000 apart, marking (T0307)I94.O as missing WARNING: atoms too close: (T0307)V93.C and (T0307)I94.O only 0.000 apart, marking (T0307)I94.O as missing WARNING: atoms too close: (T0307)I94.O and (T0307)I94.C only 0.000 apart, marking (T0307)I94.C as missing WARNING: atoms too close: (T0307)I94.CD1 and (T0307)I94.C only 0.000 apart, marking (T0307)I94.C as missing WARNING: atoms too close: (T0307)I94.CG2 and (T0307)I94.C only 0.000 apart, marking (T0307)I94.C as missing WARNING: atoms too close: (T0307)I94.CG1 and (T0307)I94.C only 0.000 apart, marking (T0307)I94.C as missing WARNING: atoms too close: (T0307)I94.CB and (T0307)I94.C only 0.000 apart, marking (T0307)I94.C as missing WARNING: atoms too close: (T0307)I94.CA and (T0307)I94.C only 0.000 apart, marking (T0307)I94.C as missing WARNING: atoms too close: (T0307)I94.N and (T0307)I94.C only 0.000 apart, marking (T0307)I94.C as missing WARNING: atoms too close: (T0307)V93.C and (T0307)I94.C only 0.000 apart, marking (T0307)I94.C as missing WARNING: atoms too close: (T0307)I94.C and (T0307)M95.N only 0.000 apart, marking (T0307)I94.C as missing WARNING: atoms too close: (T0307)I94.O and (T0307)M95.N only 0.000 apart, marking (T0307)I94.O as missing WARNING: atoms too close: (T0307)I94.CD1 and (T0307)M95.N only 0.000 apart, marking (T0307)I94.CD1 as missing WARNING: atoms too close: (T0307)I94.CG2 and (T0307)M95.N only 0.000 apart, marking (T0307)I94.CG2 as missing WARNING: atoms too close: (T0307)I94.CG1 and (T0307)M95.N only 0.000 apart, marking (T0307)I94.CG1 as missing WARNING: atoms too close: (T0307)I94.CB and (T0307)M95.N only 0.000 apart, marking (T0307)I94.CB as missing WARNING: atoms too close: (T0307)I94.CA and (T0307)M95.N only 0.000 apart, marking (T0307)I94.CA as missing WARNING: atoms too close: (T0307)I94.N and (T0307)M95.N only 0.000 apart, marking (T0307)I94.N as missing WARNING: atoms too close: (T0307)V93.C and (T0307)M95.N only 0.000 apart, marking (T0307)M95.N as missing WARNING: atoms too close: (T0307)M95.N and (T0307)M95.CA only 0.000 apart, marking (T0307)M95.CA as missing WARNING: atoms too close: (T0307)I94.C and (T0307)M95.CA only 0.000 apart, marking (T0307)M95.CA as missing WARNING: atoms too close: (T0307)I94.O and (T0307)M95.CA only 0.000 apart, marking (T0307)M95.CA as missing WARNING: atoms too close: (T0307)I94.CD1 and (T0307)M95.CA only 0.000 apart, marking (T0307)M95.CA as missing WARNING: atoms too close: (T0307)I94.CG2 and (T0307)M95.CA only 0.000 apart, marking (T0307)M95.CA as missing WARNING: atoms too close: (T0307)I94.CG1 and (T0307)M95.CA only 0.000 apart, marking (T0307)M95.CA as missing WARNING: atoms too close: (T0307)I94.CB and (T0307)M95.CA only 0.000 apart, marking (T0307)M95.CA as missing WARNING: atoms too close: (T0307)I94.CA and (T0307)M95.CA only 0.000 apart, marking (T0307)M95.CA as missing WARNING: atoms too close: (T0307)I94.N and (T0307)M95.CA only 0.000 apart, marking (T0307)M95.CA as missing WARNING: atoms too close: (T0307)V93.C and (T0307)M95.CA only 0.000 apart, marking (T0307)M95.CA as missing WARNING: atoms too close: (T0307)M95.CA and (T0307)M95.CB only 0.000 apart, marking (T0307)M95.CB as missing WARNING: atoms too close: (T0307)M95.N and (T0307)M95.CB only 0.000 apart, marking (T0307)M95.CB as missing WARNING: atoms too close: (T0307)I94.C and (T0307)M95.CB only 0.000 apart, marking (T0307)M95.CB as missing WARNING: atoms too close: (T0307)I94.O and (T0307)M95.CB only 0.000 apart, marking (T0307)M95.CB as missing WARNING: atoms too close: (T0307)I94.CD1 and (T0307)M95.CB only 0.000 apart, marking (T0307)M95.CB as missing WARNING: atoms too close: (T0307)I94.CG2 and (T0307)M95.CB only 0.000 apart, marking (T0307)M95.CB as missing WARNING: atoms too close: (T0307)I94.CG1 and (T0307)M95.CB only 0.000 apart, marking (T0307)M95.CB as missing WARNING: atoms too close: (T0307)I94.CB and (T0307)M95.CB only 0.000 apart, marking (T0307)M95.CB as missing WARNING: atoms too close: (T0307)I94.CA and (T0307)M95.CB only 0.000 apart, marking (T0307)M95.CB as missing WARNING: atoms too close: (T0307)I94.N and (T0307)M95.CB only 0.000 apart, marking (T0307)M95.CB as missing WARNING: atoms too close: (T0307)V93.C and (T0307)M95.CB only 0.000 apart, marking (T0307)M95.CB as missing WARNING: atoms too close: (T0307)M95.CB and (T0307)M95.CG only 0.000 apart, marking (T0307)M95.CG as missing WARNING: atoms too close: (T0307)M95.CA and (T0307)M95.CG only 0.000 apart, marking (T0307)M95.CG as missing WARNING: atoms too close: (T0307)M95.N and (T0307)M95.CG only 0.000 apart, marking (T0307)M95.CG as missing WARNING: atoms too close: (T0307)I94.C and (T0307)M95.CG only 0.000 apart, marking (T0307)M95.CG as missing WARNING: atoms too close: (T0307)I94.O and (T0307)M95.CG only 0.000 apart, marking (T0307)M95.CG as missing WARNING: atoms too close: (T0307)I94.CD1 and (T0307)M95.CG only 0.000 apart, marking (T0307)M95.CG as missing WARNING: atoms too close: (T0307)I94.CG2 and (T0307)M95.CG only 0.000 apart, marking (T0307)M95.CG as missing WARNING: atoms too close: (T0307)I94.CG1 and (T0307)M95.CG only 0.000 apart, marking (T0307)M95.CG as missing WARNING: atoms too close: (T0307)I94.CB and (T0307)M95.CG only 0.000 apart, marking (T0307)M95.CG as missing WARNING: atoms too close: (T0307)I94.CA and (T0307)M95.CG only 0.000 apart, marking (T0307)M95.CG as missing WARNING: atoms too close: (T0307)I94.N and (T0307)M95.CG only 0.000 apart, marking (T0307)M95.CG as missing WARNING: atoms too close: (T0307)V93.C and (T0307)M95.CG only 0.000 apart, marking (T0307)M95.CG as missing WARNING: atoms too close: (T0307)M95.CG and (T0307)M95.SD only 0.000 apart, marking (T0307)M95.SD as missing WARNING: atoms too close: (T0307)M95.CB and (T0307)M95.SD only 0.000 apart, marking (T0307)M95.SD as missing WARNING: atoms too close: (T0307)M95.CA and (T0307)M95.SD only 0.000 apart, marking (T0307)M95.SD as missing WARNING: atoms too close: (T0307)M95.N and (T0307)M95.SD only 0.000 apart, marking (T0307)M95.SD as missing WARNING: atoms too close: (T0307)I94.C and (T0307)M95.SD only 0.000 apart, marking (T0307)M95.SD as missing WARNING: atoms too close: (T0307)I94.O and (T0307)M95.SD only 0.000 apart, marking (T0307)M95.SD as missing WARNING: atoms too close: (T0307)I94.CD1 and (T0307)M95.SD only 0.000 apart, marking (T0307)M95.SD as missing WARNING: atoms too close: (T0307)I94.CG2 and (T0307)M95.SD only 0.000 apart, marking (T0307)M95.SD as missing WARNING: atoms too close: (T0307)I94.CG1 and (T0307)M95.SD only 0.000 apart, marking (T0307)M95.SD as missing WARNING: atoms too close: (T0307)I94.CB and (T0307)M95.SD only 0.000 apart, marking (T0307)M95.SD as missing WARNING: atoms too close: (T0307)I94.CA and (T0307)M95.SD only 0.000 apart, marking (T0307)M95.SD as missing WARNING: atoms too close: (T0307)I94.N and (T0307)M95.SD only 0.000 apart, marking (T0307)M95.SD as missing WARNING: atoms too close: (T0307)V93.C and (T0307)M95.SD only 0.000 apart, marking (T0307)M95.SD as missing WARNING: atoms too close: (T0307)M95.SD and (T0307)M95.CE only 0.000 apart, marking (T0307)M95.CE as missing WARNING: atoms too close: (T0307)M95.CG and (T0307)M95.CE only 0.000 apart, marking (T0307)M95.CE as missing WARNING: atoms too close: (T0307)M95.CB and (T0307)M95.CE only 0.000 apart, marking (T0307)M95.CE as missing WARNING: atoms too close: (T0307)M95.CA and (T0307)M95.CE only 0.000 apart, marking (T0307)M95.CE as missing WARNING: atoms too close: (T0307)M95.N and (T0307)M95.CE only 0.000 apart, marking (T0307)M95.CE as missing WARNING: atoms too close: (T0307)I94.C and (T0307)M95.CE only 0.000 apart, marking (T0307)M95.CE as missing WARNING: atoms too close: (T0307)I94.O and (T0307)M95.CE only 0.000 apart, marking (T0307)M95.CE as missing WARNING: atoms too close: (T0307)I94.CD1 and (T0307)M95.CE only 0.000 apart, marking (T0307)M95.CE as missing WARNING: atoms too close: (T0307)I94.CG2 and (T0307)M95.CE only 0.000 apart, marking (T0307)M95.CE as missing WARNING: atoms too close: (T0307)I94.CG1 and (T0307)M95.CE only 0.000 apart, marking (T0307)M95.CE as missing WARNING: atoms too close: (T0307)I94.CB and (T0307)M95.CE only 0.000 apart, marking (T0307)M95.CE as missing WARNING: atoms too close: (T0307)I94.CA and (T0307)M95.CE only 0.000 apart, marking (T0307)M95.CE as missing WARNING: atoms too close: (T0307)I94.N and (T0307)M95.CE only 0.000 apart, marking (T0307)M95.CE as missing WARNING: atoms too close: (T0307)V93.C and (T0307)M95.CE only 0.000 apart, marking (T0307)M95.CE as missing WARNING: atoms too close: (T0307)M95.CE and (T0307)M95.O only 0.000 apart, marking (T0307)M95.O as missing WARNING: atoms too close: (T0307)M95.SD and (T0307)M95.O only 0.000 apart, marking (T0307)M95.O as missing WARNING: atoms too close: (T0307)M95.CG and (T0307)M95.O only 0.000 apart, marking (T0307)M95.O as missing WARNING: atoms too close: (T0307)M95.CB and (T0307)M95.O only 0.000 apart, marking (T0307)M95.O as missing WARNING: atoms too close: (T0307)M95.CA and (T0307)M95.O only 0.000 apart, marking (T0307)M95.O as missing WARNING: atoms too close: (T0307)M95.N and (T0307)M95.O only 0.000 apart, marking (T0307)M95.O as missing WARNING: atoms too close: (T0307)I94.C and (T0307)M95.O only 0.000 apart, marking (T0307)M95.O as missing WARNING: atoms too close: (T0307)I94.O and (T0307)M95.O only 0.000 apart, marking (T0307)M95.O as missing WARNING: atoms too close: (T0307)I94.CD1 and (T0307)M95.O only 0.000 apart, marking (T0307)M95.O as missing WARNING: atoms too close: (T0307)I94.CG2 and (T0307)M95.O only 0.000 apart, marking (T0307)M95.O as missing WARNING: atoms too close: (T0307)I94.CG1 and (T0307)M95.O only 0.000 apart, marking (T0307)M95.O as missing WARNING: atoms too close: (T0307)I94.CB and (T0307)M95.O only 0.000 apart, marking (T0307)M95.O as missing WARNING: atoms too close: (T0307)I94.CA and (T0307)M95.O only 0.000 apart, marking (T0307)M95.O as missing WARNING: atoms too close: (T0307)I94.N and (T0307)M95.O only 0.000 apart, marking (T0307)M95.O as missing WARNING: atoms too close: (T0307)V93.C and (T0307)M95.O only 0.000 apart, marking (T0307)M95.O as missing WARNING: atoms too close: (T0307)M95.O and (T0307)M95.C only 0.000 apart, marking (T0307)M95.C as missing WARNING: atoms too close: (T0307)M95.CE and (T0307)M95.C only 0.000 apart, marking (T0307)M95.C as missing WARNING: atoms too close: (T0307)M95.SD and (T0307)M95.C only 0.000 apart, marking (T0307)M95.C as missing WARNING: atoms too close: (T0307)M95.CG and (T0307)M95.C only 0.000 apart, marking (T0307)M95.C as missing WARNING: atoms too close: (T0307)M95.CB and (T0307)M95.C only 0.000 apart, marking (T0307)M95.C as missing WARNING: atoms too close: (T0307)M95.CA and (T0307)M95.C only 0.000 apart, marking (T0307)M95.C as missing WARNING: atoms too close: (T0307)M95.N and (T0307)M95.C only 0.000 apart, marking (T0307)M95.C as missing WARNING: atoms too close: (T0307)I94.C and (T0307)M95.C only 0.000 apart, marking (T0307)M95.C as missing WARNING: atoms too close: (T0307)I94.O and (T0307)M95.C only 0.000 apart, marking (T0307)M95.C as missing WARNING: atoms too close: (T0307)I94.CD1 and (T0307)M95.C only 0.000 apart, marking (T0307)M95.C as missing WARNING: atoms too close: (T0307)I94.CG2 and (T0307)M95.C only 0.000 apart, marking (T0307)M95.C as missing WARNING: atoms too close: (T0307)I94.CG1 and (T0307)M95.C only 0.000 apart, marking (T0307)M95.C as missing WARNING: atoms too close: (T0307)I94.CB and (T0307)M95.C only 0.000 apart, marking (T0307)M95.C as missing WARNING: atoms too close: (T0307)I94.CA and (T0307)M95.C only 0.000 apart, marking (T0307)M95.C as missing WARNING: atoms too close: (T0307)I94.N and (T0307)M95.C only 0.000 apart, marking (T0307)M95.C as missing WARNING: atoms too close: (T0307)V93.C and (T0307)M95.C only 0.000 apart, marking (T0307)M95.C as missing WARNING: atoms too close: (T0307)M95.C and (T0307)A96.N only 0.000 apart, marking (T0307)M95.C as missing WARNING: atoms too close: (T0307)M95.O and (T0307)A96.N only 0.000 apart, marking (T0307)M95.O as missing WARNING: atoms too close: (T0307)M95.CE and (T0307)A96.N only 0.000 apart, marking (T0307)M95.CE as missing WARNING: atoms too close: (T0307)M95.SD and (T0307)A96.N only 0.000 apart, marking (T0307)M95.SD as missing WARNING: atoms too close: (T0307)M95.CG and (T0307)A96.N only 0.000 apart, marking (T0307)M95.CG as missing WARNING: atoms too close: (T0307)M95.CB and (T0307)A96.N only 0.000 apart, marking (T0307)M95.CB as missing WARNING: atoms too close: (T0307)M95.CA and (T0307)A96.N only 0.000 apart, marking (T0307)M95.CA as missing WARNING: atoms too close: (T0307)M95.N and (T0307)A96.N only 0.000 apart, marking (T0307)M95.N as missing WARNING: atoms too close: (T0307)I94.C and (T0307)A96.N only 0.000 apart, marking (T0307)I94.C as missing WARNING: atoms too close: (T0307)I94.O and (T0307)A96.N only 0.000 apart, marking (T0307)I94.O as missing WARNING: atoms too close: (T0307)I94.CD1 and (T0307)A96.N only 0.000 apart, marking (T0307)I94.CD1 as missing WARNING: atoms too close: (T0307)I94.CG2 and (T0307)A96.N only 0.000 apart, marking (T0307)I94.CG2 as missing WARNING: atoms too close: (T0307)I94.CG1 and (T0307)A96.N only 0.000 apart, marking (T0307)I94.CG1 as missing WARNING: atoms too close: (T0307)I94.CB and (T0307)A96.N only 0.000 apart, marking (T0307)I94.CB as missing WARNING: atoms too close: (T0307)I94.CA and (T0307)A96.N only 0.000 apart, marking (T0307)I94.CA as missing WARNING: atoms too close: (T0307)I94.N and (T0307)A96.N only 0.000 apart, marking (T0307)I94.N as missing WARNING: atoms too close: (T0307)V93.C and (T0307)A96.N only 0.000 apart, marking (T0307)A96.N as missing WARNING: atoms too close: (T0307)A96.N and (T0307)A96.CA only 0.000 apart, marking (T0307)A96.CA as missing WARNING: atoms too close: (T0307)M95.C and (T0307)A96.CA only 0.000 apart, marking (T0307)A96.CA as missing WARNING: atoms too close: (T0307)M95.O and (T0307)A96.CA only 0.000 apart, marking (T0307)A96.CA as missing WARNING: atoms too close: (T0307)M95.CE and (T0307)A96.CA only 0.000 apart, marking (T0307)A96.CA as missing WARNING: atoms too close: (T0307)M95.SD and (T0307)A96.CA only 0.000 apart, marking (T0307)A96.CA as missing WARNING: atoms too close: (T0307)M95.CG and (T0307)A96.CA only 0.000 apart, marking (T0307)A96.CA as missing WARNING: atoms too close: (T0307)M95.CB and (T0307)A96.CA only 0.000 apart, marking (T0307)A96.CA as missing WARNING: atoms too close: (T0307)M95.CA and (T0307)A96.CA only 0.000 apart, marking (T0307)A96.CA as missing WARNING: atoms too close: (T0307)M95.N and (T0307)A96.CA only 0.000 apart, marking (T0307)A96.CA as missing WARNING: atoms too close: (T0307)I94.C and (T0307)A96.CA only 0.000 apart, marking (T0307)A96.CA as missing WARNING: atoms too close: (T0307)I94.O and (T0307)A96.CA only 0.000 apart, marking (T0307)A96.CA as missing WARNING: atoms too close: (T0307)I94.CD1 and (T0307)A96.CA only 0.000 apart, marking (T0307)A96.CA as missing WARNING: atoms too close: (T0307)I94.CG2 and (T0307)A96.CA only 0.000 apart, marking (T0307)A96.CA as missing WARNING: atoms too close: (T0307)I94.CG1 and (T0307)A96.CA only 0.000 apart, marking (T0307)A96.CA as missing WARNING: atoms too close: (T0307)I94.CB and (T0307)A96.CA only 0.000 apart, marking (T0307)A96.CA as missing WARNING: atoms too close: (T0307)I94.CA and (T0307)A96.CA only 0.000 apart, marking (T0307)A96.CA as missing WARNING: atoms too close: (T0307)I94.N and (T0307)A96.CA only 0.000 apart, marking (T0307)A96.CA as missing WARNING: atoms too close: (T0307)V93.C and (T0307)A96.CA only 0.000 apart, marking (T0307)A96.CA as missing WARNING: atoms too close: (T0307)A96.CA and (T0307)A96.CB only 0.000 apart, marking (T0307)A96.CB as missing WARNING: atoms too close: (T0307)A96.N and (T0307)A96.CB only 0.000 apart, marking (T0307)A96.CB as missing WARNING: atoms too close: (T0307)M95.C and (T0307)A96.CB only 0.000 apart, marking (T0307)A96.CB as missing WARNING: atoms too close: (T0307)M95.O and (T0307)A96.CB only 0.000 apart, marking (T0307)A96.CB as missing WARNING: atoms too close: (T0307)M95.CE and (T0307)A96.CB only 0.000 apart, marking (T0307)A96.CB as missing WARNING: atoms too close: (T0307)M95.SD and (T0307)A96.CB only 0.000 apart, marking (T0307)A96.CB as missing WARNING: atoms too close: (T0307)M95.CG and (T0307)A96.CB only 0.000 apart, marking (T0307)A96.CB as missing WARNING: atoms too close: (T0307)M95.CB and (T0307)A96.CB only 0.000 apart, marking (T0307)A96.CB as missing WARNING: atoms too close: (T0307)M95.CA and (T0307)A96.CB only 0.000 apart, marking (T0307)A96.CB as missing WARNING: atoms too close: (T0307)M95.N and (T0307)A96.CB only 0.000 apart, marking (T0307)A96.CB as missing WARNING: atoms too close: (T0307)I94.C and (T0307)A96.CB only 0.000 apart, marking (T0307)A96.CB as missing WARNING: atoms too close: (T0307)I94.O and (T0307)A96.CB only 0.000 apart, marking (T0307)A96.CB as missing WARNING: atoms too close: (T0307)I94.CD1 and (T0307)A96.CB only 0.000 apart, marking (T0307)A96.CB as missing WARNING: atoms too close: (T0307)I94.CG2 and (T0307)A96.CB only 0.000 apart, marking (T0307)A96.CB as missing WARNING: atoms too close: (T0307)I94.CG1 and (T0307)A96.CB only 0.000 apart, marking (T0307)A96.CB as missing WARNING: atoms too close: (T0307)I94.CB and (T0307)A96.CB only 0.000 apart, marking (T0307)A96.CB as missing WARNING: atoms too close: (T0307)I94.CA and (T0307)A96.CB only 0.000 apart, marking (T0307)A96.CB as missing WARNING: atoms too close: (T0307)I94.N and (T0307)A96.CB only 0.000 apart, marking (T0307)A96.CB as missing WARNING: atoms too close: (T0307)V93.C and (T0307)A96.CB only 0.000 apart, marking (T0307)A96.CB as missing WARNING: atoms too close: (T0307)A96.CB and (T0307)A96.O only 0.000 apart, marking (T0307)A96.O as missing WARNING: atoms too close: (T0307)A96.CA and (T0307)A96.O only 0.000 apart, marking (T0307)A96.O as missing WARNING: atoms too close: (T0307)A96.N and (T0307)A96.O only 0.000 apart, marking (T0307)A96.O as missing WARNING: atoms too close: (T0307)M95.C and (T0307)A96.O only 0.000 apart, marking (T0307)A96.O as missing WARNING: atoms too close: (T0307)M95.O and (T0307)A96.O only 0.000 apart, marking (T0307)A96.O as missing WARNING: atoms too close: (T0307)M95.CE and (T0307)A96.O only 0.000 apart, marking (T0307)A96.O as missing WARNING: atoms too close: (T0307)M95.SD and (T0307)A96.O only 0.000 apart, marking (T0307)A96.O as missing WARNING: atoms too close: (T0307)M95.CG and (T0307)A96.O only 0.000 apart, marking (T0307)A96.O as missing WARNING: atoms too close: (T0307)M95.CB and (T0307)A96.O only 0.000 apart, marking (T0307)A96.O as missing WARNING: atoms too close: (T0307)M95.CA and (T0307)A96.O only 0.000 apart, marking (T0307)A96.O as missing WARNING: atoms too close: (T0307)M95.N and (T0307)A96.O only 0.000 apart, marking (T0307)A96.O as missing WARNING: atoms too close: (T0307)I94.C and (T0307)A96.O only 0.000 apart, marking (T0307)A96.O as missing WARNING: atoms too close: (T0307)I94.O and (T0307)A96.O only 0.000 apart, marking (T0307)A96.O as missing WARNING: atoms too close: (T0307)I94.CD1 and (T0307)A96.O only 0.000 apart, marking (T0307)A96.O as missing WARNING: atoms too close: (T0307)I94.CG2 and (T0307)A96.O only 0.000 apart, marking (T0307)A96.O as missing WARNING: atoms too close: (T0307)I94.CG1 and (T0307)A96.O only 0.000 apart, marking (T0307)A96.O as missing WARNING: atoms too close: (T0307)I94.CB and (T0307)A96.O only 0.000 apart, marking (T0307)A96.O as missing WARNING: atoms too close: (T0307)I94.CA and (T0307)A96.O only 0.000 apart, marking (T0307)A96.O as missing WARNING: atoms too close: (T0307)I94.N and (T0307)A96.O only 0.000 apart, marking (T0307)A96.O as missing WARNING: atoms too close: (T0307)V93.C and (T0307)A96.O only 0.000 apart, marking (T0307)A96.O as missing WARNING: atoms too close: (T0307)A96.O and (T0307)A96.C only 0.000 apart, marking (T0307)A96.C as missing WARNING: atoms too close: (T0307)A96.CB and (T0307)A96.C only 0.000 apart, marking (T0307)A96.C as missing WARNING: atoms too close: (T0307)A96.CA and (T0307)A96.C only 0.000 apart, marking (T0307)A96.C as missing WARNING: atoms too close: (T0307)A96.N and (T0307)A96.C only 0.000 apart, marking (T0307)A96.C as missing WARNING: atoms too close: (T0307)M95.C and (T0307)A96.C only 0.000 apart, marking (T0307)A96.C as missing WARNING: atoms too close: (T0307)M95.O and (T0307)A96.C only 0.000 apart, marking (T0307)A96.C as missing WARNING: atoms too close: (T0307)M95.CE and (T0307)A96.C only 0.000 apart, marking (T0307)A96.C as missing WARNING: atoms too close: (T0307)M95.SD and (T0307)A96.C only 0.000 apart, marking (T0307)A96.C as missing WARNING: atoms too close: (T0307)M95.CG and (T0307)A96.C only 0.000 apart, marking (T0307)A96.C as missing WARNING: atoms too close: (T0307)M95.CB and (T0307)A96.C only 0.000 apart, marking (T0307)A96.C as missing WARNING: atoms too close: (T0307)M95.CA and (T0307)A96.C only 0.000 apart, marking (T0307)A96.C as missing WARNING: atoms too close: (T0307)M95.N and (T0307)A96.C only 0.000 apart, marking (T0307)A96.C as missing WARNING: atoms too close: (T0307)I94.C and (T0307)A96.C only 0.000 apart, marking (T0307)A96.C as missing WARNING: atoms too close: (T0307)I94.O and (T0307)A96.C only 0.000 apart, marking (T0307)A96.C as missing WARNING: atoms too close: (T0307)I94.CD1 and (T0307)A96.C only 0.000 apart, marking (T0307)A96.C as missing WARNING: atoms too close: (T0307)I94.CG2 and (T0307)A96.C only 0.000 apart, marking (T0307)A96.C as missing WARNING: atoms too close: (T0307)I94.CG1 and (T0307)A96.C only 0.000 apart, marking (T0307)A96.C as missing WARNING: atoms too close: (T0307)I94.CB and (T0307)A96.C only 0.000 apart, marking (T0307)A96.C as missing WARNING: atoms too close: (T0307)I94.CA and (T0307)A96.C only 0.000 apart, marking (T0307)A96.C as missing WARNING: atoms too close: (T0307)I94.N and (T0307)A96.C only 0.000 apart, marking (T0307)A96.C as missing WARNING: atoms too close: (T0307)V93.C and (T0307)A96.C only 0.000 apart, marking (T0307)A96.C as missing WARNING: atoms too close: (T0307)A96.C and (T0307)S97.N only 0.000 apart, marking (T0307)A96.C as missing WARNING: atoms too close: (T0307)A96.O and (T0307)S97.N only 0.000 apart, marking (T0307)A96.O as missing WARNING: atoms too close: (T0307)A96.CB and (T0307)S97.N only 0.000 apart, marking (T0307)A96.CB as missing WARNING: atoms too close: (T0307)A96.CA and (T0307)S97.N only 0.000 apart, marking (T0307)A96.CA as missing WARNING: atoms too close: (T0307)A96.N and (T0307)S97.N only 0.000 apart, marking (T0307)A96.N as missing WARNING: atoms too close: (T0307)M95.C and (T0307)S97.N only 0.000 apart, marking (T0307)M95.C as missing WARNING: atoms too close: (T0307)M95.O and (T0307)S97.N only 0.000 apart, marking (T0307)M95.O as missing WARNING: atoms too close: (T0307)M95.CE and (T0307)S97.N only 0.000 apart, marking (T0307)M95.CE as missing WARNING: atoms too close: (T0307)M95.SD and (T0307)S97.N only 0.000 apart, marking (T0307)M95.SD as missing WARNING: atoms too close: (T0307)M95.CG and (T0307)S97.N only 0.000 apart, marking (T0307)M95.CG as missing WARNING: atoms too close: (T0307)M95.CB and (T0307)S97.N only 0.000 apart, marking (T0307)M95.CB as missing WARNING: atoms too close: (T0307)M95.CA and (T0307)S97.N only 0.000 apart, marking (T0307)M95.CA as missing WARNING: atoms too close: (T0307)M95.N and (T0307)S97.N only 0.000 apart, marking (T0307)M95.N as missing WARNING: atoms too close: (T0307)I94.C and (T0307)S97.N only 0.000 apart, marking (T0307)I94.C as missing WARNING: atoms too close: (T0307)I94.O and (T0307)S97.N only 0.000 apart, marking (T0307)I94.O as missing WARNING: atoms too close: (T0307)I94.CD1 and (T0307)S97.N only 0.000 apart, marking (T0307)I94.CD1 as missing WARNING: atoms too close: (T0307)I94.CG2 and (T0307)S97.N only 0.000 apart, marking (T0307)I94.CG2 as missing WARNING: atoms too close: (T0307)I94.CG1 and (T0307)S97.N only 0.000 apart, marking (T0307)I94.CG1 as missing WARNING: atoms too close: (T0307)I94.CB and (T0307)S97.N only 0.000 apart, marking (T0307)I94.CB as missing WARNING: atoms too close: (T0307)I94.CA and (T0307)S97.N only 0.000 apart, marking (T0307)I94.CA as missing WARNING: atoms too close: (T0307)I94.N and (T0307)S97.N only 0.000 apart, marking (T0307)I94.N as missing WARNING: atoms too close: (T0307)V93.C and (T0307)S97.N only 0.000 apart, marking (T0307)S97.N as missing WARNING: atoms too close: (T0307)S97.N and (T0307)S97.CA only 0.000 apart, marking (T0307)S97.CA as missing WARNING: atoms too close: (T0307)A96.C and (T0307)S97.CA only 0.000 apart, marking (T0307)S97.CA as missing WARNING: atoms too close: (T0307)A96.O and (T0307)S97.CA only 0.000 apart, marking (T0307)S97.CA as missing WARNING: atoms too close: (T0307)A96.CB and (T0307)S97.CA only 0.000 apart, marking (T0307)S97.CA as missing WARNING: atoms too close: (T0307)A96.CA and (T0307)S97.CA only 0.000 apart, marking (T0307)S97.CA as missing WARNING: atoms too close: (T0307)A96.N and (T0307)S97.CA only 0.000 apart, marking (T0307)S97.CA as missing WARNING: atoms too close: (T0307)M95.C and (T0307)S97.CA only 0.000 apart, marking (T0307)S97.CA as missing WARNING: atoms too close: (T0307)M95.O and (T0307)S97.CA only 0.000 apart, marking (T0307)S97.CA as missing WARNING: atoms too close: (T0307)M95.CE and (T0307)S97.CA only 0.000 apart, marking (T0307)S97.CA as missing WARNING: atoms too close: (T0307)M95.SD and (T0307)S97.CA only 0.000 apart, marking (T0307)S97.CA as missing WARNING: atoms too close: (T0307)M95.CG and (T0307)S97.CA only 0.000 apart, marking (T0307)S97.CA as missing WARNING: atoms too close: (T0307)M95.CB and (T0307)S97.CA only 0.000 apart, marking (T0307)S97.CA as missing WARNING: atoms too close: (T0307)M95.CA and (T0307)S97.CA only 0.000 apart, marking (T0307)S97.CA as missing WARNING: atoms too close: (T0307)M95.N and (T0307)S97.CA only 0.000 apart, marking (T0307)S97.CA as missing WARNING: atoms too close: (T0307)I94.C and (T0307)S97.CA only 0.000 apart, marking (T0307)S97.CA as missing WARNING: atoms too close: (T0307)I94.O and (T0307)S97.CA only 0.000 apart, marking (T0307)S97.CA as missing WARNING: atoms too close: (T0307)I94.CD1 and (T0307)S97.CA only 0.000 apart, marking (T0307)S97.CA as missing WARNING: atoms too close: (T0307)I94.CG2 and (T0307)S97.CA only 0.000 apart, marking (T0307)S97.CA as missing WARNING: atoms too close: (T0307)I94.CG1 and (T0307)S97.CA only 0.000 apart, marking (T0307)S97.CA as missing WARNING: atoms too close: (T0307)I94.CB and (T0307)S97.CA only 0.000 apart, marking (T0307)S97.CA as missing WARNING: atoms too close: (T0307)I94.CA and (T0307)S97.CA only 0.000 apart, marking (T0307)S97.CA as missing WARNING: atoms too close: (T0307)I94.N and (T0307)S97.CA only 0.000 apart, marking (T0307)S97.CA as missing WARNING: atoms too close: (T0307)V93.C and (T0307)S97.CA only 0.000 apart, marking (T0307)S97.CA as missing WARNING: atoms too close: (T0307)S97.CA and (T0307)S97.CB only 0.000 apart, marking (T0307)S97.CB as missing WARNING: atoms too close: (T0307)S97.N and (T0307)S97.CB only 0.000 apart, marking (T0307)S97.CB as missing WARNING: atoms too close: (T0307)A96.C and (T0307)S97.CB only 0.000 apart, marking (T0307)S97.CB as missing WARNING: atoms too close: (T0307)A96.O and (T0307)S97.CB only 0.000 apart, marking (T0307)S97.CB as missing WARNING: atoms too close: (T0307)A96.CB and (T0307)S97.CB only 0.000 apart, marking (T0307)S97.CB as missing WARNING: atoms too close: (T0307)A96.CA and (T0307)S97.CB only 0.000 apart, marking (T0307)S97.CB as missing WARNING: atoms too close: (T0307)A96.N and (T0307)S97.CB only 0.000 apart, marking (T0307)S97.CB as missing WARNING: atoms too close: (T0307)M95.C and (T0307)S97.CB only 0.000 apart, marking (T0307)S97.CB as missing WARNING: atoms too close: (T0307)M95.O and (T0307)S97.CB only 0.000 apart, marking (T0307)S97.CB as missing WARNING: atoms too close: (T0307)M95.CE and (T0307)S97.CB only 0.000 apart, marking (T0307)S97.CB as missing WARNING: atoms too close: (T0307)M95.SD and (T0307)S97.CB only 0.000 apart, marking (T0307)S97.CB as missing WARNING: atoms too close: (T0307)M95.CG and (T0307)S97.CB only 0.000 apart, marking (T0307)S97.CB as missing WARNING: atoms too close: (T0307)M95.CB and (T0307)S97.CB only 0.000 apart, marking (T0307)S97.CB as missing WARNING: atoms too close: (T0307)M95.CA and (T0307)S97.CB only 0.000 apart, marking (T0307)S97.CB as missing WARNING: atoms too close: (T0307)M95.N and (T0307)S97.CB only 0.000 apart, marking (T0307)S97.CB as missing WARNING: atoms too close: (T0307)I94.C and (T0307)S97.CB only 0.000 apart, marking (T0307)S97.CB as missing WARNING: atoms too close: (T0307)I94.O and (T0307)S97.CB only 0.000 apart, marking (T0307)S97.CB as missing WARNING: atoms too close: (T0307)I94.CD1 and (T0307)S97.CB only 0.000 apart, marking (T0307)S97.CB as missing WARNING: atoms too close: (T0307)I94.CG2 and (T0307)S97.CB only 0.000 apart, marking (T0307)S97.CB as missing WARNING: atoms too close: (T0307)I94.CG1 and (T0307)S97.CB only 0.000 apart, marking (T0307)S97.CB as missing WARNING: atoms too close: (T0307)I94.CB and (T0307)S97.CB only 0.000 apart, marking (T0307)S97.CB as missing WARNING: atoms too close: (T0307)I94.CA and (T0307)S97.CB only 0.000 apart, marking (T0307)S97.CB as missing WARNING: atoms too close: (T0307)I94.N and (T0307)S97.CB only 0.000 apart, marking (T0307)S97.CB as missing WARNING: atoms too close: (T0307)V93.C and (T0307)S97.CB only 0.000 apart, marking (T0307)S97.CB as missing WARNING: atoms too close: (T0307)S97.CB and (T0307)S97.OG only 0.000 apart, marking (T0307)S97.OG as missing WARNING: atoms too close: (T0307)S97.CA and (T0307)S97.OG only 0.000 apart, marking (T0307)S97.OG as missing WARNING: atoms too close: (T0307)S97.N and (T0307)S97.OG only 0.000 apart, marking (T0307)S97.OG as missing WARNING: atoms too close: (T0307)A96.C and (T0307)S97.OG only 0.000 apart, marking (T0307)S97.OG as missing WARNING: atoms too close: (T0307)A96.O and (T0307)S97.OG only 0.000 apart, marking (T0307)S97.OG as missing WARNING: atoms too close: (T0307)A96.CB and (T0307)S97.OG only 0.000 apart, marking (T0307)S97.OG as missing WARNING: atoms too close: (T0307)A96.CA and (T0307)S97.OG only 0.000 apart, marking (T0307)S97.OG as missing WARNING: atoms too close: (T0307)A96.N and (T0307)S97.OG only 0.000 apart, marking (T0307)S97.OG as missing WARNING: atoms too close: (T0307)M95.C and (T0307)S97.OG only 0.000 apart, marking (T0307)S97.OG as missing WARNING: atoms too close: (T0307)M95.O and (T0307)S97.OG only 0.000 apart, marking (T0307)S97.OG as missing WARNING: atoms too close: (T0307)M95.CE and (T0307)S97.OG only 0.000 apart, marking (T0307)S97.OG as missing WARNING: atoms too close: (T0307)M95.SD and (T0307)S97.OG only 0.000 apart, marking (T0307)S97.OG as missing WARNING: atoms too close: (T0307)M95.CG and (T0307)S97.OG only 0.000 apart, marking (T0307)S97.OG as missing WARNING: atoms too close: (T0307)M95.CB and (T0307)S97.OG only 0.000 apart, marking (T0307)S97.OG as missing WARNING: atoms too close: (T0307)M95.CA and (T0307)S97.OG only 0.000 apart, marking (T0307)S97.OG as missing WARNING: atoms too close: (T0307)M95.N and (T0307)S97.OG only 0.000 apart, marking (T0307)S97.OG as missing WARNING: atoms too close: (T0307)I94.C and (T0307)S97.OG only 0.000 apart, marking (T0307)S97.OG as missing WARNING: atoms too close: (T0307)I94.O and (T0307)S97.OG only 0.000 apart, marking (T0307)S97.OG as missing WARNING: atoms too close: (T0307)I94.CD1 and (T0307)S97.OG only 0.000 apart, marking (T0307)S97.OG as missing WARNING: atoms too close: (T0307)I94.CG2 and (T0307)S97.OG only 0.000 apart, marking (T0307)S97.OG as missing WARNING: atoms too close: (T0307)I94.CG1 and (T0307)S97.OG only 0.000 apart, marking (T0307)S97.OG as missing WARNING: atoms too close: (T0307)I94.CB and (T0307)S97.OG only 0.000 apart, marking (T0307)S97.OG as missing WARNING: atoms too close: (T0307)I94.CA and (T0307)S97.OG only 0.000 apart, marking (T0307)S97.OG as missing WARNING: atoms too close: (T0307)I94.N and (T0307)S97.OG only 0.000 apart, marking (T0307)S97.OG as missing WARNING: atoms too close: (T0307)V93.C and (T0307)S97.OG only 0.000 apart, marking (T0307)S97.OG as missing WARNING: atoms too close: (T0307)S97.OG and (T0307)S97.O only 0.000 apart, marking (T0307)S97.O as missing WARNING: atoms too close: (T0307)S97.CB and (T0307)S97.O only 0.000 apart, marking (T0307)S97.O as missing WARNING: atoms too close: (T0307)S97.CA and (T0307)S97.O only 0.000 apart, marking (T0307)S97.O as missing WARNING: atoms too close: (T0307)S97.N and (T0307)S97.O only 0.000 apart, marking (T0307)S97.O as missing WARNING: atoms too close: (T0307)A96.C and (T0307)S97.O only 0.000 apart, marking (T0307)S97.O as missing WARNING: atoms too close: (T0307)A96.O and (T0307)S97.O only 0.000 apart, marking (T0307)S97.O as missing WARNING: atoms too close: (T0307)A96.CB and (T0307)S97.O only 0.000 apart, marking (T0307)S97.O as missing WARNING: atoms too close: (T0307)A96.CA and (T0307)S97.O only 0.000 apart, marking (T0307)S97.O as missing WARNING: atoms too close: (T0307)A96.N and (T0307)S97.O only 0.000 apart, marking (T0307)S97.O as missing WARNING: atoms too close: (T0307)M95.C and (T0307)S97.O only 0.000 apart, marking (T0307)S97.O as missing WARNING: atoms too close: (T0307)M95.O and (T0307)S97.O only 0.000 apart, marking (T0307)S97.O as missing WARNING: atoms too close: (T0307)M95.CE and (T0307)S97.O only 0.000 apart, marking (T0307)S97.O as missing WARNING: atoms too close: (T0307)M95.SD and (T0307)S97.O only 0.000 apart, marking (T0307)S97.O as missing WARNING: atoms too close: (T0307)M95.CG and (T0307)S97.O only 0.000 apart, marking (T0307)S97.O as missing WARNING: atoms too close: (T0307)M95.CB and (T0307)S97.O only 0.000 apart, marking (T0307)S97.O as missing WARNING: atoms too close: (T0307)M95.CA and (T0307)S97.O only 0.000 apart, marking (T0307)S97.O as missing WARNING: atoms too close: (T0307)M95.N and (T0307)S97.O only 0.000 apart, marking (T0307)S97.O as missing WARNING: atoms too close: (T0307)I94.C and (T0307)S97.O only 0.000 apart, marking (T0307)S97.O as missing WARNING: atoms too close: (T0307)I94.O and (T0307)S97.O only 0.000 apart, marking (T0307)S97.O as missing WARNING: atoms too close: (T0307)I94.CD1 and (T0307)S97.O only 0.000 apart, marking (T0307)S97.O as missing WARNING: atoms too close: (T0307)I94.CG2 and (T0307)S97.O only 0.000 apart, marking (T0307)S97.O as missing WARNING: atoms too close: (T0307)I94.CG1 and (T0307)S97.O only 0.000 apart, marking (T0307)S97.O as missing WARNING: atoms too close: (T0307)I94.CB and (T0307)S97.O only 0.000 apart, marking (T0307)S97.O as missing WARNING: atoms too close: (T0307)I94.CA and (T0307)S97.O only 0.000 apart, marking (T0307)S97.O as missing WARNING: atoms too close: (T0307)I94.N and (T0307)S97.O only 0.000 apart, marking (T0307)S97.O as missing WARNING: atoms too close: (T0307)V93.C and (T0307)S97.O only 0.000 apart, marking (T0307)S97.O as missing WARNING: atoms too close: (T0307)S97.O and (T0307)S97.C only 0.000 apart, marking (T0307)S97.C as missing WARNING: atoms too close: (T0307)S97.OG and (T0307)S97.C only 0.000 apart, marking (T0307)S97.C as missing WARNING: atoms too close: (T0307)S97.CB and (T0307)S97.C only 0.000 apart, marking (T0307)S97.C as missing WARNING: atoms too close: (T0307)S97.CA and (T0307)S97.C only 0.000 apart, marking (T0307)S97.C as missing WARNING: atoms too close: (T0307)S97.N and (T0307)S97.C only 0.000 apart, marking (T0307)S97.C as missing WARNING: atoms too close: (T0307)A96.C and (T0307)S97.C only 0.000 apart, marking (T0307)S97.C as missing WARNING: atoms too close: (T0307)A96.O and (T0307)S97.C only 0.000 apart, marking (T0307)S97.C as missing WARNING: atoms too close: (T0307)A96.CB and (T0307)S97.C only 0.000 apart, marking (T0307)S97.C as missing WARNING: atoms too close: (T0307)A96.CA and (T0307)S97.C only 0.000 apart, marking (T0307)S97.C as missing WARNING: atoms too close: (T0307)A96.N and (T0307)S97.C only 0.000 apart, marking (T0307)S97.C as missing WARNING: atoms too close: (T0307)M95.C and (T0307)S97.C only 0.000 apart, marking (T0307)S97.C as missing WARNING: atoms too close: (T0307)M95.O and (T0307)S97.C only 0.000 apart, marking (T0307)S97.C as missing WARNING: atoms too close: (T0307)M95.CE and (T0307)S97.C only 0.000 apart, marking (T0307)S97.C as missing WARNING: atoms too close: (T0307)M95.SD and (T0307)S97.C only 0.000 apart, marking (T0307)S97.C as missing WARNING: atoms too close: (T0307)M95.CG and (T0307)S97.C only 0.000 apart, marking (T0307)S97.C as missing WARNING: atoms too close: (T0307)M95.CB and (T0307)S97.C only 0.000 apart, marking (T0307)S97.C as missing WARNING: atoms too close: (T0307)M95.CA and (T0307)S97.C only 0.000 apart, marking (T0307)S97.C as missing WARNING: atoms too close: (T0307)M95.N and (T0307)S97.C only 0.000 apart, marking (T0307)S97.C as missing WARNING: atoms too close: (T0307)I94.C and (T0307)S97.C only 0.000 apart, marking (T0307)S97.C as missing WARNING: atoms too close: (T0307)I94.O and (T0307)S97.C only 0.000 apart, marking (T0307)S97.C as missing WARNING: atoms too close: (T0307)I94.CD1 and (T0307)S97.C only 0.000 apart, marking (T0307)S97.C as missing WARNING: atoms too close: (T0307)I94.CG2 and (T0307)S97.C only 0.000 apart, marking (T0307)S97.C as missing WARNING: atoms too close: (T0307)I94.CG1 and (T0307)S97.C only 0.000 apart, marking (T0307)S97.C as missing WARNING: atoms too close: (T0307)I94.CB and (T0307)S97.C only 0.000 apart, marking (T0307)S97.C as missing WARNING: atoms too close: (T0307)I94.CA and (T0307)S97.C only 0.000 apart, marking (T0307)S97.C as missing WARNING: atoms too close: (T0307)I94.N and (T0307)S97.C only 0.000 apart, marking (T0307)S97.C as missing WARNING: atoms too close: (T0307)V93.C and (T0307)S97.C only 0.000 apart, marking (T0307)S97.C as missing WARNING: atoms too close: (T0307)S97.C and (T0307)D98.N only 0.000 apart, marking (T0307)S97.C as missing WARNING: atoms too close: (T0307)S97.O and (T0307)D98.N only 0.000 apart, marking (T0307)S97.O as missing WARNING: atoms too close: (T0307)S97.OG and (T0307)D98.N only 0.000 apart, marking (T0307)S97.OG as missing WARNING: atoms too close: (T0307)S97.CB and (T0307)D98.N only 0.000 apart, marking (T0307)S97.CB as missing WARNING: atoms too close: (T0307)S97.CA and (T0307)D98.N only 0.000 apart, marking (T0307)S97.CA as missing WARNING: atoms too close: (T0307)S97.N and (T0307)D98.N only 0.000 apart, marking (T0307)S97.N as missing WARNING: atoms too close: (T0307)A96.C and (T0307)D98.N only 0.000 apart, marking (T0307)A96.C as missing WARNING: atoms too close: (T0307)A96.O and (T0307)D98.N only 0.000 apart, marking (T0307)A96.O as missing WARNING: atoms too close: (T0307)A96.CB and (T0307)D98.N only 0.000 apart, marking (T0307)A96.CB as missing WARNING: atoms too close: (T0307)A96.CA and (T0307)D98.N only 0.000 apart, marking (T0307)A96.CA as missing WARNING: atoms too close: (T0307)A96.N and (T0307)D98.N only 0.000 apart, marking (T0307)A96.N as missing WARNING: atoms too close: (T0307)M95.C and (T0307)D98.N only 0.000 apart, marking (T0307)M95.C as missing WARNING: atoms too close: (T0307)M95.O and (T0307)D98.N only 0.000 apart, marking (T0307)M95.O as missing WARNING: atoms too close: (T0307)M95.CE and (T0307)D98.N only 0.000 apart, marking (T0307)M95.CE as missing WARNING: atoms too close: (T0307)M95.SD and (T0307)D98.N only 0.000 apart, marking (T0307)M95.SD as missing WARNING: atoms too close: (T0307)M95.CG and (T0307)D98.N only 0.000 apart, marking (T0307)M95.CG as missing WARNING: atoms too close: (T0307)M95.CB and (T0307)D98.N only 0.000 apart, marking (T0307)M95.CB as missing WARNING: atoms too close: (T0307)M95.CA and (T0307)D98.N only 0.000 apart, marking (T0307)M95.CA as missing WARNING: atoms too close: (T0307)M95.N and (T0307)D98.N only 0.000 apart, marking (T0307)M95.N as missing WARNING: atoms too close: (T0307)I94.C and (T0307)D98.N only 0.000 apart, marking (T0307)I94.C as missing WARNING: atoms too close: (T0307)I94.O and (T0307)D98.N only 0.000 apart, marking (T0307)I94.O as missing WARNING: atoms too close: (T0307)I94.CD1 and (T0307)D98.N only 0.000 apart, marking (T0307)I94.CD1 as missing WARNING: atoms too close: (T0307)I94.CG2 and (T0307)D98.N only 0.000 apart, marking (T0307)I94.CG2 as missing WARNING: atoms too close: (T0307)I94.CG1 and (T0307)D98.N only 0.000 apart, marking (T0307)I94.CG1 as missing WARNING: atoms too close: (T0307)I94.CB and (T0307)D98.N only 0.000 apart, marking (T0307)I94.CB as missing WARNING: atoms too close: (T0307)I94.CA and (T0307)D98.N only 0.000 apart, marking (T0307)I94.CA as missing WARNING: atoms too close: (T0307)I94.N and (T0307)D98.N only 0.000 apart, marking (T0307)I94.N as missing WARNING: atoms too close: (T0307)V93.C and (T0307)D98.N only 0.000 apart, marking (T0307)D98.N as missing WARNING: atoms too close: (T0307)D98.N and (T0307)D98.CA only 0.000 apart, marking (T0307)D98.CA as missing WARNING: atoms too close: (T0307)S97.C and (T0307)D98.CA only 0.000 apart, marking (T0307)D98.CA as missing WARNING: atoms too close: (T0307)S97.O and (T0307)D98.CA only 0.000 apart, marking (T0307)D98.CA as missing WARNING: atoms too close: (T0307)S97.OG and (T0307)D98.CA only 0.000 apart, marking (T0307)D98.CA as missing WARNING: atoms too close: (T0307)S97.CB and (T0307)D98.CA only 0.000 apart, marking (T0307)D98.CA as missing WARNING: atoms too close: (T0307)S97.CA and (T0307)D98.CA only 0.000 apart, marking (T0307)D98.CA as missing WARNING: atoms too close: (T0307)S97.N and (T0307)D98.CA only 0.000 apart, marking (T0307)D98.CA as missing WARNING: atoms too close: (T0307)A96.C and (T0307)D98.CA only 0.000 apart, marking (T0307)D98.CA as missing WARNING: atoms too close: (T0307)A96.O and (T0307)D98.CA only 0.000 apart, marking (T0307)D98.CA as missing WARNING: atoms too close: (T0307)A96.CB and (T0307)D98.CA only 0.000 apart, marking (T0307)D98.CA as missing WARNING: atoms too close: (T0307)A96.CA and (T0307)D98.CA only 0.000 apart, marking (T0307)D98.CA as missing WARNING: atoms too close: (T0307)A96.N and (T0307)D98.CA only 0.000 apart, marking (T0307)D98.CA as missing WARNING: atoms too close: (T0307)M95.C and (T0307)D98.CA only 0.000 apart, marking (T0307)D98.CA as missing WARNING: atoms too close: (T0307)M95.O and (T0307)D98.CA only 0.000 apart, marking (T0307)D98.CA as missing WARNING: atoms too close: (T0307)M95.CE and (T0307)D98.CA only 0.000 apart, marking (T0307)D98.CA as missing WARNING: atoms too close: (T0307)M95.SD and (T0307)D98.CA only 0.000 apart, marking (T0307)D98.CA as missing WARNING: atoms too close: (T0307)M95.CG and (T0307)D98.CA only 0.000 apart, marking (T0307)D98.CA as missing WARNING: atoms too close: (T0307)M95.CB and (T0307)D98.CA only 0.000 apart, marking (T0307)D98.CA as missing WARNING: atoms too close: (T0307)M95.CA and (T0307)D98.CA only 0.000 apart, marking (T0307)D98.CA as missing WARNING: atoms too close: (T0307)M95.N and (T0307)D98.CA only 0.000 apart, marking (T0307)D98.CA as missing WARNING: atoms too close: (T0307)I94.C and (T0307)D98.CA only 0.000 apart, marking (T0307)D98.CA as missing WARNING: atoms too close: (T0307)I94.O and (T0307)D98.CA only 0.000 apart, marking (T0307)D98.CA as missing WARNING: atoms too close: (T0307)I94.CD1 and (T0307)D98.CA only 0.000 apart, marking (T0307)D98.CA as missing WARNING: atoms too close: (T0307)I94.CG2 and (T0307)D98.CA only 0.000 apart, marking (T0307)D98.CA as missing WARNING: atoms too close: (T0307)I94.CG1 and (T0307)D98.CA only 0.000 apart, marking (T0307)D98.CA as missing WARNING: atoms too close: (T0307)I94.CB and (T0307)D98.CA only 0.000 apart, marking (T0307)D98.CA as missing WARNING: atoms too close: (T0307)I94.CA and (T0307)D98.CA only 0.000 apart, marking (T0307)D98.CA as missing WARNING: atoms too close: (T0307)I94.N and (T0307)D98.CA only 0.000 apart, marking (T0307)D98.CA as missing WARNING: atoms too close: (T0307)V93.C and (T0307)D98.CA only 0.000 apart, marking (T0307)D98.CA as missing WARNING: atoms too close: (T0307)D98.CA and (T0307)D98.CB only 0.000 apart, marking (T0307)D98.CB as missing WARNING: atoms too close: (T0307)D98.N and (T0307)D98.CB only 0.000 apart, marking (T0307)D98.CB as missing WARNING: atoms too close: (T0307)S97.C and (T0307)D98.CB only 0.000 apart, marking (T0307)D98.CB as missing WARNING: atoms too close: (T0307)S97.O and (T0307)D98.CB only 0.000 apart, marking (T0307)D98.CB as missing WARNING: atoms too close: (T0307)S97.OG and (T0307)D98.CB only 0.000 apart, marking (T0307)D98.CB as missing WARNING: atoms too close: (T0307)S97.CB and (T0307)D98.CB only 0.000 apart, marking (T0307)D98.CB as missing WARNING: atoms too close: (T0307)S97.CA and (T0307)D98.CB only 0.000 apart, marking (T0307)D98.CB as missing WARNING: atoms too close: (T0307)S97.N and (T0307)D98.CB only 0.000 apart, marking (T0307)D98.CB as missing WARNING: atoms too close: (T0307)A96.C and (T0307)D98.CB only 0.000 apart, marking (T0307)D98.CB as missing WARNING: atoms too close: (T0307)A96.O and (T0307)D98.CB only 0.000 apart, marking (T0307)D98.CB as missing WARNING: atoms too close: (T0307)A96.CB and (T0307)D98.CB only 0.000 apart, marking (T0307)D98.CB as missing WARNING: atoms too close: (T0307)A96.CA and (T0307)D98.CB only 0.000 apart, marking (T0307)D98.CB as missing WARNING: atoms too close: (T0307)A96.N and (T0307)D98.CB only 0.000 apart, marking (T0307)D98.CB as missing WARNING: atoms too close: (T0307)M95.C and (T0307)D98.CB only 0.000 apart, marking (T0307)D98.CB as missing WARNING: atoms too close: (T0307)M95.O and (T0307)D98.CB only 0.000 apart, marking (T0307)D98.CB as missing WARNING: atoms too close: (T0307)M95.CE and (T0307)D98.CB only 0.000 apart, marking (T0307)D98.CB as missing WARNING: atoms too close: (T0307)M95.SD and (T0307)D98.CB only 0.000 apart, marking (T0307)D98.CB as missing WARNING: atoms too close: (T0307)M95.CG and (T0307)D98.CB only 0.000 apart, marking (T0307)D98.CB as missing WARNING: atoms too close: (T0307)M95.CB and (T0307)D98.CB only 0.000 apart, marking (T0307)D98.CB as missing WARNING: atoms too close: (T0307)M95.CA and (T0307)D98.CB only 0.000 apart, marking (T0307)D98.CB as missing WARNING: atoms too close: (T0307)M95.N and (T0307)D98.CB only 0.000 apart, marking (T0307)D98.CB as missing WARNING: atoms too close: (T0307)I94.C and (T0307)D98.CB only 0.000 apart, marking (T0307)D98.CB as missing WARNING: atoms too close: (T0307)I94.O and (T0307)D98.CB only 0.000 apart, marking (T0307)D98.CB as missing WARNING: atoms too close: (T0307)I94.CD1 and (T0307)D98.CB only 0.000 apart, marking (T0307)D98.CB as missing WARNING: atoms too close: (T0307)I94.CG2 and (T0307)D98.CB only 0.000 apart, marking (T0307)D98.CB as missing WARNING: atoms too close: (T0307)I94.CG1 and (T0307)D98.CB only 0.000 apart, marking (T0307)D98.CB as missing WARNING: atoms too close: (T0307)I94.CB and (T0307)D98.CB only 0.000 apart, marking (T0307)D98.CB as missing WARNING: atoms too close: (T0307)I94.CA and (T0307)D98.CB only 0.000 apart, marking (T0307)D98.CB as missing WARNING: atoms too close: (T0307)I94.N and (T0307)D98.CB only 0.000 apart, marking (T0307)D98.CB as missing WARNING: atoms too close: (T0307)V93.C and (T0307)D98.CB only 0.000 apart, marking (T0307)D98.CB as missing WARNING: atoms too close: (T0307)D98.CB and (T0307)D98.CG only 0.000 apart, marking (T0307)D98.CG as missing WARNING: atoms too close: (T0307)D98.CA and (T0307)D98.CG only 0.000 apart, marking (T0307)D98.CG as missing WARNING: atoms too close: (T0307)D98.N and (T0307)D98.CG only 0.000 apart, marking (T0307)D98.CG as missing WARNING: atoms too close: (T0307)S97.C and (T0307)D98.CG only 0.000 apart, marking (T0307)D98.CG as missing WARNING: atoms too close: (T0307)S97.O and (T0307)D98.CG only 0.000 apart, marking (T0307)D98.CG as missing WARNING: atoms too close: (T0307)S97.OG and (T0307)D98.CG only 0.000 apart, marking (T0307)D98.CG as missing WARNING: atoms too close: (T0307)S97.CB and (T0307)D98.CG only 0.000 apart, marking (T0307)D98.CG as missing WARNING: atoms too close: (T0307)S97.CA and (T0307)D98.CG only 0.000 apart, marking (T0307)D98.CG as missing WARNING: atoms too close: (T0307)S97.N and (T0307)D98.CG only 0.000 apart, marking (T0307)D98.CG as missing WARNING: atoms too close: (T0307)A96.C and (T0307)D98.CG only 0.000 apart, marking (T0307)D98.CG as missing WARNING: atoms too close: (T0307)A96.O and (T0307)D98.CG only 0.000 apart, marking (T0307)D98.CG as missing WARNING: atoms too close: (T0307)A96.CB and (T0307)D98.CG only 0.000 apart, marking (T0307)D98.CG as missing WARNING: atoms too close: (T0307)A96.CA and (T0307)D98.CG only 0.000 apart, marking (T0307)D98.CG as missing WARNING: atoms too close: (T0307)A96.N and (T0307)D98.CG only 0.000 apart, marking (T0307)D98.CG as missing WARNING: atoms too close: (T0307)M95.C and (T0307)D98.CG only 0.000 apart, marking (T0307)D98.CG as missing WARNING: atoms too close: (T0307)M95.O and (T0307)D98.CG only 0.000 apart, marking (T0307)D98.CG as missing WARNING: atoms too close: (T0307)M95.CE and (T0307)D98.CG only 0.000 apart, marking (T0307)D98.CG as missing WARNING: atoms too close: (T0307)M95.SD and (T0307)D98.CG only 0.000 apart, marking (T0307)D98.CG as missing WARNING: atoms too close: (T0307)M95.CG and (T0307)D98.CG only 0.000 apart, marking (T0307)D98.CG as missing WARNING: atoms too close: (T0307)M95.CB and (T0307)D98.CG only 0.000 apart, marking (T0307)D98.CG as missing WARNING: atoms too close: (T0307)M95.CA and (T0307)D98.CG only 0.000 apart, marking (T0307)D98.CG as missing WARNING: atoms too close: (T0307)M95.N and (T0307)D98.CG only 0.000 apart, marking (T0307)D98.CG as missing WARNING: atoms too close: (T0307)I94.C and (T0307)D98.CG only 0.000 apart, marking (T0307)D98.CG as missing WARNING: atoms too close: (T0307)I94.O and (T0307)D98.CG only 0.000 apart, marking (T0307)D98.CG as missing WARNING: atoms too close: (T0307)I94.CD1 and (T0307)D98.CG only 0.000 apart, marking (T0307)D98.CG as missing WARNING: atoms too close: (T0307)I94.CG2 and (T0307)D98.CG only 0.000 apart, marking (T0307)D98.CG as missing WARNING: atoms too close: (T0307)I94.CG1 and (T0307)D98.CG only 0.000 apart, marking (T0307)D98.CG as missing WARNING: atoms too close: (T0307)I94.CB and (T0307)D98.CG only 0.000 apart, marking (T0307)D98.CG as missing WARNING: atoms too close: (T0307)I94.CA and (T0307)D98.CG only 0.000 apart, marking (T0307)D98.CG as missing WARNING: atoms too close: (T0307)I94.N and (T0307)D98.CG only 0.000 apart, marking (T0307)D98.CG as missing WARNING: atoms too close: (T0307)V93.C and (T0307)D98.CG only 0.000 apart, marking (T0307)D98.CG as missing WARNING: atoms too close: (T0307)D98.CG and (T0307)D98.OD1 only 0.000 apart, marking (T0307)D98.OD1 as missing WARNING: atoms too close: (T0307)D98.CB and (T0307)D98.OD1 only 0.000 apart, marking (T0307)D98.OD1 as missing WARNING: atoms too close: (T0307)D98.CA and (T0307)D98.OD1 only 0.000 apart, marking (T0307)D98.OD1 as missing WARNING: atoms too close: (T0307)D98.N and (T0307)D98.OD1 only 0.000 apart, marking (T0307)D98.OD1 as missing WARNING: atoms too close: (T0307)S97.C and (T0307)D98.OD1 only 0.000 apart, marking (T0307)D98.OD1 as missing WARNING: atoms too close: (T0307)S97.O and (T0307)D98.OD1 only 0.000 apart, marking (T0307)D98.OD1 as missing WARNING: atoms too close: (T0307)S97.OG and (T0307)D98.OD1 only 0.000 apart, marking (T0307)D98.OD1 as missing WARNING: atoms too close: (T0307)S97.CB and (T0307)D98.OD1 only 0.000 apart, marking (T0307)D98.OD1 as missing WARNING: atoms too close: (T0307)S97.CA and (T0307)D98.OD1 only 0.000 apart, marking (T0307)D98.OD1 as missing WARNING: atoms too close: (T0307)S97.N and (T0307)D98.OD1 only 0.000 apart, marking (T0307)D98.OD1 as missing WARNING: atoms too close: (T0307)A96.C and (T0307)D98.OD1 only 0.000 apart, marking (T0307)D98.OD1 as missing WARNING: atoms too close: (T0307)A96.O and (T0307)D98.OD1 only 0.000 apart, marking (T0307)D98.OD1 as missing WARNING: atoms too close: (T0307)A96.CB and (T0307)D98.OD1 only 0.000 apart, marking (T0307)D98.OD1 as missing WARNING: atoms too close: (T0307)A96.CA and (T0307)D98.OD1 only 0.000 apart, marking (T0307)D98.OD1 as missing WARNING: atoms too close: (T0307)A96.N and (T0307)D98.OD1 only 0.000 apart, marking (T0307)D98.OD1 as missing WARNING: atoms too close: (T0307)M95.C and (T0307)D98.OD1 only 0.000 apart, marking (T0307)D98.OD1 as missing WARNING: atoms too close: (T0307)M95.O and (T0307)D98.OD1 only 0.000 apart, marking (T0307)D98.OD1 as missing WARNING: atoms too close: (T0307)M95.CE and (T0307)D98.OD1 only 0.000 apart, marking (T0307)D98.OD1 as missing WARNING: atoms too close: (T0307)M95.SD and (T0307)D98.OD1 only 0.000 apart, marking (T0307)D98.OD1 as missing WARNING: atoms too close: (T0307)M95.CG and (T0307)D98.OD1 only 0.000 apart, marking (T0307)D98.OD1 as missing WARNING: atoms too close: (T0307)M95.CB and (T0307)D98.OD1 only 0.000 apart, marking (T0307)D98.OD1 as missing WARNING: atoms too close: (T0307)M95.CA and (T0307)D98.OD1 only 0.000 apart, marking (T0307)D98.OD1 as missing WARNING: atoms too close: (T0307)M95.N and (T0307)D98.OD1 only 0.000 apart, marking (T0307)D98.OD1 as missing WARNING: atoms too close: (T0307)I94.C and (T0307)D98.OD1 only 0.000 apart, marking (T0307)D98.OD1 as missing WARNING: atoms too close: (T0307)I94.O and (T0307)D98.OD1 only 0.000 apart, marking (T0307)D98.OD1 as missing WARNING: atoms too close: (T0307)I94.CD1 and (T0307)D98.OD1 only 0.000 apart, marking (T0307)D98.OD1 as missing WARNING: atoms too close: (T0307)I94.CG2 and (T0307)D98.OD1 only 0.000 apart, marking (T0307)D98.OD1 as missing WARNING: atoms too close: (T0307)I94.CG1 and (T0307)D98.OD1 only 0.000 apart, marking (T0307)D98.OD1 as missing WARNING: atoms too close: (T0307)I94.CB and (T0307)D98.OD1 only 0.000 apart, marking (T0307)D98.OD1 as missing WARNING: atoms too close: (T0307)I94.CA and (T0307)D98.OD1 only 0.000 apart, marking (T0307)D98.OD1 as missing WARNING: atoms too close: (T0307)I94.N and (T0307)D98.OD1 only 0.000 apart, marking (T0307)D98.OD1 as missing WARNING: atoms too close: (T0307)V93.C and (T0307)D98.OD1 only 0.000 apart, marking (T0307)D98.OD1 as missing WARNING: atoms too close: (T0307)D98.OD1 and (T0307)D98.OD2 only 0.000 apart, marking (T0307)D98.OD2 as missing WARNING: atoms too close: (T0307)D98.CG and (T0307)D98.OD2 only 0.000 apart, marking (T0307)D98.OD2 as missing WARNING: atoms too close: (T0307)D98.CB and (T0307)D98.OD2 only 0.000 apart, marking (T0307)D98.OD2 as missing WARNING: atoms too close: (T0307)D98.CA and (T0307)D98.OD2 only 0.000 apart, marking (T0307)D98.OD2 as missing WARNING: atoms too close: (T0307)D98.N and (T0307)D98.OD2 only 0.000 apart, marking (T0307)D98.OD2 as missing WARNING: atoms too close: (T0307)S97.C and (T0307)D98.OD2 only 0.000 apart, marking (T0307)D98.OD2 as missing WARNING: atoms too close: (T0307)S97.O and (T0307)D98.OD2 only 0.000 apart, marking (T0307)D98.OD2 as missing WARNING: atoms too close: (T0307)S97.OG and (T0307)D98.OD2 only 0.000 apart, marking (T0307)D98.OD2 as missing WARNING: atoms too close: (T0307)S97.CB and (T0307)D98.OD2 only 0.000 apart, marking (T0307)D98.OD2 as missing WARNING: atoms too close: (T0307)S97.CA and (T0307)D98.OD2 only 0.000 apart, marking (T0307)D98.OD2 as missing WARNING: atoms too close: (T0307)S97.N and (T0307)D98.OD2 only 0.000 apart, marking (T0307)D98.OD2 as missing WARNING: atoms too close: (T0307)A96.C and (T0307)D98.OD2 only 0.000 apart, marking (T0307)D98.OD2 as missing WARNING: atoms too close: (T0307)A96.O and (T0307)D98.OD2 only 0.000 apart, marking (T0307)D98.OD2 as missing WARNING: atoms too close: (T0307)A96.CB and (T0307)D98.OD2 only 0.000 apart, marking (T0307)D98.OD2 as missing WARNING: atoms too close: (T0307)A96.CA and (T0307)D98.OD2 only 0.000 apart, marking (T0307)D98.OD2 as missing WARNING: atoms too close: (T0307)A96.N and (T0307)D98.OD2 only 0.000 apart, marking (T0307)D98.OD2 as missing WARNING: atoms too close: (T0307)M95.C and (T0307)D98.OD2 only 0.000 apart, marking (T0307)D98.OD2 as missing WARNING: atoms too close: (T0307)M95.O and (T0307)D98.OD2 only 0.000 apart, marking (T0307)D98.OD2 as missing WARNING: atoms too close: (T0307)M95.CE and (T0307)D98.OD2 only 0.000 apart, marking (T0307)D98.OD2 as missing WARNING: atoms too close: (T0307)M95.SD and (T0307)D98.OD2 only 0.000 apart, marking (T0307)D98.OD2 as missing WARNING: atoms too close: (T0307)M95.CG and (T0307)D98.OD2 only 0.000 apart, marking (T0307)D98.OD2 as missing WARNING: atoms too close: (T0307)M95.CB and (T0307)D98.OD2 only 0.000 apart, marking (T0307)D98.OD2 as missing WARNING: atoms too close: (T0307)M95.CA and (T0307)D98.OD2 only 0.000 apart, marking (T0307)D98.OD2 as missing WARNING: atoms too close: (T0307)M95.N and (T0307)D98.OD2 only 0.000 apart, marking (T0307)D98.OD2 as missing WARNING: atoms too close: (T0307)I94.C and (T0307)D98.OD2 only 0.000 apart, marking (T0307)D98.OD2 as missing WARNING: atoms too close: (T0307)I94.O and (T0307)D98.OD2 only 0.000 apart, marking (T0307)D98.OD2 as missing WARNING: atoms too close: (T0307)I94.CD1 and (T0307)D98.OD2 only 0.000 apart, marking (T0307)D98.OD2 as missing WARNING: atoms too close: (T0307)I94.CG2 and (T0307)D98.OD2 only 0.000 apart, marking (T0307)D98.OD2 as missing WARNING: atoms too close: (T0307)I94.CG1 and (T0307)D98.OD2 only 0.000 apart, marking (T0307)D98.OD2 as missing WARNING: atoms too close: (T0307)I94.CB and (T0307)D98.OD2 only 0.000 apart, marking (T0307)D98.OD2 as missing WARNING: atoms too close: (T0307)I94.CA and (T0307)D98.OD2 only 0.000 apart, marking (T0307)D98.OD2 as missing WARNING: atoms too close: (T0307)I94.N and (T0307)D98.OD2 only 0.000 apart, marking (T0307)D98.OD2 as missing WARNING: atoms too close: (T0307)V93.C and (T0307)D98.OD2 only 0.000 apart, marking (T0307)D98.OD2 as missing WARNING: atoms too close: (T0307)D98.OD2 and (T0307)D98.O only 0.000 apart, marking (T0307)D98.O as missing WARNING: atoms too close: (T0307)D98.OD1 and (T0307)D98.O only 0.000 apart, marking (T0307)D98.O as missing WARNING: atoms too close: (T0307)D98.CG and (T0307)D98.O only 0.000 apart, marking (T0307)D98.O as missing WARNING: atoms too close: (T0307)D98.CB and (T0307)D98.O only 0.000 apart, marking (T0307)D98.O as missing WARNING: atoms too close: (T0307)D98.CA and (T0307)D98.O only 0.000 apart, marking (T0307)D98.O as missing WARNING: atoms too close: (T0307)D98.N and (T0307)D98.O only 0.000 apart, marking (T0307)D98.O as missing WARNING: atoms too close: (T0307)S97.C and (T0307)D98.O only 0.000 apart, marking (T0307)D98.O as missing WARNING: atoms too close: (T0307)S97.O and (T0307)D98.O only 0.000 apart, marking (T0307)D98.O as missing WARNING: atoms too close: (T0307)S97.OG and (T0307)D98.O only 0.000 apart, marking (T0307)D98.O as missing WARNING: atoms too close: (T0307)S97.CB and (T0307)D98.O only 0.000 apart, marking (T0307)D98.O as missing WARNING: atoms too close: (T0307)S97.CA and (T0307)D98.O only 0.000 apart, marking (T0307)D98.O as missing WARNING: atoms too close: (T0307)S97.N and (T0307)D98.O only 0.000 apart, marking (T0307)D98.O as missing WARNING: atoms too close: (T0307)A96.C and (T0307)D98.O only 0.000 apart, marking (T0307)D98.O as missing WARNING: atoms too close: (T0307)A96.O and (T0307)D98.O only 0.000 apart, marking (T0307)D98.O as missing WARNING: atoms too close: (T0307)A96.CB and (T0307)D98.O only 0.000 apart, marking (T0307)D98.O as missing WARNING: atoms too close: (T0307)A96.CA and (T0307)D98.O only 0.000 apart, marking (T0307)D98.O as missing WARNING: atoms too close: (T0307)A96.N and (T0307)D98.O only 0.000 apart, marking (T0307)D98.O as missing WARNING: atoms too close: (T0307)M95.C and (T0307)D98.O only 0.000 apart, marking (T0307)D98.O as missing WARNING: atoms too close: (T0307)M95.O and (T0307)D98.O only 0.000 apart, marking (T0307)D98.O as missing WARNING: atoms too close: (T0307)M95.CE and (T0307)D98.O only 0.000 apart, marking (T0307)D98.O as missing WARNING: atoms too close: (T0307)M95.SD and (T0307)D98.O only 0.000 apart, marking (T0307)D98.O as missing WARNING: atoms too close: (T0307)M95.CG and (T0307)D98.O only 0.000 apart, marking (T0307)D98.O as missing WARNING: atoms too close: (T0307)M95.CB and (T0307)D98.O only 0.000 apart, marking (T0307)D98.O as missing WARNING: atoms too close: (T0307)M95.CA and (T0307)D98.O only 0.000 apart, marking (T0307)D98.O as missing WARNING: atoms too close: (T0307)M95.N and (T0307)D98.O only 0.000 apart, marking (T0307)D98.O as missing WARNING: atoms too close: (T0307)I94.C and (T0307)D98.O only 0.000 apart, marking (T0307)D98.O as missing WARNING: atoms too close: (T0307)I94.O and (T0307)D98.O only 0.000 apart, marking (T0307)D98.O as missing WARNING: atoms too close: (T0307)I94.CD1 and (T0307)D98.O only 0.000 apart, marking (T0307)D98.O as missing WARNING: atoms too close: (T0307)I94.CG2 and (T0307)D98.O only 0.000 apart, marking (T0307)D98.O as missing WARNING: atoms too close: (T0307)I94.CG1 and (T0307)D98.O only 0.000 apart, marking (T0307)D98.O as missing WARNING: atoms too close: (T0307)I94.CB and (T0307)D98.O only 0.000 apart, marking (T0307)D98.O as missing WARNING: atoms too close: (T0307)I94.CA and (T0307)D98.O only 0.000 apart, marking (T0307)D98.O as missing WARNING: atoms too close: (T0307)I94.N and (T0307)D98.O only 0.000 apart, marking (T0307)D98.O as missing WARNING: atoms too close: (T0307)V93.C and (T0307)D98.O only 0.000 apart, marking (T0307)D98.O as missing WARNING: atoms too close: (T0307)D98.O and (T0307)D98.C only 0.000 apart, marking (T0307)D98.C as missing WARNING: atoms too close: (T0307)D98.OD2 and (T0307)D98.C only 0.000 apart, marking (T0307)D98.C as missing WARNING: atoms too close: (T0307)D98.OD1 and (T0307)D98.C only 0.000 apart, marking (T0307)D98.C as missing WARNING: atoms too close: (T0307)D98.CG and (T0307)D98.C only 0.000 apart, marking (T0307)D98.C as missing WARNING: atoms too close: (T0307)D98.CB and (T0307)D98.C only 0.000 apart, marking (T0307)D98.C as missing WARNING: atoms too close: (T0307)D98.CA and (T0307)D98.C only 0.000 apart, marking (T0307)D98.C as missing WARNING: atoms too close: (T0307)D98.N and (T0307)D98.C only 0.000 apart, marking (T0307)D98.C as missing WARNING: atoms too close: (T0307)S97.C and (T0307)D98.C only 0.000 apart, marking (T0307)D98.C as missing WARNING: atoms too close: (T0307)S97.O and (T0307)D98.C only 0.000 apart, marking (T0307)D98.C as missing WARNING: atoms too close: (T0307)S97.OG and (T0307)D98.C only 0.000 apart, marking (T0307)D98.C as missing WARNING: atoms too close: (T0307)S97.CB and (T0307)D98.C only 0.000 apart, marking (T0307)D98.C as missing WARNING: atoms too close: (T0307)S97.CA and (T0307)D98.C only 0.000 apart, marking (T0307)D98.C as missing WARNING: atoms too close: (T0307)S97.N and (T0307)D98.C only 0.000 apart, marking (T0307)D98.C as missing WARNING: atoms too close: (T0307)A96.C and (T0307)D98.C only 0.000 apart, marking (T0307)D98.C as missing WARNING: atoms too close: (T0307)A96.O and (T0307)D98.C only 0.000 apart, marking (T0307)D98.C as missing WARNING: atoms too close: (T0307)A96.CB and (T0307)D98.C only 0.000 apart, marking (T0307)D98.C as missing WARNING: atoms too close: (T0307)A96.CA and (T0307)D98.C only 0.000 apart, marking (T0307)D98.C as missing WARNING: atoms too close: (T0307)A96.N and (T0307)D98.C only 0.000 apart, marking (T0307)D98.C as missing WARNING: atoms too close: (T0307)M95.C and (T0307)D98.C only 0.000 apart, marking (T0307)D98.C as missing WARNING: atoms too close: (T0307)M95.O and (T0307)D98.C only 0.000 apart, marking (T0307)D98.C as missing WARNING: atoms too close: (T0307)M95.CE and (T0307)D98.C only 0.000 apart, marking (T0307)D98.C as missing WARNING: atoms too close: (T0307)M95.SD and (T0307)D98.C only 0.000 apart, marking (T0307)D98.C as missing WARNING: atoms too close: (T0307)M95.CG and (T0307)D98.C only 0.000 apart, marking (T0307)D98.C as missing WARNING: atoms too close: (T0307)M95.CB and (T0307)D98.C only 0.000 apart, marking (T0307)D98.C as missing WARNING: atoms too close: (T0307)M95.CA and (T0307)D98.C only 0.000 apart, marking (T0307)D98.C as missing WARNING: atoms too close: (T0307)M95.N and (T0307)D98.C only 0.000 apart, marking (T0307)D98.C as missing WARNING: atoms too close: (T0307)I94.C and (T0307)D98.C only 0.000 apart, marking (T0307)D98.C as missing WARNING: atoms too close: (T0307)I94.O and (T0307)D98.C only 0.000 apart, marking (T0307)D98.C as missing WARNING: atoms too close: (T0307)I94.CD1 and (T0307)D98.C only 0.000 apart, marking (T0307)D98.C as missing WARNING: atoms too close: (T0307)I94.CG2 and (T0307)D98.C only 0.000 apart, marking (T0307)D98.C as missing WARNING: atoms too close: (T0307)I94.CG1 and (T0307)D98.C only 0.000 apart, marking (T0307)D98.C as missing WARNING: atoms too close: (T0307)I94.CB and (T0307)D98.C only 0.000 apart, marking (T0307)D98.C as missing WARNING: atoms too close: (T0307)I94.CA and (T0307)D98.C only 0.000 apart, marking (T0307)D98.C as missing WARNING: atoms too close: (T0307)I94.N and (T0307)D98.C only 0.000 apart, marking (T0307)D98.C as missing WARNING: atoms too close: (T0307)V93.C and (T0307)D98.C only 0.000 apart, marking (T0307)D98.C as missing # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS5 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_216389223.pdb -s /var/tmp/to_scwrl_216389223.seq -o /var/tmp/from_scwrl_216389223.pdb > /var/tmp/scwrl_216389223.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_216389223.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 T0307 can't currently be optimized by undertaker # naming current conformation Distill_TS1 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_1994614994.pdb -s /var/tmp/to_scwrl_1994614994.seq -o /var/tmp/from_scwrl_1994614994.pdb > /var/tmp/scwrl_1994614994.log Error: Couldn't open file /var/tmp/from_scwrl_1994614994.pdb or /var/tmp/from_scwrl_1994614994.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1994614994_b.pdb or decoys//var/tmp/from_scwrl_1994614994_b.pdb.gz for input Trying /var/tmp/from_scwrl_1994614994_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1994614994_b.pdb or /var/tmp/from_scwrl_1994614994_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1994614994_a.pdb or decoys//var/tmp/from_scwrl_1994614994_a.pdb.gz for input Trying /var/tmp/from_scwrl_1994614994_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1994614994_a.pdb or /var/tmp/from_scwrl_1994614994_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1994614994.pdb or /var/tmp/from_scwrl_1994614994_b.pdb or /var/tmp/from_scwrl_1994614994_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 T0307 can't currently be optimized by undertaker # naming current conformation Distill_TS2 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_1461116395.pdb -s /var/tmp/to_scwrl_1461116395.seq -o /var/tmp/from_scwrl_1461116395.pdb > /var/tmp/scwrl_1461116395.log Error: Couldn't open file /var/tmp/from_scwrl_1461116395.pdb or /var/tmp/from_scwrl_1461116395.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1461116395_b.pdb or decoys//var/tmp/from_scwrl_1461116395_b.pdb.gz for input Trying /var/tmp/from_scwrl_1461116395_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1461116395_b.pdb or /var/tmp/from_scwrl_1461116395_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1461116395_a.pdb or decoys//var/tmp/from_scwrl_1461116395_a.pdb.gz for input Trying /var/tmp/from_scwrl_1461116395_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1461116395_a.pdb or /var/tmp/from_scwrl_1461116395_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1461116395.pdb or /var/tmp/from_scwrl_1461116395_b.pdb or /var/tmp/from_scwrl_1461116395_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 T0307 can't currently be optimized by undertaker # naming current conformation Distill_TS3 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_136193722.pdb -s /var/tmp/to_scwrl_136193722.seq -o /var/tmp/from_scwrl_136193722.pdb > /var/tmp/scwrl_136193722.log Error: Couldn't open file /var/tmp/from_scwrl_136193722.pdb or /var/tmp/from_scwrl_136193722.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_136193722_b.pdb or decoys//var/tmp/from_scwrl_136193722_b.pdb.gz for input Trying /var/tmp/from_scwrl_136193722_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_136193722_b.pdb or /var/tmp/from_scwrl_136193722_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_136193722_a.pdb or decoys//var/tmp/from_scwrl_136193722_a.pdb.gz for input Trying /var/tmp/from_scwrl_136193722_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_136193722_a.pdb or /var/tmp/from_scwrl_136193722_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_136193722.pdb or /var/tmp/from_scwrl_136193722_b.pdb or /var/tmp/from_scwrl_136193722_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 T0307 can't currently be optimized by undertaker # naming current conformation Distill_TS4 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_1196511528.pdb -s /var/tmp/to_scwrl_1196511528.seq -o /var/tmp/from_scwrl_1196511528.pdb > /var/tmp/scwrl_1196511528.log Error: Couldn't open file /var/tmp/from_scwrl_1196511528.pdb or /var/tmp/from_scwrl_1196511528.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1196511528_b.pdb or decoys//var/tmp/from_scwrl_1196511528_b.pdb.gz for input Trying /var/tmp/from_scwrl_1196511528_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1196511528_b.pdb or /var/tmp/from_scwrl_1196511528_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1196511528_a.pdb or decoys//var/tmp/from_scwrl_1196511528_a.pdb.gz for input Trying /var/tmp/from_scwrl_1196511528_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1196511528_a.pdb or /var/tmp/from_scwrl_1196511528_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1196511528.pdb or /var/tmp/from_scwrl_1196511528_b.pdb or /var/tmp/from_scwrl_1196511528_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 T0307 can't currently be optimized by undertaker # naming current conformation Distill_TS5 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_268049717.pdb -s /var/tmp/to_scwrl_268049717.seq -o /var/tmp/from_scwrl_268049717.pdb > /var/tmp/scwrl_268049717.log Error: Couldn't open file /var/tmp/from_scwrl_268049717.pdb or /var/tmp/from_scwrl_268049717.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_268049717_b.pdb or decoys//var/tmp/from_scwrl_268049717_b.pdb.gz for input Trying /var/tmp/from_scwrl_268049717_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_268049717_b.pdb or /var/tmp/from_scwrl_268049717_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_268049717_a.pdb or decoys//var/tmp/from_scwrl_268049717_a.pdb.gz for input Trying /var/tmp/from_scwrl_268049717_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_268049717_a.pdb or /var/tmp/from_scwrl_268049717_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_268049717.pdb or /var/tmp/from_scwrl_268049717_b.pdb or /var/tmp/from_scwrl_268049717_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 122 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS1 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_1292234459.pdb -s /var/tmp/to_scwrl_1292234459.seq -o /var/tmp/from_scwrl_1292234459.pdb > /var/tmp/scwrl_1292234459.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1292234459.pdb # conformation set from SCWRL output # naming current conformation FAMSD_TS1-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS2.pdb.gz looking for model 1 # Found a chain break before 124 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS2 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_1062916818.pdb -s /var/tmp/to_scwrl_1062916818.seq -o /var/tmp/from_scwrl_1062916818.pdb > /var/tmp/scwrl_1062916818.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1062916818.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 T0307 can't currently be optimized by undertaker # naming current conformation FAMSD_TS3 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_87861444.pdb -s /var/tmp/to_scwrl_87861444.seq -o /var/tmp/from_scwrl_87861444.pdb > /var/tmp/scwrl_87861444.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_87861444.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 T0307 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FAMSD_TS4 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_537394610.pdb -s /var/tmp/to_scwrl_537394610.seq -o /var/tmp/from_scwrl_537394610.pdb > /var/tmp/scwrl_537394610.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_537394610.pdb # conformation set from SCWRL output # naming current conformation FAMSD_TS4-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS5.pdb.gz looking for model 1 # Found a chain break before 119 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS5 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_508483784.pdb -s /var/tmp/to_scwrl_508483784.seq -o /var/tmp/from_scwrl_508483784.pdb > /var/tmp/scwrl_508483784.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_508483784.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 130 # copying to AlignedFragments data structure # naming current conformation FAMS_TS1 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_1437014637.pdb -s /var/tmp/to_scwrl_1437014637.seq -o /var/tmp/from_scwrl_1437014637.pdb > /var/tmp/scwrl_1437014637.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1437014637.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS1-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS2.pdb.gz looking for model 1 # Found a chain break before 122 # copying to AlignedFragments data structure # naming current conformation FAMS_TS2 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_643762046.pdb -s /var/tmp/to_scwrl_643762046.seq -o /var/tmp/from_scwrl_643762046.pdb > /var/tmp/scwrl_643762046.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_643762046.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 # Found a chain break before 122 # copying to AlignedFragments data structure # naming current conformation FAMS_TS3 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_192273194.pdb -s /var/tmp/to_scwrl_192273194.seq -o /var/tmp/from_scwrl_192273194.pdb > /var/tmp/scwrl_192273194.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_192273194.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 122 # copying to AlignedFragments data structure # naming current conformation FAMS_TS4 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_1340253784.pdb -s /var/tmp/to_scwrl_1340253784.seq -o /var/tmp/from_scwrl_1340253784.pdb > /var/tmp/scwrl_1340253784.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1340253784.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS4-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS5.pdb.gz looking for model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # naming current conformation FAMS_TS5 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_167473269.pdb -s /var/tmp/to_scwrl_167473269.seq -o /var/tmp/from_scwrl_167473269.pdb > /var/tmp/scwrl_167473269.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_167473269.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 65 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS1 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_665848498.pdb -s /var/tmp/to_scwrl_665848498.seq -o /var/tmp/from_scwrl_665848498.pdb > /var/tmp/scwrl_665848498.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_665848498.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 125 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS2 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_526124789.pdb -s /var/tmp/to_scwrl_526124789.seq -o /var/tmp/from_scwrl_526124789.pdb > /var/tmp/scwrl_526124789.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_526124789.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 128 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS3 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_1914024630.pdb -s /var/tmp/to_scwrl_1914024630.seq -o /var/tmp/from_scwrl_1914024630.pdb > /var/tmp/scwrl_1914024630.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1914024630.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 77 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS4 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_1240684851.pdb -s /var/tmp/to_scwrl_1240684851.seq -o /var/tmp/from_scwrl_1240684851.pdb > /var/tmp/scwrl_1240684851.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1240684851.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 38 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS5 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_2054758508.pdb -s /var/tmp/to_scwrl_2054758508.seq -o /var/tmp/from_scwrl_2054758508.pdb > /var/tmp/scwrl_2054758508.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2054758508.pdb # conformation set from SCWRL output # naming current conformation FOLDpro_TS5-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL1.pdb.gz looking for model 1 Skipped atom 258, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 260, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 262, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 264, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL1 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_286359603.pdb -s /var/tmp/to_scwrl_286359603.seq -o /var/tmp/from_scwrl_286359603.pdb > /var/tmp/scwrl_286359603.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_286359603.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 T0307 can't currently be optimized by undertaker # naming current conformation FORTE1_AL2 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_1992167294.pdb -s /var/tmp/to_scwrl_1992167294.seq -o /var/tmp/from_scwrl_1992167294.pdb > /var/tmp/scwrl_1992167294.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1992167294.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 T0307 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL3 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_352879840.pdb -s /var/tmp/to_scwrl_352879840.seq -o /var/tmp/from_scwrl_352879840.pdb > /var/tmp/scwrl_352879840.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_352879840.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 T0307 can't currently be optimized by undertaker # naming current conformation FORTE1_AL4 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_1382006522.pdb -s /var/tmp/to_scwrl_1382006522.seq -o /var/tmp/from_scwrl_1382006522.pdb > /var/tmp/scwrl_1382006522.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1382006522.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 T0307 can't currently be optimized by undertaker # naming current conformation FORTE1_AL5 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_1836443605.pdb -s /var/tmp/to_scwrl_1836443605.seq -o /var/tmp/from_scwrl_1836443605.pdb > /var/tmp/scwrl_1836443605.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1836443605.pdb # conformation set from SCWRL output # naming current conformation FORTE1_AL5-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL1.pdb.gz looking for model 1 Skipped atom 258, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 260, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 262, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 264, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE2_AL1 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_1073821247.pdb -s /var/tmp/to_scwrl_1073821247.seq -o /var/tmp/from_scwrl_1073821247.pdb > /var/tmp/scwrl_1073821247.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1073821247.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 T0307 can't currently be optimized by undertaker # naming current conformation FORTE2_AL2 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_1141376719.pdb -s /var/tmp/to_scwrl_1141376719.seq -o /var/tmp/from_scwrl_1141376719.pdb > /var/tmp/scwrl_1141376719.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1141376719.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 T0307 can't currently be optimized by undertaker # naming current conformation FORTE2_AL3 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_1026317199.pdb -s /var/tmp/to_scwrl_1026317199.seq -o /var/tmp/from_scwrl_1026317199.pdb > /var/tmp/scwrl_1026317199.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1026317199.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 T0307 can't currently be optimized by undertaker # naming current conformation FORTE2_AL4 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_1185372371.pdb -s /var/tmp/to_scwrl_1185372371.seq -o /var/tmp/from_scwrl_1185372371.pdb > /var/tmp/scwrl_1185372371.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1185372371.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 T0307 can't currently be optimized by undertaker # naming current conformation FORTE2_AL5 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_906954439.pdb -s /var/tmp/to_scwrl_906954439.seq -o /var/tmp/from_scwrl_906954439.pdb > /var/tmp/scwrl_906954439.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_906954439.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 83 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS1 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_1242706421.pdb -s /var/tmp/to_scwrl_1242706421.seq -o /var/tmp/from_scwrl_1242706421.pdb > /var/tmp/scwrl_1242706421.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1242706421.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 102 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS2 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_1032503719.pdb -s /var/tmp/to_scwrl_1032503719.seq -o /var/tmp/from_scwrl_1032503719.pdb > /var/tmp/scwrl_1032503719.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1032503719.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 81 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS3 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_220587187.pdb -s /var/tmp/to_scwrl_220587187.seq -o /var/tmp/from_scwrl_220587187.pdb > /var/tmp/scwrl_220587187.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_220587187.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 46 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS4 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_1378900143.pdb -s /var/tmp/to_scwrl_1378900143.seq -o /var/tmp/from_scwrl_1378900143.pdb > /var/tmp/scwrl_1378900143.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1378900143.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 56 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS5 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_81531600.pdb -s /var/tmp/to_scwrl_81531600.seq -o /var/tmp/from_scwrl_81531600.pdb > /var/tmp/scwrl_81531600.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_81531600.pdb # conformation set from SCWRL output # naming current conformation FPSOLVER-SERVER_TS5-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS1.pdb.gz looking for model 1 # Found a chain break before 117 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS1 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_488636904.pdb -s /var/tmp/to_scwrl_488636904.seq -o /var/tmp/from_scwrl_488636904.pdb > /var/tmp/scwrl_488636904.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_488636904.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS1-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS2.pdb.gz looking for model 1 # Found a chain break before 66 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS2 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_523650956.pdb -s /var/tmp/to_scwrl_523650956.seq -o /var/tmp/from_scwrl_523650956.pdb > /var/tmp/scwrl_523650956.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_523650956.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 T0307 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS3 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_1144448417.pdb -s /var/tmp/to_scwrl_1144448417.seq -o /var/tmp/from_scwrl_1144448417.pdb > /var/tmp/scwrl_1144448417.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1144448417.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 T0307 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS4 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_576498348.pdb -s /var/tmp/to_scwrl_576498348.seq -o /var/tmp/from_scwrl_576498348.pdb > /var/tmp/scwrl_576498348.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_576498348.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 # naming current conformation FUGMOD_TS5 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_1061045566.pdb -s /var/tmp/to_scwrl_1061045566.seq -o /var/tmp/from_scwrl_1061045566.pdb > /var/tmp/scwrl_1061045566.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1061045566.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 T0307 can't currently be optimized by undertaker # naming current conformation FUGUE_AL1 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_1652932201.pdb -s /var/tmp/to_scwrl_1652932201.seq -o /var/tmp/from_scwrl_1652932201.pdb > /var/tmp/scwrl_1652932201.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1652932201.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 T0307 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL2 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_2013512985.pdb -s /var/tmp/to_scwrl_2013512985.seq -o /var/tmp/from_scwrl_2013512985.pdb > /var/tmp/scwrl_2013512985.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2013512985.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 T0307 can't currently be optimized by undertaker # naming current conformation FUGUE_AL3 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_1704807611.pdb -s /var/tmp/to_scwrl_1704807611.seq -o /var/tmp/from_scwrl_1704807611.pdb > /var/tmp/scwrl_1704807611.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1704807611.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 T0307 can't currently be optimized by undertaker # naming current conformation FUGUE_AL4 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_1845205396.pdb -s /var/tmp/to_scwrl_1845205396.seq -o /var/tmp/from_scwrl_1845205396.pdb > /var/tmp/scwrl_1845205396.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1845205396.pdb # conformation set from SCWRL output # naming current conformation FUGUE_AL4-scwrl # ReadConformPDB reading from PDB file servers/FUGUE_AL5.pdb.gz looking for model 1 Skipped atom 175, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL5.pdb.gz Skipped atom 260, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL5.pdb.gz Skipped atom 273, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL5.pdb.gz # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL5 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_1206283122.pdb -s /var/tmp/to_scwrl_1206283122.seq -o /var/tmp/from_scwrl_1206283122.pdb > /var/tmp/scwrl_1206283122.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1206283122.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 124 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS1 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_1872280881.pdb -s /var/tmp/to_scwrl_1872280881.seq -o /var/tmp/from_scwrl_1872280881.pdb > /var/tmp/scwrl_1872280881.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1872280881.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 124 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS2 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_363570247.pdb -s /var/tmp/to_scwrl_363570247.seq -o /var/tmp/from_scwrl_363570247.pdb > /var/tmp/scwrl_363570247.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_363570247.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 130 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS3 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_1732407912.pdb -s /var/tmp/to_scwrl_1732407912.seq -o /var/tmp/from_scwrl_1732407912.pdb > /var/tmp/scwrl_1732407912.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1732407912.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 120 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS4 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_1638821864.pdb -s /var/tmp/to_scwrl_1638821864.seq -o /var/tmp/from_scwrl_1638821864.pdb > /var/tmp/scwrl_1638821864.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1638821864.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 123 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS5 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_1604255098.pdb -s /var/tmp/to_scwrl_1604255098.seq -o /var/tmp/from_scwrl_1604255098.pdb > /var/tmp/scwrl_1604255098.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1604255098.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 # naming current conformation GeneSilicoMetaServer_TS1 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_1639682773.pdb -s /var/tmp/to_scwrl_1639682773.seq -o /var/tmp/from_scwrl_1639682773.pdb > /var/tmp/scwrl_1639682773.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1639682773.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 T0307 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS2 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_1925181467.pdb -s /var/tmp/to_scwrl_1925181467.seq -o /var/tmp/from_scwrl_1925181467.pdb > /var/tmp/scwrl_1925181467.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1925181467.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS2-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS3 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_1448938746.pdb -s /var/tmp/to_scwrl_1448938746.seq -o /var/tmp/from_scwrl_1448938746.pdb > /var/tmp/scwrl_1448938746.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1448938746.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS3-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS4.pdb.gz looking for model 1 # Found a chain break before 73 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS4 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_1992562614.pdb -s /var/tmp/to_scwrl_1992562614.seq -o /var/tmp/from_scwrl_1992562614.pdb > /var/tmp/scwrl_1992562614.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1992562614.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS4-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS5 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_1159704342.pdb -s /var/tmp/to_scwrl_1159704342.seq -o /var/tmp/from_scwrl_1159704342.pdb > /var/tmp/scwrl_1159704342.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1159704342.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 # naming current conformation HHpred1_TS1 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_1137898704.pdb -s /var/tmp/to_scwrl_1137898704.seq -o /var/tmp/from_scwrl_1137898704.pdb > /var/tmp/scwrl_1137898704.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1137898704.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 # naming current conformation HHpred2_TS1 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_918900215.pdb -s /var/tmp/to_scwrl_918900215.seq -o /var/tmp/from_scwrl_918900215.pdb > /var/tmp/scwrl_918900215.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_918900215.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 116 # copying to AlignedFragments data structure # naming current conformation HHpred3_TS1 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_153597416.pdb -s /var/tmp/to_scwrl_153597416.seq -o /var/tmp/from_scwrl_153597416.pdb > /var/tmp/scwrl_153597416.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_153597416.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 T0307 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS1 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_16732256.pdb -s /var/tmp/to_scwrl_16732256.seq -o /var/tmp/from_scwrl_16732256.pdb > /var/tmp/scwrl_16732256.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_16732256.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 T0307 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS2 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_2104272586.pdb -s /var/tmp/to_scwrl_2104272586.seq -o /var/tmp/from_scwrl_2104272586.pdb > /var/tmp/scwrl_2104272586.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2104272586.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 T0307 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS3 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_1060551855.pdb -s /var/tmp/to_scwrl_1060551855.seq -o /var/tmp/from_scwrl_1060551855.pdb > /var/tmp/scwrl_1060551855.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1060551855.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 T0307 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS4 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_1259438677.pdb -s /var/tmp/to_scwrl_1259438677.seq -o /var/tmp/from_scwrl_1259438677.pdb > /var/tmp/scwrl_1259438677.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1259438677.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 T0307 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS5 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_989292658.pdb -s /var/tmp/to_scwrl_989292658.seq -o /var/tmp/from_scwrl_989292658.pdb > /var/tmp/scwrl_989292658.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_989292658.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 T0307 can't currently be optimized by undertaker # naming current conformation LOOPP_TS1 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_1281139042.pdb -s /var/tmp/to_scwrl_1281139042.seq -o /var/tmp/from_scwrl_1281139042.pdb > /var/tmp/scwrl_1281139042.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1281139042.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 T0307 can't currently be optimized by undertaker # naming current conformation LOOPP_TS2 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_490855174.pdb -s /var/tmp/to_scwrl_490855174.seq -o /var/tmp/from_scwrl_490855174.pdb > /var/tmp/scwrl_490855174.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_490855174.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 T0307 can't currently be optimized by undertaker # naming current conformation LOOPP_TS3 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_1070824258.pdb -s /var/tmp/to_scwrl_1070824258.seq -o /var/tmp/from_scwrl_1070824258.pdb > /var/tmp/scwrl_1070824258.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1070824258.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 T0307 can't currently be optimized by undertaker # naming current conformation LOOPP_TS4 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_1769775946.pdb -s /var/tmp/to_scwrl_1769775946.seq -o /var/tmp/from_scwrl_1769775946.pdb > /var/tmp/scwrl_1769775946.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1769775946.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 T0307 can't currently be optimized by undertaker # naming current conformation LOOPP_TS5 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_1014506130.pdb -s /var/tmp/to_scwrl_1014506130.seq -o /var/tmp/from_scwrl_1014506130.pdb > /var/tmp/scwrl_1014506130.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1014506130.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 89 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS1 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_67789028.pdb -s /var/tmp/to_scwrl_67789028.seq -o /var/tmp/from_scwrl_67789028.pdb > /var/tmp/scwrl_67789028.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_67789028.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 # naming current conformation Ma-OPUS-server_TS2 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_198790648.pdb -s /var/tmp/to_scwrl_198790648.seq -o /var/tmp/from_scwrl_198790648.pdb > /var/tmp/scwrl_198790648.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_198790648.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 117 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS3 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_2075551695.pdb -s /var/tmp/to_scwrl_2075551695.seq -o /var/tmp/from_scwrl_2075551695.pdb > /var/tmp/scwrl_2075551695.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2075551695.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 108 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS4 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_1720721229.pdb -s /var/tmp/to_scwrl_1720721229.seq -o /var/tmp/from_scwrl_1720721229.pdb > /var/tmp/scwrl_1720721229.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1720721229.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server_TS4-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS5.pdb.gz looking for model 1 # Found a chain break before 90 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS5 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_64819986.pdb -s /var/tmp/to_scwrl_64819986.seq -o /var/tmp/from_scwrl_64819986.pdb > /var/tmp/scwrl_64819986.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_64819986.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server_TS5-scwrl # ReadConformPDB reading from PDB file servers/MetaTasser_TS1.pdb.gz looking for model 1 # Found a chain break before 131 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS1 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_1632875660.pdb -s /var/tmp/to_scwrl_1632875660.seq -o /var/tmp/from_scwrl_1632875660.pdb > /var/tmp/scwrl_1632875660.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1632875660.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 132 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS2 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_1418442978.pdb -s /var/tmp/to_scwrl_1418442978.seq -o /var/tmp/from_scwrl_1418442978.pdb > /var/tmp/scwrl_1418442978.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1418442978.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 131 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS3 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_1271103109.pdb -s /var/tmp/to_scwrl_1271103109.seq -o /var/tmp/from_scwrl_1271103109.pdb > /var/tmp/scwrl_1271103109.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1271103109.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 132 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS4 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_1357672894.pdb -s /var/tmp/to_scwrl_1357672894.seq -o /var/tmp/from_scwrl_1357672894.pdb > /var/tmp/scwrl_1357672894.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1357672894.pdb # conformation set from SCWRL output # naming current conformation MetaTasser_TS4-scwrl # ReadConformPDB reading from PDB file servers/NN_PUT_lab_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # naming current conformation NN_PUT_lab_TS1 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_1782013225.pdb -s /var/tmp/to_scwrl_1782013225.seq -o /var/tmp/from_scwrl_1782013225.pdb > /var/tmp/scwrl_1782013225.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1782013225.pdb # conformation set from SCWRL output # naming current conformation NN_PUT_lab_TS1-scwrl # ReadConformPDB reading from PDB file servers/POMYSL_TS1.pdb.gz looking for model 1 # Found a chain break before 128 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS1 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_856027375.pdb -s /var/tmp/to_scwrl_856027375.seq -o /var/tmp/from_scwrl_856027375.pdb > /var/tmp/scwrl_856027375.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_856027375.pdb # conformation set from SCWRL output # naming current conformation POMYSL_TS1-scwrl # ReadConformPDB reading from PDB file servers/POMYSL_TS2.pdb.gz looking for model 1 # Found a chain break before 128 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS2 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_849011112.pdb -s /var/tmp/to_scwrl_849011112.seq -o /var/tmp/from_scwrl_849011112.pdb > /var/tmp/scwrl_849011112.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_849011112.pdb # conformation set from SCWRL output # naming current conformation POMYSL_TS2-scwrl # ReadConformPDB reading from PDB file servers/POMYSL_TS3.pdb.gz looking for model 1 # Found a chain break before 89 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS3 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_1238784677.pdb -s /var/tmp/to_scwrl_1238784677.seq -o /var/tmp/from_scwrl_1238784677.pdb > /var/tmp/scwrl_1238784677.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1238784677.pdb # conformation set from SCWRL output # naming current conformation POMYSL_TS3-scwrl # ReadConformPDB reading from PDB file servers/POMYSL_TS4.pdb.gz looking for model 1 # Found a chain break before 126 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS4 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_348226501.pdb -s /var/tmp/to_scwrl_348226501.seq -o /var/tmp/from_scwrl_348226501.pdb > /var/tmp/scwrl_348226501.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_348226501.pdb # conformation set from SCWRL output # naming current conformation POMYSL_TS4-scwrl # ReadConformPDB reading from PDB file servers/POMYSL_TS5.pdb.gz looking for model 1 # Found a chain break before 60 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS5 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_626708933.pdb -s /var/tmp/to_scwrl_626708933.seq -o /var/tmp/from_scwrl_626708933.pdb > /var/tmp/scwrl_626708933.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_626708933.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 120 ; scwrl3 -i /var/tmp/to_scwrl_540239777.pdb -s /var/tmp/to_scwrl_540239777.seq -o /var/tmp/from_scwrl_540239777.pdb > /var/tmp/scwrl_540239777.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_540239777.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 120 ; scwrl3 -i /var/tmp/to_scwrl_193305468.pdb -s /var/tmp/to_scwrl_193305468.seq -o /var/tmp/from_scwrl_193305468.pdb > /var/tmp/scwrl_193305468.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_193305468.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 # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # naming current conformation PROTINFO-AB_TS3 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_1786413275.pdb -s /var/tmp/to_scwrl_1786413275.seq -o /var/tmp/from_scwrl_1786413275.pdb > /var/tmp/scwrl_1786413275.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1786413275.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 # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # naming current conformation PROTINFO-AB_TS4 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_1678138481.pdb -s /var/tmp/to_scwrl_1678138481.seq -o /var/tmp/from_scwrl_1678138481.pdb > /var/tmp/scwrl_1678138481.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1678138481.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 # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # naming current conformation PROTINFO-AB_TS5 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_1112205682.pdb -s /var/tmp/to_scwrl_1112205682.seq -o /var/tmp/from_scwrl_1112205682.pdb > /var/tmp/scwrl_1112205682.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1112205682.pdb # conformation set from SCWRL output # naming current conformation PROTINFO-AB_TS5-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # naming current conformation PROTINFO_TS1 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_1940010691.pdb -s /var/tmp/to_scwrl_1940010691.seq -o /var/tmp/from_scwrl_1940010691.pdb > /var/tmp/scwrl_1940010691.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1940010691.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS1-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # naming current conformation PROTINFO_TS2 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_1694870738.pdb -s /var/tmp/to_scwrl_1694870738.seq -o /var/tmp/from_scwrl_1694870738.pdb > /var/tmp/scwrl_1694870738.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1694870738.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 # naming current conformation PROTINFO_TS3 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_1068994622.pdb -s /var/tmp/to_scwrl_1068994622.seq -o /var/tmp/from_scwrl_1068994622.pdb > /var/tmp/scwrl_1068994622.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1068994622.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 # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # naming current conformation PROTINFO_TS4 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_853078900.pdb -s /var/tmp/to_scwrl_853078900.seq -o /var/tmp/from_scwrl_853078900.pdb > /var/tmp/scwrl_853078900.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_853078900.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS4-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # naming current conformation PROTINFO_TS5 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_806825769.pdb -s /var/tmp/to_scwrl_806825769.seq -o /var/tmp/from_scwrl_806825769.pdb > /var/tmp/scwrl_806825769.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_806825769.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 T0307 can't currently be optimized by undertaker # naming current conformation Pcons6_TS1 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_2058287279.pdb -s /var/tmp/to_scwrl_2058287279.seq -o /var/tmp/from_scwrl_2058287279.pdb > /var/tmp/scwrl_2058287279.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2058287279.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 T0307 can't currently be optimized by undertaker # naming current conformation Pcons6_TS2 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_2134217942.pdb -s /var/tmp/to_scwrl_2134217942.seq -o /var/tmp/from_scwrl_2134217942.pdb > /var/tmp/scwrl_2134217942.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2134217942.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 T0307 can't currently be optimized by undertaker # naming current conformation Pcons6_TS3 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_1297680943.pdb -s /var/tmp/to_scwrl_1297680943.seq -o /var/tmp/from_scwrl_1297680943.pdb > /var/tmp/scwrl_1297680943.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1297680943.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 T0307 can't currently be optimized by undertaker # naming current conformation Pcons6_TS4 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_981627890.pdb -s /var/tmp/to_scwrl_981627890.seq -o /var/tmp/from_scwrl_981627890.pdb > /var/tmp/scwrl_981627890.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_981627890.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 T0307 can't currently be optimized by undertaker # naming current conformation Pcons6_TS5 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_1756510241.pdb -s /var/tmp/to_scwrl_1756510241.seq -o /var/tmp/from_scwrl_1756510241.pdb > /var/tmp/scwrl_1756510241.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1756510241.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 T0307 can't currently be optimized by undertaker # naming current conformation Phyre-1_TS1 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_164703426.pdb -s /var/tmp/to_scwrl_164703426.seq -o /var/tmp/from_scwrl_164703426.pdb > /var/tmp/scwrl_164703426.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_164703426.pdb # conformation set from SCWRL output # naming current conformation Phyre-1_TS1-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS1 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_1049416918.pdb -s /var/tmp/to_scwrl_1049416918.seq -o /var/tmp/from_scwrl_1049416918.pdb > /var/tmp/scwrl_1049416918.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1049416918.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS1-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS2 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_1955300889.pdb -s /var/tmp/to_scwrl_1955300889.seq -o /var/tmp/from_scwrl_1955300889.pdb > /var/tmp/scwrl_1955300889.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1955300889.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 T0307 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS3 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_92771475.pdb -s /var/tmp/to_scwrl_92771475.seq -o /var/tmp/from_scwrl_92771475.pdb > /var/tmp/scwrl_92771475.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_92771475.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 T0307 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS4 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_622654501.pdb -s /var/tmp/to_scwrl_622654501.seq -o /var/tmp/from_scwrl_622654501.pdb > /var/tmp/scwrl_622654501.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_622654501.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS4-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS5 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_2020120876.pdb -s /var/tmp/to_scwrl_2020120876.seq -o /var/tmp/from_scwrl_2020120876.pdb > /var/tmp/scwrl_2020120876.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2020120876.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS5-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS1.pdb.gz looking for model 1 # Found a chain break before 12 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS1 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_1725647135.pdb -s /var/tmp/to_scwrl_1725647135.seq -o /var/tmp/from_scwrl_1725647135.pdb > /var/tmp/scwrl_1725647135.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1725647135.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 12 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS2 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_2041097479.pdb -s /var/tmp/to_scwrl_2041097479.seq -o /var/tmp/from_scwrl_2041097479.pdb > /var/tmp/scwrl_2041097479.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2041097479.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 T0307 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS3 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_1143740338.pdb -s /var/tmp/to_scwrl_1143740338.seq -o /var/tmp/from_scwrl_1143740338.pdb > /var/tmp/scwrl_1143740338.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1143740338.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS3-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS4 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_935836383.pdb -s /var/tmp/to_scwrl_935836383.seq -o /var/tmp/from_scwrl_935836383.pdb > /var/tmp/scwrl_935836383.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_935836383.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 T0307 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS5 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_1675627058.pdb -s /var/tmp/to_scwrl_1675627058.seq -o /var/tmp/from_scwrl_1675627058.pdb > /var/tmp/scwrl_1675627058.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1675627058.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 16 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS1 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_1999767713.pdb -s /var/tmp/to_scwrl_1999767713.seq -o /var/tmp/from_scwrl_1999767713.pdb > /var/tmp/scwrl_1999767713.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1999767713.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 # naming current conformation RAPTOR-ACE_TS2 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_1784847494.pdb -s /var/tmp/to_scwrl_1784847494.seq -o /var/tmp/from_scwrl_1784847494.pdb > /var/tmp/scwrl_1784847494.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1784847494.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 # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS3 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_766928089.pdb -s /var/tmp/to_scwrl_766928089.seq -o /var/tmp/from_scwrl_766928089.pdb > /var/tmp/scwrl_766928089.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_766928089.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 # naming current conformation RAPTOR-ACE_TS4 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_200510567.pdb -s /var/tmp/to_scwrl_200510567.seq -o /var/tmp/from_scwrl_200510567.pdb > /var/tmp/scwrl_200510567.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_200510567.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 107 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS5 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_264072780.pdb -s /var/tmp/to_scwrl_264072780.seq -o /var/tmp/from_scwrl_264072780.pdb > /var/tmp/scwrl_264072780.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_264072780.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 115 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS1 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_1307167865.pdb -s /var/tmp/to_scwrl_1307167865.seq -o /var/tmp/from_scwrl_1307167865.pdb > /var/tmp/scwrl_1307167865.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1307167865.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 115 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS2 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_393816036.pdb -s /var/tmp/to_scwrl_393816036.seq -o /var/tmp/from_scwrl_393816036.pdb > /var/tmp/scwrl_393816036.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_393816036.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 61 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS3 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_2050486056.pdb -s /var/tmp/to_scwrl_2050486056.seq -o /var/tmp/from_scwrl_2050486056.pdb > /var/tmp/scwrl_2050486056.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2050486056.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 36 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS4 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_837822700.pdb -s /var/tmp/to_scwrl_837822700.seq -o /var/tmp/from_scwrl_837822700.pdb > /var/tmp/scwrl_837822700.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_837822700.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 36 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS5 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_1506021718.pdb -s /var/tmp/to_scwrl_1506021718.seq -o /var/tmp/from_scwrl_1506021718.pdb > /var/tmp/scwrl_1506021718.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1506021718.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 115 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS1 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_1843013100.pdb -s /var/tmp/to_scwrl_1843013100.seq -o /var/tmp/from_scwrl_1843013100.pdb > /var/tmp/scwrl_1843013100.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1843013100.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 51 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS2 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_385209791.pdb -s /var/tmp/to_scwrl_385209791.seq -o /var/tmp/from_scwrl_385209791.pdb > /var/tmp/scwrl_385209791.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_385209791.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 108 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS3 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_427532694.pdb -s /var/tmp/to_scwrl_427532694.seq -o /var/tmp/from_scwrl_427532694.pdb > /var/tmp/scwrl_427532694.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_427532694.pdb # conformation set from SCWRL output # naming current conformation RAPTOR_TS3-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR_TS4.pdb.gz looking for model 1 # Found a chain break before 119 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS4 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_548608353.pdb -s /var/tmp/to_scwrl_548608353.seq -o /var/tmp/from_scwrl_548608353.pdb > /var/tmp/scwrl_548608353.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_548608353.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 89 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS5 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_1192035560.pdb -s /var/tmp/to_scwrl_1192035560.seq -o /var/tmp/from_scwrl_1192035560.pdb > /var/tmp/scwrl_1192035560.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1192035560.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 12 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS1 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_338336326.pdb -s /var/tmp/to_scwrl_338336326.seq -o /var/tmp/from_scwrl_338336326.pdb > /var/tmp/scwrl_338336326.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_338336326.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 12 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS2 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_535342648.pdb -s /var/tmp/to_scwrl_535342648.seq -o /var/tmp/from_scwrl_535342648.pdb > /var/tmp/scwrl_535342648.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_535342648.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 12 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS3 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_342232857.pdb -s /var/tmp/to_scwrl_342232857.seq -o /var/tmp/from_scwrl_342232857.pdb > /var/tmp/scwrl_342232857.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_342232857.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 # naming current conformation ROBETTA_TS4 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_1319964216.pdb -s /var/tmp/to_scwrl_1319964216.seq -o /var/tmp/from_scwrl_1319964216.pdb > /var/tmp/scwrl_1319964216.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1319964216.pdb # conformation set from SCWRL output # naming current conformation ROBETTA_TS4-scwrl # ReadConformPDB reading from PDB file servers/ROBETTA_TS5.pdb.gz looking for model 1 # naming current conformation ROBETTA_TS5 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_144369243.pdb -s /var/tmp/to_scwrl_144369243.seq -o /var/tmp/from_scwrl_144369243.pdb > /var/tmp/scwrl_144369243.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_144369243.pdb # conformation set from SCWRL output # naming current conformation ROBETTA_TS5-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS1 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_506936283.pdb -s /var/tmp/to_scwrl_506936283.seq -o /var/tmp/from_scwrl_506936283.pdb > /var/tmp/scwrl_506936283.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_506936283.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS1-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS2 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_221897487.pdb -s /var/tmp/to_scwrl_221897487.seq -o /var/tmp/from_scwrl_221897487.pdb > /var/tmp/scwrl_221897487.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_221897487.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS2-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS3 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_2099670132.pdb -s /var/tmp/to_scwrl_2099670132.seq -o /var/tmp/from_scwrl_2099670132.pdb > /var/tmp/scwrl_2099670132.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2099670132.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS3-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS4 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_599707758.pdb -s /var/tmp/to_scwrl_599707758.seq -o /var/tmp/from_scwrl_599707758.pdb > /var/tmp/scwrl_599707758.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_599707758.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS4-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS5 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_844551988.pdb -s /var/tmp/to_scwrl_844551988.seq -o /var/tmp/from_scwrl_844551988.pdb > /var/tmp/scwrl_844551988.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_844551988.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS5-scwrl # ReadConformPDB reading from PDB file servers/SAM-T02_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL1 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_1972307361.pdb -s /var/tmp/to_scwrl_1972307361.seq -o /var/tmp/from_scwrl_1972307361.pdb > /var/tmp/scwrl_1972307361.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1972307361.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 T0307 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL2 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_177871246.pdb -s /var/tmp/to_scwrl_177871246.seq -o /var/tmp/from_scwrl_177871246.pdb > /var/tmp/scwrl_177871246.log Error: Couldn't open file /var/tmp/from_scwrl_177871246.pdb or /var/tmp/from_scwrl_177871246.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_177871246_b.pdb or decoys//var/tmp/from_scwrl_177871246_b.pdb.gz for input Trying /var/tmp/from_scwrl_177871246_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_177871246_b.pdb or /var/tmp/from_scwrl_177871246_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_177871246_a.pdb or decoys//var/tmp/from_scwrl_177871246_a.pdb.gz for input Trying /var/tmp/from_scwrl_177871246_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_177871246_a.pdb or /var/tmp/from_scwrl_177871246_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_177871246.pdb or /var/tmp/from_scwrl_177871246_b.pdb or /var/tmp/from_scwrl_177871246_a.pdb Error: no new SCWRL conformation added # 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 T0307 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL3 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_738165821.pdb -s /var/tmp/to_scwrl_738165821.seq -o /var/tmp/from_scwrl_738165821.pdb > /var/tmp/scwrl_738165821.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_738165821.pdb # conformation set from SCWRL output # naming current conformation SAM-T02_AL3-scwrl # ReadConformPDB reading from PDB file servers/SAM-T02_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL4 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_968564053.pdb -s /var/tmp/to_scwrl_968564053.seq -o /var/tmp/from_scwrl_968564053.pdb > /var/tmp/scwrl_968564053.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_968564053.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 T0307 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL5 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_1113707628.pdb -s /var/tmp/to_scwrl_1113707628.seq -o /var/tmp/from_scwrl_1113707628.pdb > /var/tmp/scwrl_1113707628.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1113707628.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 T0307 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL1 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_266309232.pdb -s /var/tmp/to_scwrl_266309232.seq -o /var/tmp/from_scwrl_266309232.pdb > /var/tmp/scwrl_266309232.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_266309232.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 Skipped atom 13, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL2.pdb.gz Skipped atom 38, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL2.pdb.gz Skipped atom 39, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL2.pdb.gz Skipped atom 40, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL2.pdb.gz Skipped atom 41, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL2.pdb.gz Skipped atom 102, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL2.pdb.gz Skipped atom 127, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL2.pdb.gz # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL2 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_820848119.pdb -s /var/tmp/to_scwrl_820848119.seq -o /var/tmp/from_scwrl_820848119.pdb > /var/tmp/scwrl_820848119.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_820848119.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL2-scwrl # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS1.pdb.gz looking for model 1 # Found a chain break before 96 # copying to AlignedFragments data structure # naming current conformation SAM_T06_server_TS1 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_751071477.pdb -s /var/tmp/to_scwrl_751071477.seq -o /var/tmp/from_scwrl_751071477.pdb > /var/tmp/scwrl_751071477.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_751071477.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 T0307 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS2 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_1033237321.pdb -s /var/tmp/to_scwrl_1033237321.seq -o /var/tmp/from_scwrl_1033237321.pdb > /var/tmp/scwrl_1033237321.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1033237321.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 T0307 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS3 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_1021358687.pdb -s /var/tmp/to_scwrl_1021358687.seq -o /var/tmp/from_scwrl_1021358687.pdb > /var/tmp/scwrl_1021358687.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1021358687.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 T0307 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS4 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_1015144257.pdb -s /var/tmp/to_scwrl_1015144257.seq -o /var/tmp/from_scwrl_1015144257.pdb > /var/tmp/scwrl_1015144257.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1015144257.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 T0307 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS5 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_192921539.pdb -s /var/tmp/to_scwrl_192921539.seq -o /var/tmp/from_scwrl_192921539.pdb > /var/tmp/scwrl_192921539.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_192921539.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 # naming current conformation SP3_TS1 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_1415174722.pdb -s /var/tmp/to_scwrl_1415174722.seq -o /var/tmp/from_scwrl_1415174722.pdb > /var/tmp/scwrl_1415174722.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1415174722.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 16 # copying to AlignedFragments data structure # naming current conformation SP3_TS2 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_918146666.pdb -s /var/tmp/to_scwrl_918146666.seq -o /var/tmp/from_scwrl_918146666.pdb > /var/tmp/scwrl_918146666.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_918146666.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 84 # copying to AlignedFragments data structure # naming current conformation SP3_TS3 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_1030744239.pdb -s /var/tmp/to_scwrl_1030744239.seq -o /var/tmp/from_scwrl_1030744239.pdb > /var/tmp/scwrl_1030744239.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1030744239.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 49 # copying to AlignedFragments data structure # naming current conformation SP3_TS4 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_773712794.pdb -s /var/tmp/to_scwrl_773712794.seq -o /var/tmp/from_scwrl_773712794.pdb > /var/tmp/scwrl_773712794.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_773712794.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 86 # copying to AlignedFragments data structure # naming current conformation SP3_TS5 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_613676120.pdb -s /var/tmp/to_scwrl_613676120.seq -o /var/tmp/from_scwrl_613676120.pdb > /var/tmp/scwrl_613676120.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_613676120.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 84 # copying to AlignedFragments data structure # naming current conformation SP4_TS1 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_1415954030.pdb -s /var/tmp/to_scwrl_1415954030.seq -o /var/tmp/from_scwrl_1415954030.pdb > /var/tmp/scwrl_1415954030.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1415954030.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 29 # copying to AlignedFragments data structure # naming current conformation SP4_TS2 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_1201245487.pdb -s /var/tmp/to_scwrl_1201245487.seq -o /var/tmp/from_scwrl_1201245487.pdb > /var/tmp/scwrl_1201245487.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1201245487.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 66 # copying to AlignedFragments data structure # naming current conformation SP4_TS3 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_1162284472.pdb -s /var/tmp/to_scwrl_1162284472.seq -o /var/tmp/from_scwrl_1162284472.pdb > /var/tmp/scwrl_1162284472.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1162284472.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 52 # copying to AlignedFragments data structure # naming current conformation SP4_TS4 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_460505944.pdb -s /var/tmp/to_scwrl_460505944.seq -o /var/tmp/from_scwrl_460505944.pdb > /var/tmp/scwrl_460505944.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_460505944.pdb # conformation set from SCWRL output # naming current conformation SP4_TS4-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS5.pdb.gz looking for model 1 # naming current conformation SP4_TS5 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_1539581814.pdb -s /var/tmp/to_scwrl_1539581814.seq -o /var/tmp/from_scwrl_1539581814.pdb > /var/tmp/scwrl_1539581814.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1539581814.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 # naming current conformation SPARKS2_TS1 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_1697627121.pdb -s /var/tmp/to_scwrl_1697627121.seq -o /var/tmp/from_scwrl_1697627121.pdb > /var/tmp/scwrl_1697627121.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1697627121.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 92 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS2 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_802738801.pdb -s /var/tmp/to_scwrl_802738801.seq -o /var/tmp/from_scwrl_802738801.pdb > /var/tmp/scwrl_802738801.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_802738801.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 66 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS3 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_712062384.pdb -s /var/tmp/to_scwrl_712062384.seq -o /var/tmp/from_scwrl_712062384.pdb > /var/tmp/scwrl_712062384.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_712062384.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 # naming current conformation SPARKS2_TS4 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_1841996364.pdb -s /var/tmp/to_scwrl_1841996364.seq -o /var/tmp/from_scwrl_1841996364.pdb > /var/tmp/scwrl_1841996364.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1841996364.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 # naming current conformation SPARKS2_TS5 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_1309675083.pdb -s /var/tmp/to_scwrl_1309675083.seq -o /var/tmp/from_scwrl_1309675083.pdb > /var/tmp/scwrl_1309675083.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1309675083.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 T0307 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS1 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_933959871.pdb -s /var/tmp/to_scwrl_933959871.seq -o /var/tmp/from_scwrl_933959871.pdb > /var/tmp/scwrl_933959871.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_933959871.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_bnmx_TS1-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_bnmx_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS2 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_1794182849.pdb -s /var/tmp/to_scwrl_1794182849.seq -o /var/tmp/from_scwrl_1794182849.pdb > /var/tmp/scwrl_1794182849.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1794182849.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_bnmx_TS2-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_bnmx_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS3 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_1909382842.pdb -s /var/tmp/to_scwrl_1909382842.seq -o /var/tmp/from_scwrl_1909382842.pdb > /var/tmp/scwrl_1909382842.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1909382842.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_bnmx_TS3-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_bnmx_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS4 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_1778511859.pdb -s /var/tmp/to_scwrl_1778511859.seq -o /var/tmp/from_scwrl_1778511859.pdb > /var/tmp/scwrl_1778511859.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1778511859.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_bnmx_TS4-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_bnmx_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS5 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_1619006564.pdb -s /var/tmp/to_scwrl_1619006564.seq -o /var/tmp/from_scwrl_1619006564.pdb > /var/tmp/scwrl_1619006564.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1619006564.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_bnmx_TS5-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_expm_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # naming current conformation UNI-EID_expm_TS1 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_2087254088.pdb -s /var/tmp/to_scwrl_2087254088.seq -o /var/tmp/from_scwrl_2087254088.pdb > /var/tmp/scwrl_2087254088.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2087254088.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_expm_TS1-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL1 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_369194033.pdb -s /var/tmp/to_scwrl_369194033.seq -o /var/tmp/from_scwrl_369194033.pdb > /var/tmp/scwrl_369194033.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_369194033.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_sfst_AL1-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL2 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_440086970.pdb -s /var/tmp/to_scwrl_440086970.seq -o /var/tmp/from_scwrl_440086970.pdb > /var/tmp/scwrl_440086970.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_440086970.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_sfst_AL2-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL3 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_1053478071.pdb -s /var/tmp/to_scwrl_1053478071.seq -o /var/tmp/from_scwrl_1053478071.pdb > /var/tmp/scwrl_1053478071.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1053478071.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_sfst_AL3-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL4 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_635503265.pdb -s /var/tmp/to_scwrl_635503265.seq -o /var/tmp/from_scwrl_635503265.pdb > /var/tmp/scwrl_635503265.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_635503265.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_sfst_AL4-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL5 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_1260935089.pdb -s /var/tmp/to_scwrl_1260935089.seq -o /var/tmp/from_scwrl_1260935089.pdb > /var/tmp/scwrl_1260935089.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1260935089.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_sfst_AL5-scwrl # ReadConformPDB reading from PDB file servers/Zhang-Server_TS1.pdb.gz looking for model 1 # Found a chain break before 128 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS1 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_1804549547.pdb -s /var/tmp/to_scwrl_1804549547.seq -o /var/tmp/from_scwrl_1804549547.pdb > /var/tmp/scwrl_1804549547.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1804549547.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 119 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS2 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_1668740585.pdb -s /var/tmp/to_scwrl_1668740585.seq -o /var/tmp/from_scwrl_1668740585.pdb > /var/tmp/scwrl_1668740585.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1668740585.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 108 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS3 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_134810129.pdb -s /var/tmp/to_scwrl_134810129.seq -o /var/tmp/from_scwrl_134810129.pdb > /var/tmp/scwrl_134810129.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_134810129.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 132 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS4 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_672210157.pdb -s /var/tmp/to_scwrl_672210157.seq -o /var/tmp/from_scwrl_672210157.pdb > /var/tmp/scwrl_672210157.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_672210157.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 119 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS5 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_1861662124.pdb -s /var/tmp/to_scwrl_1861662124.seq -o /var/tmp/from_scwrl_1861662124.pdb > /var/tmp/scwrl_1861662124.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1861662124.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 131 # copying to AlignedFragments data structure # naming current conformation beautshot_TS1 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_1549984851.pdb -s /var/tmp/to_scwrl_1549984851.seq -o /var/tmp/from_scwrl_1549984851.pdb > /var/tmp/scwrl_1549984851.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1549984851.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 T0307 can't currently be optimized by undertaker # naming current conformation beautshotbase_TS1 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_1590356823.pdb -s /var/tmp/to_scwrl_1590356823.seq -o /var/tmp/from_scwrl_1590356823.pdb > /var/tmp/scwrl_1590356823.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1590356823.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 T0307 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation forecast-s_AL1 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_744922716.pdb -s /var/tmp/to_scwrl_744922716.seq -o /var/tmp/from_scwrl_744922716.pdb > /var/tmp/scwrl_744922716.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_744922716.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 T0307 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation forecast-s_AL2 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_176213998.pdb -s /var/tmp/to_scwrl_176213998.seq -o /var/tmp/from_scwrl_176213998.pdb > /var/tmp/scwrl_176213998.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_176213998.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 T0307 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation forecast-s_AL3 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_56549296.pdb -s /var/tmp/to_scwrl_56549296.seq -o /var/tmp/from_scwrl_56549296.pdb > /var/tmp/scwrl_56549296.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_56549296.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 T0307 can't currently be optimized by undertaker # naming current conformation forecast-s_AL4 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_13393099.pdb -s /var/tmp/to_scwrl_13393099.seq -o /var/tmp/from_scwrl_13393099.pdb > /var/tmp/scwrl_13393099.log Error: Couldn't open file /var/tmp/from_scwrl_13393099.pdb or /var/tmp/from_scwrl_13393099.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_13393099_b.pdb or decoys//var/tmp/from_scwrl_13393099_b.pdb.gz for input Trying /var/tmp/from_scwrl_13393099_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_13393099_b.pdb or /var/tmp/from_scwrl_13393099_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_13393099_a.pdb or decoys//var/tmp/from_scwrl_13393099_a.pdb.gz for input Trying /var/tmp/from_scwrl_13393099_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_13393099_a.pdb or /var/tmp/from_scwrl_13393099_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_13393099.pdb or /var/tmp/from_scwrl_13393099_b.pdb or /var/tmp/from_scwrl_13393099_a.pdb Error: no new SCWRL conformation added # 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 T0307 can't currently be optimized by undertaker # naming current conformation forecast-s_AL5 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_1377459486.pdb -s /var/tmp/to_scwrl_1377459486.seq -o /var/tmp/from_scwrl_1377459486.pdb > /var/tmp/scwrl_1377459486.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1377459486.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 T0307 can't currently be optimized by undertaker # naming current conformation gtg_AL1 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_1218833768.pdb -s /var/tmp/to_scwrl_1218833768.seq -o /var/tmp/from_scwrl_1218833768.pdb > /var/tmp/scwrl_1218833768.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1218833768.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 T0307 can't currently be optimized by undertaker # naming current conformation gtg_AL2 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_473899043.pdb -s /var/tmp/to_scwrl_473899043.seq -o /var/tmp/from_scwrl_473899043.pdb > /var/tmp/scwrl_473899043.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_473899043.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 T0307 can't currently be optimized by undertaker # naming current conformation gtg_AL3 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_769557654.pdb -s /var/tmp/to_scwrl_769557654.seq -o /var/tmp/from_scwrl_769557654.pdb > /var/tmp/scwrl_769557654.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_769557654.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 T0307 can't currently be optimized by undertaker # naming current conformation gtg_AL4 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_768977243.pdb -s /var/tmp/to_scwrl_768977243.seq -o /var/tmp/from_scwrl_768977243.pdb > /var/tmp/scwrl_768977243.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_768977243.pdb # conformation set from SCWRL output # naming current conformation gtg_AL4-scwrl # ReadConformPDB reading from PDB file servers/gtg_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # naming current conformation gtg_AL5 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_1276637843.pdb -s /var/tmp/to_scwrl_1276637843.seq -o /var/tmp/from_scwrl_1276637843.pdb > /var/tmp/scwrl_1276637843.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1276637843.pdb # conformation set from SCWRL output # naming current conformation gtg_AL5-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS1.pdb.gz looking for model 1 # Found a chain break before 77 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS1 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_1481620037.pdb -s /var/tmp/to_scwrl_1481620037.seq -o /var/tmp/from_scwrl_1481620037.pdb > /var/tmp/scwrl_1481620037.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1481620037.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.2_TS1-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS2.pdb.gz looking for model 1 # Found a chain break before 45 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS2 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_463489960.pdb -s /var/tmp/to_scwrl_463489960.seq -o /var/tmp/from_scwrl_463489960.pdb > /var/tmp/scwrl_463489960.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_463489960.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.2_TS2-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS3.pdb.gz looking for model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS3 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_438829281.pdb -s /var/tmp/to_scwrl_438829281.seq -o /var/tmp/from_scwrl_438829281.pdb > /var/tmp/scwrl_438829281.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_438829281.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.2_TS3-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS4.pdb.gz looking for model 1 # Found a chain break before 119 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS4 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_268096261.pdb -s /var/tmp/to_scwrl_268096261.seq -o /var/tmp/from_scwrl_268096261.pdb > /var/tmp/scwrl_268096261.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_268096261.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 # naming current conformation karypis.srv.2_TS5 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_110189163.pdb -s /var/tmp/to_scwrl_110189163.seq -o /var/tmp/from_scwrl_110189163.pdb > /var/tmp/scwrl_110189163.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_110189163.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 130 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS1 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_200728476.pdb -s /var/tmp/to_scwrl_200728476.seq -o /var/tmp/from_scwrl_200728476.pdb > /var/tmp/scwrl_200728476.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_200728476.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 130 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS2 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_2046608120.pdb -s /var/tmp/to_scwrl_2046608120.seq -o /var/tmp/from_scwrl_2046608120.pdb > /var/tmp/scwrl_2046608120.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2046608120.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: (T0307)S7.O and (T0307)L8.N only 0.000 apart, marking (T0307)L8.N as missing # WARNING: incomplete conformation T0307 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 120 ; scwrl3 -i /var/tmp/to_scwrl_1729195727.pdb -s /var/tmp/to_scwrl_1729195727.seq -o /var/tmp/from_scwrl_1729195727.pdb > /var/tmp/scwrl_1729195727.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1729195727.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS3-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS4.pdb.gz looking for model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS4 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_140498917.pdb -s /var/tmp/to_scwrl_140498917.seq -o /var/tmp/from_scwrl_140498917.pdb > /var/tmp/scwrl_140498917.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_140498917.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS4-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS5.pdb.gz looking for model 1 # Found a chain break before 126 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS5 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_268318506.pdb -s /var/tmp/to_scwrl_268318506.seq -o /var/tmp/from_scwrl_268318506.pdb > /var/tmp/scwrl_268318506.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_268318506.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 T0307 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS1 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_21799050.pdb -s /var/tmp/to_scwrl_21799050.seq -o /var/tmp/from_scwrl_21799050.pdb > /var/tmp/scwrl_21799050.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_21799050.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 T0307 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS2 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_1193976987.pdb -s /var/tmp/to_scwrl_1193976987.seq -o /var/tmp/from_scwrl_1193976987.pdb > /var/tmp/scwrl_1193976987.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1193976987.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 T0307 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv_TS3 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_903821771.pdb -s /var/tmp/to_scwrl_903821771.seq -o /var/tmp/from_scwrl_903821771.pdb > /var/tmp/scwrl_903821771.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_903821771.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 T0307 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS4 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_1282734139.pdb -s /var/tmp/to_scwrl_1282734139.seq -o /var/tmp/from_scwrl_1282734139.pdb > /var/tmp/scwrl_1282734139.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1282734139.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 T0307 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS5 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_851042888.pdb -s /var/tmp/to_scwrl_851042888.seq -o /var/tmp/from_scwrl_851042888.pdb > /var/tmp/scwrl_851042888.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_851042888.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 108 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS1 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_425078709.pdb -s /var/tmp/to_scwrl_425078709.seq -o /var/tmp/from_scwrl_425078709.pdb > /var/tmp/scwrl_425078709.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_425078709.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 102 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS2 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_1417544268.pdb -s /var/tmp/to_scwrl_1417544268.seq -o /var/tmp/from_scwrl_1417544268.pdb > /var/tmp/scwrl_1417544268.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1417544268.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS2-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # naming current conformation keasar-server_TS3 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_1523253045.pdb -s /var/tmp/to_scwrl_1523253045.seq -o /var/tmp/from_scwrl_1523253045.pdb > /var/tmp/scwrl_1523253045.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1523253045.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS3-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS5.pdb.gz looking for model 1 # Found a chain break before 103 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS5 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_139257186.pdb -s /var/tmp/to_scwrl_139257186.seq -o /var/tmp/from_scwrl_139257186.pdb > /var/tmp/scwrl_139257186.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_139257186.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 T0307 can't currently be optimized by undertaker # naming current conformation mGen-3D_TS1 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_820045473.pdb -s /var/tmp/to_scwrl_820045473.seq -o /var/tmp/from_scwrl_820045473.pdb > /var/tmp/scwrl_820045473.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_820045473.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 T0307 can't currently be optimized by undertaker # naming current conformation nFOLD_TS1 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_966126222.pdb -s /var/tmp/to_scwrl_966126222.seq -o /var/tmp/from_scwrl_966126222.pdb > /var/tmp/scwrl_966126222.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_966126222.pdb # conformation set from SCWRL output # naming current conformation nFOLD_TS1-scwrl # ReadConformPDB reading from PDB file servers/nFOLD_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # naming current conformation nFOLD_TS2 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_884179903.pdb -s /var/tmp/to_scwrl_884179903.seq -o /var/tmp/from_scwrl_884179903.pdb > /var/tmp/scwrl_884179903.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_884179903.pdb # conformation set from SCWRL output # naming current conformation nFOLD_TS2-scwrl # ReadConformPDB reading from PDB file servers/nFOLD_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation nFOLD_TS3 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_996259472.pdb -s /var/tmp/to_scwrl_996259472.seq -o /var/tmp/from_scwrl_996259472.pdb > /var/tmp/scwrl_996259472.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_996259472.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 T0307 can't currently be optimized by undertaker # naming current conformation nFOLD_TS4 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_1022675518.pdb -s /var/tmp/to_scwrl_1022675518.seq -o /var/tmp/from_scwrl_1022675518.pdb > /var/tmp/scwrl_1022675518.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1022675518.pdb # conformation set from SCWRL output # naming current conformation nFOLD_TS4-scwrl # ReadConformPDB reading from PDB file servers/nFOLD_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # naming current conformation nFOLD_TS5 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_897573002.pdb -s /var/tmp/to_scwrl_897573002.seq -o /var/tmp/from_scwrl_897573002.pdb > /var/tmp/scwrl_897573002.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_897573002.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 T0307 can't currently be optimized by undertaker # naming current conformation panther2_TS1 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_226235311.pdb -s /var/tmp/to_scwrl_226235311.seq -o /var/tmp/from_scwrl_226235311.pdb > /var/tmp/scwrl_226235311.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_226235311.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 T0307 can't currently be optimized by undertaker # naming current conformation shub_TS1 # request to SCWRL produces command: ulimit -t 120 ; scwrl3 -i /var/tmp/to_scwrl_94025639.pdb -s /var/tmp/to_scwrl_94025639.seq -o /var/tmp/from_scwrl_94025639.pdb > /var/tmp/scwrl_94025639.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_94025639.pdb # conformation set from SCWRL output # naming current conformation shub_TS1-scwrl # command:CPU_time= 38.956 sec, elapsed time= 225.857 sec. # command:# Prefix for output files set to decoys/ # command:# Will now start reporting costs to decoys/evaluate.anglevector.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 83.100 real_cost = 177.264 shub_TS1 costs 83.094 real_cost = 181.024 panther2_TS1-scwrl costs 92.770 real_cost = 350.406 panther2_TS1 costs 92.800 real_cost = 359.532 nFOLD_TS5-scwrl costs 69.746 real_cost = 255.953 nFOLD_TS5 costs 69.739 real_cost = 305.924 nFOLD_TS4-scwrl costs 70.359 real_cost = 193.401 nFOLD_TS4 costs 70.344 real_cost = 247.583 nFOLD_TS3-scwrl costs 65.280 real_cost = 198.063 nFOLD_TS3 costs 65.280 real_cost = 270.054 nFOLD_TS2-scwrl costs 74.750 real_cost = 232.308 nFOLD_TS2 costs 74.740 real_cost = 277.509 nFOLD_TS1-scwrl costs 67.819 real_cost = 229.086 nFOLD_TS1 costs 67.704 real_cost = 284.175 mGen-3D_TS1-scwrl costs 80.742 real_cost = 256.533 mGen-3D_TS1 costs 80.749 real_cost = 289.766 keasar-server_TS5-scwrl costs 67.909 real_cost = 248.251 keasar-server_TS5 costs 67.909 real_cost = 253.518 keasar-server_TS3-scwrl costs 83.707 real_cost = 193.345 keasar-server_TS3 costs 83.698 real_cost = 222.754 keasar-server_TS2-scwrl costs 73.940 real_cost = 227.656 keasar-server_TS2 costs 73.940 real_cost = 237.520 keasar-server_TS1-scwrl costs 78.867 real_cost = 231.125 keasar-server_TS1 costs 78.867 real_cost = 232.302 karypis.srv_TS5-scwrl costs 91.558 real_cost = 251.486 karypis.srv_TS5 costs 91.636 real_cost = 248.561 karypis.srv_TS4-scwrl costs 81.723 real_cost = 218.356 karypis.srv_TS4 costs 81.582 real_cost = 213.561 karypis.srv_TS3-scwrl costs 81.502 real_cost = 202.758 karypis.srv_TS3 costs 81.502 real_cost = 204.097 karypis.srv_TS2-scwrl costs 78.611 real_cost = 235.057 karypis.srv_TS2 costs 78.612 real_cost = 233.051 karypis.srv_TS1-scwrl costs 71.149 real_cost = 242.698 karypis.srv_TS1 costs 71.156 real_cost = 241.649 karypis.srv.4_TS5-scwrl costs 123.541 real_cost = 237.448 karypis.srv.4_TS5 costs 123.541 real_cost = 237.448 karypis.srv.4_TS4-scwrl costs 103.269 real_cost = 213.844 karypis.srv.4_TS4 costs 103.269 real_cost = 213.850 karypis.srv.4_TS3-scwrl costs 116.589 real_cost = 252.071 karypis.srv.4_TS3 costs 116.589 real_cost = 252.059 karypis.srv.4_TS2-scwrl costs 119.899 real_cost = 225.753 karypis.srv.4_TS2 costs 119.899 real_cost = 225.753 karypis.srv.4_TS1-scwrl costs 108.786 real_cost = 189.108 karypis.srv.4_TS1 costs 108.786 real_cost = 189.108 karypis.srv.2_TS5-scwrl costs 120.388 real_cost = 239.060 karypis.srv.2_TS5 costs 120.388 real_cost = 239.060 karypis.srv.2_TS4-scwrl costs 72.679 real_cost = 148.905 karypis.srv.2_TS4 costs 72.679 real_cost = 148.905 karypis.srv.2_TS3-scwrl costs 67.366 real_cost = 184.008 karypis.srv.2_TS3 costs 67.366 real_cost = 184.008 karypis.srv.2_TS2-scwrl costs 74.352 real_cost = 246.106 karypis.srv.2_TS2 costs 74.352 real_cost = 246.105 karypis.srv.2_TS1-scwrl costs 71.671 real_cost = 213.207 karypis.srv.2_TS1 costs 71.671 real_cost = 213.207 gtg_AL5-scwrl costs 127.298 real_cost = 504.880 gtg_AL5 costs 127.271 real_cost = 513.146 gtg_AL4-scwrl costs 129.245 real_cost = 506.327 gtg_AL4 costs 129.279 real_cost = 505.044 gtg_AL3-scwrl costs 153.889 real_cost = 530.720 gtg_AL3 costs 153.986 real_cost = 530.040 gtg_AL2-scwrl costs 153.930 real_cost = 411.461 gtg_AL2 costs 154.107 real_cost = 511.902 gtg_AL1-scwrl costs 124.588 real_cost = 436.172 gtg_AL1 costs 124.821 real_cost = 455.238 forecast-s_AL5-scwrl costs 85.888 real_cost = 231.239 forecast-s_AL5 costs 85.891 real_cost = 320.609 forecast-s_AL4-scwrl costs 109.010 real_cost = 352.526 forecast-s_AL3-scwrl costs 130.731 real_cost = 333.317 forecast-s_AL3 costs 130.731 real_cost = 415.069 forecast-s_AL2-scwrl costs 133.092 real_cost = 309.930 forecast-s_AL2 costs 133.092 real_cost = 407.780 forecast-s_AL1-scwrl costs 158.695 real_cost = 449.118 forecast-s_AL1 costs 158.695 real_cost = 449.118 beautshotbase_TS1-scwrl costs 72.666 real_cost = 166.329 beautshotbase_TS1 costs 72.658 real_cost = 164.655 beautshot_TS1-scwrl costs 79.508 real_cost = 212.147 beautshot_TS1 costs 79.508 real_cost = 211.235 Zhang-Server_TS5-scwrl costs 43.034 real_cost = 150.723 Zhang-Server_TS5 costs 43.034 real_cost = 161.001 Zhang-Server_TS4-scwrl costs 58.632 real_cost = 148.186 Zhang-Server_TS4 costs 58.632 real_cost = 160.367 Zhang-Server_TS3-scwrl costs 59.291 real_cost = 158.605 Zhang-Server_TS3 costs 59.291 real_cost = 164.647 Zhang-Server_TS2-scwrl costs 47.820 real_cost = 180.122 Zhang-Server_TS2 costs 47.820 real_cost = 188.509 Zhang-Server_TS1-scwrl costs 60.793 real_cost = 160.390 Zhang-Server_TS1 costs 60.793 real_cost = 169.559 UNI-EID_sfst_AL5-scwrl costs 59.844 real_cost = 257.306 UNI-EID_sfst_AL5 costs 59.812 real_cost = 322.963 UNI-EID_sfst_AL4-scwrl costs 80.588 real_cost = 296.214 UNI-EID_sfst_AL4 costs 80.390 real_cost = 332.148 UNI-EID_sfst_AL3-scwrl costs 97.992 real_cost = 341.353 UNI-EID_sfst_AL3 costs 98.030 real_cost = 377.791 UNI-EID_sfst_AL2-scwrl costs 85.378 real_cost = 318.933 UNI-EID_sfst_AL2 costs 85.339 real_cost = 352.017 UNI-EID_sfst_AL1-scwrl costs 84.065 real_cost = 289.488 UNI-EID_sfst_AL1 costs 84.308 real_cost = 349.663 UNI-EID_expm_TS1-scwrl costs 122.882 real_cost = 272.648 UNI-EID_expm_TS1 costs 122.883 real_cost = 321.558 UNI-EID_bnmx_TS5-scwrl costs 60.576 real_cost = 237.710 UNI-EID_bnmx_TS5 costs 60.456 real_cost = 308.973 UNI-EID_bnmx_TS4-scwrl costs 55.016 real_cost = 239.811 UNI-EID_bnmx_TS4 costs 54.922 real_cost = 311.676 UNI-EID_bnmx_TS3-scwrl costs 79.558 real_cost = 259.335 UNI-EID_bnmx_TS3 costs 79.588 real_cost = 324.747 UNI-EID_bnmx_TS2-scwrl costs 71.452 real_cost = 226.659 UNI-EID_bnmx_TS2 costs 71.515 real_cost = 300.555 UNI-EID_bnmx_TS1-scwrl costs 71.859 real_cost = 216.661 UNI-EID_bnmx_TS1 costs 71.879 real_cost = 292.148 SPARKS2_TS5-scwrl costs 53.622 real_cost = 189.538 SPARKS2_TS5 costs 53.622 real_cost = 194.786 SPARKS2_TS4-scwrl costs 70.011 real_cost = 203.294 SPARKS2_TS4 costs 70.011 real_cost = 204.025 SPARKS2_TS3-scwrl costs 55.491 real_cost = 152.429 SPARKS2_TS3 costs 55.491 real_cost = 160.973 SPARKS2_TS2-scwrl costs 45.248 real_cost = 167.826 SPARKS2_TS2 costs 45.248 real_cost = 181.861 SPARKS2_TS1-scwrl costs 67.213 real_cost = 167.593 SPARKS2_TS1 costs 67.213 real_cost = 168.526 SP4_TS5-scwrl costs 68.407 real_cost = 171.214 SP4_TS5 costs 68.407 real_cost = 176.293 SP4_TS4-scwrl costs 59.660 real_cost = 199.227 SP4_TS4 costs 59.660 real_cost = 196.705 SP4_TS3-scwrl costs 44.343 real_cost = 151.859 SP4_TS3 costs 44.343 real_cost = 169.740 SP4_TS2-scwrl costs 52.174 real_cost = 156.755 SP4_TS2 costs 52.174 real_cost = 164.252 SP4_TS1-scwrl costs 67.036 real_cost = 174.358 SP4_TS1 costs 67.036 real_cost = 186.162 SP3_TS5-scwrl costs 130.706 real_cost = 254.472 SP3_TS5 costs 130.706 real_cost = 257.558 SP3_TS4-scwrl costs 52.812 real_cost = 176.574 SP3_TS4 costs 52.812 real_cost = 183.617 SP3_TS3-scwrl costs 67.036 real_cost = 174.358 SP3_TS3 costs 67.036 real_cost = 186.162 SP3_TS2-scwrl costs 68.391 real_cost = 210.230 SP3_TS2 costs 68.391 real_cost = 212.913 SP3_TS1-scwrl costs 53.356 real_cost = 150.572 SP3_TS1 costs 53.356 real_cost = 156.302 SAM_T06_server_TS5-scwrl costs 77.879 real_cost = 274.909 SAM_T06_server_TS5 costs 77.934 real_cost = 265.739 SAM_T06_server_TS4-scwrl costs 61.412 real_cost = 236.837 SAM_T06_server_TS4 costs 61.411 real_cost = 219.045 SAM_T06_server_TS3-scwrl costs 123.091 real_cost = 461.627 SAM_T06_server_TS3 costs 123.108 real_cost = 402.651 SAM_T06_server_TS2-scwrl costs 81.124 real_cost = 307.531 SAM_T06_server_TS2 costs 81.223 real_cost = 296.029 SAM_T06_server_TS1-scwrl costs 45.453 real_cost = 127.001 SAM_T06_server_TS1 costs 45.453 real_cost = 123.483 SAM-T99_AL2-scwrl costs 95.602 real_cost = 369.040 SAM-T99_AL2 costs 95.586 real_cost = 395.078 SAM-T99_AL1-scwrl costs 98.631 real_cost = 298.588 SAM-T99_AL1 costs 98.625 real_cost = 372.930 SAM-T02_AL5-scwrl costs 95.327 real_cost = 319.503 SAM-T02_AL5 costs 95.291 real_cost = 368.496 SAM-T02_AL4-scwrl costs 59.390 real_cost = 222.178 SAM-T02_AL4 costs 59.393 real_cost = 284.346 SAM-T02_AL3-scwrl costs 76.070 real_cost = 286.490 SAM-T02_AL3 costs 76.041 real_cost = 333.814 SAM-T02_AL2-scwrl costs 192.266 real_cost = 425.257 SAM-T02_AL1-scwrl costs 68.774 real_cost = 238.600 SAM-T02_AL1 costs 68.778 real_cost = 302.508 ROKKY_TS5-scwrl costs 57.600 real_cost = 176.299 ROKKY_TS5 costs 57.600 real_cost = 282.221 ROKKY_TS4-scwrl costs 52.032 real_cost = 141.263 ROKKY_TS4 costs 52.032 real_cost = 238.407 ROKKY_TS3-scwrl costs 54.590 real_cost = 176.711 ROKKY_TS3 costs 54.590 real_cost = 280.587 ROKKY_TS2-scwrl costs 52.845 real_cost = 170.739 ROKKY_TS2 costs 52.845 real_cost = 269.840 ROKKY_TS1-scwrl costs 48.945 real_cost = 129.283 ROKKY_TS1 costs 48.945 real_cost = 228.182 ROBETTA_TS5-scwrl costs 48.005 real_cost = 196.097 ROBETTA_TS5 costs 48.005 real_cost = 200.747 ROBETTA_TS4-scwrl costs 50.962 real_cost = 181.512 ROBETTA_TS4 costs 50.962 real_cost = 182.155 ROBETTA_TS3-scwrl costs 40.046 real_cost = 172.244 ROBETTA_TS3 costs 40.046 real_cost = 175.341 ROBETTA_TS2-scwrl costs 36.769 real_cost = 158.842 ROBETTA_TS2 costs 36.769 real_cost = 160.366 ROBETTA_TS1-scwrl costs 37.850 real_cost = 153.628 ROBETTA_TS1 costs 37.850 real_cost = 156.441 RAPTOR_TS5-scwrl costs 57.035 real_cost = 176.337 RAPTOR_TS5 costs 57.035 real_cost = 184.628 RAPTOR_TS4-scwrl costs 75.936 real_cost = 196.651 RAPTOR_TS4 costs 75.936 real_cost = 211.188 RAPTOR_TS3-scwrl costs 63.601 real_cost = 204.563 RAPTOR_TS3 costs 63.601 real_cost = 209.114 RAPTOR_TS2-scwrl costs 66.568 real_cost = 204.440 RAPTOR_TS2 costs 66.568 real_cost = 204.045 RAPTOR_TS1-scwrl costs 55.644 real_cost = 189.829 RAPTOR_TS1 costs 55.644 real_cost = 190.737 RAPTORESS_TS5-scwrl costs 79.820 real_cost = 246.067 RAPTORESS_TS5 costs 79.820 real_cost = 253.908 RAPTORESS_TS4-scwrl costs 71.779 real_cost = 192.632 RAPTORESS_TS4 costs 71.779 real_cost = 201.137 RAPTORESS_TS3-scwrl costs 67.133 real_cost = 217.243 RAPTORESS_TS3 costs 67.133 real_cost = 223.445 RAPTORESS_TS2-scwrl costs 86.018 real_cost = 235.084 RAPTORESS_TS2 costs 86.018 real_cost = 237.550 RAPTORESS_TS1-scwrl costs 75.133 real_cost = 205.076 RAPTORESS_TS1 costs 75.133 real_cost = 212.790 RAPTOR-ACE_TS5-scwrl costs 56.560 real_cost = 174.742 RAPTOR-ACE_TS5 costs 56.560 real_cost = 185.461 RAPTOR-ACE_TS4-scwrl costs 64.566 real_cost = 176.155 RAPTOR-ACE_TS4 costs 64.566 real_cost = 176.692 RAPTOR-ACE_TS3-scwrl costs 73.909 real_cost = 206.283 RAPTOR-ACE_TS3 costs 73.909 real_cost = 207.323 RAPTOR-ACE_TS2-scwrl costs 68.357 real_cost = 202.062 RAPTOR-ACE_TS2 costs 68.357 real_cost = 204.359 RAPTOR-ACE_TS1-scwrl costs 68.391 real_cost = 210.230 RAPTOR-ACE_TS1 costs 68.391 real_cost = 212.913 Pmodeller6_TS5-scwrl costs 48.853 real_cost = 197.284 Pmodeller6_TS5 costs 48.825 real_cost = 193.966 Pmodeller6_TS4-scwrl costs 49.656 real_cost = 195.279 Pmodeller6_TS4 costs 49.627 real_cost = 191.578 Pmodeller6_TS3-scwrl costs 46.995 real_cost = 196.361 Pmodeller6_TS3 costs 46.966 real_cost = 191.636 Pmodeller6_TS2-scwrl costs 37.850 real_cost = 153.628 Pmodeller6_TS2 costs 37.850 real_cost = 156.441 Pmodeller6_TS1-scwrl costs 40.046 real_cost = 172.244 Pmodeller6_TS1 costs 40.046 real_cost = 175.341 Phyre-2_TS5-scwrl costs 68.615 real_cost = 220.937 Phyre-2_TS5 costs 68.615 real_cost = 218.456 Phyre-2_TS4-scwrl costs 58.663 real_cost = 200.450 Phyre-2_TS4 costs 58.663 real_cost = 199.814 Phyre-2_TS3-scwrl costs 74.563 real_cost = 257.409 Phyre-2_TS3 costs 74.563 real_cost = 261.020 Phyre-2_TS2-scwrl costs 77.804 real_cost = 265.155 Phyre-2_TS2 costs 77.804 real_cost = 268.724 Phyre-2_TS1-scwrl costs 65.247 real_cost = 257.568 Phyre-2_TS1 costs 65.247 real_cost = 265.072 Phyre-1_TS1-scwrl costs 95.546 real_cost = 313.320 Phyre-1_TS1 costs 95.559 real_cost = 312.132 Pcons6_TS5-scwrl costs 52.671 real_cost = 190.893 Pcons6_TS5 costs 52.653 real_cost = 188.214 Pcons6_TS4-scwrl costs 46.185 real_cost = 186.427 Pcons6_TS4 costs 46.188 real_cost = 181.519 Pcons6_TS3-scwrl costs 49.969 real_cost = 188.306 Pcons6_TS3 costs 49.951 real_cost = 185.013 Pcons6_TS2-scwrl costs 48.346 real_cost = 180.598 Pcons6_TS2 costs 48.328 real_cost = 177.023 Pcons6_TS1-scwrl costs 43.581 real_cost = 192.795 Pcons6_TS1 costs 43.584 real_cost = 187.459 PROTINFO_TS5-scwrl costs 81.072 real_cost = 255.540 PROTINFO_TS5 costs 81.076 real_cost = 251.176 PROTINFO_TS4-scwrl costs 86.172 real_cost = 244.373 PROTINFO_TS4 costs 86.176 real_cost = 247.648 PROTINFO_TS3-scwrl costs 58.095 real_cost = 199.517 PROTINFO_TS3 costs 58.095 real_cost = 200.925 PROTINFO_TS2-scwrl costs 77.520 real_cost = 234.214 PROTINFO_TS2 costs 77.524 real_cost = 237.229 PROTINFO_TS1-scwrl costs 73.327 real_cost = 252.573 PROTINFO_TS1 costs 73.323 real_cost = 252.981 PROTINFO-AB_TS5-scwrl costs 54.323 real_cost = 202.083 PROTINFO-AB_TS5 costs 54.351 real_cost = 207.150 PROTINFO-AB_TS4-scwrl costs 68.539 real_cost = 236.882 PROTINFO-AB_TS4 costs 68.408 real_cost = 230.765 PROTINFO-AB_TS3-scwrl costs 54.887 real_cost = 178.365 PROTINFO-AB_TS3 costs 54.915 real_cost = 182.130 PROTINFO-AB_TS2-scwrl costs 60.239 real_cost = 187.598 PROTINFO-AB_TS2 costs 60.239 real_cost = 187.333 PROTINFO-AB_TS1-scwrl costs 58.929 real_cost = 169.671 PROTINFO-AB_TS1 costs 58.929 real_cost = 176.801 POMYSL_TS5-scwrl costs 122.831 real_cost = 215.018 POMYSL_TS5 costs 122.831 real_cost = 227.770 POMYSL_TS4-scwrl costs 127.800 real_cost = 181.223 POMYSL_TS4 costs 127.800 real_cost = 189.869 POMYSL_TS3-scwrl costs 121.343 real_cost = 224.674 POMYSL_TS3 costs 121.343 real_cost = 252.355 POMYSL_TS2-scwrl costs 119.222 real_cost = 252.421 POMYSL_TS2 costs 119.222 real_cost = 274.708 POMYSL_TS1-scwrl costs 119.222 real_cost = 252.421 POMYSL_TS1 costs 119.222 real_cost = 274.708 NN_PUT_lab_TS1-scwrl costs 102.784 real_cost = 248.738 NN_PUT_lab_TS1 costs 102.785 real_cost = 254.766 MetaTasser_TS4-scwrl costs 63.253 real_cost = 146.730 MetaTasser_TS4 costs 63.253 real_cost = 143.142 MetaTasser_TS3-scwrl costs 94.976 real_cost = 205.777 MetaTasser_TS3 costs 94.976 real_cost = 211.391 MetaTasser_TS2-scwrl costs 64.505 real_cost = 157.834 MetaTasser_TS2 costs 64.505 real_cost = 162.012 MetaTasser_TS1-scwrl costs 58.887 real_cost = 146.660 MetaTasser_TS1 costs 58.887 real_cost = 148.486 Ma-OPUS-server_TS5-scwrl costs 69.264 real_cost = 197.345 Ma-OPUS-server_TS5 costs 69.264 real_cost = 204.049 Ma-OPUS-server_TS4-scwrl costs 64.945 real_cost = 157.066 Ma-OPUS-server_TS4 costs 64.945 real_cost = 165.860 Ma-OPUS-server_TS3-scwrl costs 58.176 real_cost = 189.362 Ma-OPUS-server_TS3 costs 58.176 real_cost = 192.399 Ma-OPUS-server_TS2-scwrl costs 72.738 real_cost = 187.817 Ma-OPUS-server_TS2 costs 72.738 real_cost = 187.234 Ma-OPUS-server_TS1-scwrl costs 65.999 real_cost = 220.832 Ma-OPUS-server_TS1 costs 65.999 real_cost = 222.514 LOOPP_TS5-scwrl costs 101.079 real_cost = 235.259 LOOPP_TS5 costs 101.114 real_cost = 238.662 LOOPP_TS4-scwrl costs 96.297 real_cost = 304.464 LOOPP_TS4 costs 96.291 real_cost = 310.350 LOOPP_TS3-scwrl costs 113.756 real_cost = 283.804 LOOPP_TS3 costs 113.710 real_cost = 281.857 LOOPP_TS2-scwrl costs 89.296 real_cost = 194.636 LOOPP_TS2 costs 89.309 real_cost = 200.829 LOOPP_TS1-scwrl costs 102.784 real_cost = 248.738 LOOPP_TS1 costs 102.785 real_cost = 254.766 Huber-Torda-Server_TS5-scwrl costs 81.502 real_cost = 309.239 Huber-Torda-Server_TS5 costs 81.399 real_cost = 311.610 Huber-Torda-Server_TS4-scwrl costs 97.260 real_cost = 301.012 Huber-Torda-Server_TS4 costs 97.342 real_cost = 322.620 Huber-Torda-Server_TS3-scwrl costs 82.731 real_cost = 312.024 Huber-Torda-Server_TS3 costs 82.697 real_cost = 333.908 Huber-Torda-Server_TS2-scwrl costs 100.092 real_cost = 346.576 Huber-Torda-Server_TS2 costs 100.006 real_cost = 364.748 Huber-Torda-Server_TS1-scwrl costs 134.483 real_cost = 386.758 Huber-Torda-Server_TS1 costs 134.458 real_cost = 382.313 HHpred3_TS1-scwrl costs 64.786 real_cost = 172.658 HHpred3_TS1 costs 64.786 real_cost = 180.977 HHpred2_TS1-scwrl costs 76.370 real_cost = 267.590 HHpred2_TS1 costs 76.370 real_cost = 274.439 HHpred1_TS1-scwrl costs 76.370 real_cost = 267.590 HHpred1_TS1 costs 76.370 real_cost = 274.439 GeneSilicoMetaServer_TS5-scwrl costs 135.835 real_cost = 292.234 GeneSilicoMetaServer_TS5 costs 135.859 real_cost = 312.229 GeneSilicoMetaServer_TS4-scwrl costs 67.916 real_cost = 184.653 GeneSilicoMetaServer_TS4 costs 67.916 real_cost = 194.530 GeneSilicoMetaServer_TS3-scwrl costs 62.720 real_cost = 202.461 GeneSilicoMetaServer_TS3 costs 62.721 real_cost = 202.108 GeneSilicoMetaServer_TS2-scwrl costs 76.112 real_cost = 216.722 GeneSilicoMetaServer_TS2 costs 76.113 real_cost = 228.459 GeneSilicoMetaServer_TS1-scwrl costs 63.004 real_cost = 189.668 GeneSilicoMetaServer_TS1 costs 63.004 real_cost = 198.550 FUNCTION_TS5-scwrl costs 67.094 real_cost = 190.267 FUNCTION_TS5 costs 67.094 real_cost = 192.951 FUNCTION_TS4-scwrl costs 66.995 real_cost = 183.139 FUNCTION_TS4 costs 66.995 real_cost = 184.290 FUNCTION_TS3-scwrl costs 74.412 real_cost = 165.360 FUNCTION_TS3 costs 74.412 real_cost = 169.942 FUNCTION_TS2-scwrl costs 62.125 real_cost = 199.159 FUNCTION_TS2 costs 62.125 real_cost = 200.390 FUNCTION_TS1-scwrl costs 74.587 real_cost = 185.094 FUNCTION_TS1 costs 74.587 real_cost = 191.956 FUGUE_AL5-scwrl costs 105.232 real_cost = 358.998 FUGUE_AL5 costs 105.232 real_cost = 354.068 FUGUE_AL4-scwrl costs 86.278 real_cost = 266.699 FUGUE_AL4 costs 86.308 real_cost = 319.572 FUGUE_AL3-scwrl costs 85.369 real_cost = 287.850 FUGUE_AL3 costs 85.420 real_cost = 352.607 FUGUE_AL2-scwrl costs 64.320 real_cost = 295.830 FUGUE_AL2 costs 64.320 real_cost = 296.096 FUGUE_AL1-scwrl costs 100.765 real_cost = 284.499 FUGUE_AL1 costs 100.756 real_cost = 350.484 FUGMOD_TS5-scwrl costs 98.396 real_cost = 271.727 FUGMOD_TS5 costs 98.396 real_cost = 274.043 FUGMOD_TS4-scwrl costs 80.058 real_cost = 223.717 FUGMOD_TS4 costs 80.049 real_cost = 219.835 FUGMOD_TS3-scwrl costs 71.978 real_cost = 218.197 FUGMOD_TS3 costs 71.978 real_cost = 221.629 FUGMOD_TS2-scwrl costs 60.745 real_cost = 189.685 FUGMOD_TS2 costs 60.745 real_cost = 201.582 FUGMOD_TS1-scwrl costs 80.365 real_cost = 224.436 FUGMOD_TS1 costs 80.365 real_cost = 228.627 FPSOLVER-SERVER_TS5-scwrl costs 133.440 real_cost = 298.075 FPSOLVER-SERVER_TS5 costs 133.440 real_cost = 304.176 FPSOLVER-SERVER_TS4-scwrl costs 117.084 real_cost = 271.806 FPSOLVER-SERVER_TS4 costs 117.084 real_cost = 288.444 FPSOLVER-SERVER_TS3-scwrl costs 122.811 real_cost = 285.686 FPSOLVER-SERVER_TS3 costs 122.811 real_cost = 296.210 FPSOLVER-SERVER_TS2-scwrl costs 122.729 real_cost = 267.558 FPSOLVER-SERVER_TS2 costs 122.729 real_cost = 282.322 FPSOLVER-SERVER_TS1-scwrl costs 119.766 real_cost = 253.729 FPSOLVER-SERVER_TS1 costs 119.766 real_cost = 254.709 FORTE2_AL5-scwrl costs 106.468 real_cost = 321.135 FORTE2_AL5 costs 106.497 real_cost = 393.287 FORTE2_AL4-scwrl costs 86.884 real_cost = 274.258 FORTE2_AL4 costs 86.901 real_cost = 360.468 FORTE2_AL3-scwrl costs 119.303 real_cost = 312.070 FORTE2_AL3 costs 119.308 real_cost = 376.203 FORTE2_AL2-scwrl costs 97.500 real_cost = 256.130 FORTE2_AL2 costs 97.457 real_cost = 348.035 FORTE2_AL1-scwrl costs 84.117 real_cost = 234.915 FORTE2_AL1 costs 84.117 real_cost = 326.236 FORTE1_AL5-scwrl costs 86.884 real_cost = 274.258 FORTE1_AL5 costs 86.901 real_cost = 360.468 FORTE1_AL4-scwrl costs 119.303 real_cost = 312.070 FORTE1_AL4 costs 119.308 real_cost = 376.203 FORTE1_AL3-scwrl costs 116.006 real_cost = 373.593 FORTE1_AL3 costs 116.006 real_cost = 367.885 FORTE1_AL2-scwrl costs 97.500 real_cost = 256.130 FORTE1_AL2 costs 97.457 real_cost = 348.035 FORTE1_AL1-scwrl costs 84.117 real_cost = 234.915 FORTE1_AL1 costs 84.117 real_cost = 326.236 FOLDpro_TS5-scwrl costs 87.948 real_cost = 266.289 FOLDpro_TS5 costs 87.948 real_cost = 263.999 FOLDpro_TS4-scwrl costs 90.265 real_cost = 253.490 FOLDpro_TS4 costs 90.265 real_cost = 254.693 FOLDpro_TS3-scwrl costs 89.679 real_cost = 265.305 FOLDpro_TS3 costs 89.679 real_cost = 263.858 FOLDpro_TS2-scwrl costs 116.098 real_cost = 307.294 FOLDpro_TS2 costs 116.098 real_cost = 307.738 FOLDpro_TS1-scwrl costs 97.711 real_cost = 233.765 FOLDpro_TS1 costs 97.711 real_cost = 246.464 FAMS_TS5-scwrl costs 50.745 real_cost = 206.378 FAMS_TS5 costs 50.745 real_cost = 210.777 FAMS_TS4-scwrl costs 63.131 real_cost = 181.088 FAMS_TS4 costs 63.131 real_cost = 186.512 FAMS_TS3-scwrl costs 62.936 real_cost = 191.544 FAMS_TS3 costs 62.936 real_cost = 191.422 FAMS_TS2-scwrl costs 62.936 real_cost = 191.544 FAMS_TS2 costs 62.936 real_cost = 191.422 FAMS_TS1-scwrl costs 64.686 real_cost = 167.188 FAMS_TS1 costs 64.686 real_cost = 168.288 FAMSD_TS5-scwrl costs 76.329 real_cost = 206.104 FAMSD_TS5 costs 76.329 real_cost = 212.688 FAMSD_TS4-scwrl costs 68.304 real_cost = 199.362 FAMSD_TS4 costs 68.304 real_cost = 204.494 FAMSD_TS3-scwrl costs 69.984 real_cost = 172.269 FAMSD_TS3 costs 69.994 real_cost = 175.258 FAMSD_TS2-scwrl costs 61.731 real_cost = 197.653 FAMSD_TS2 costs 61.731 real_cost = 197.860 FAMSD_TS1-scwrl costs 62.936 real_cost = 191.544 FAMSD_TS1 costs 62.936 real_cost = 191.422 Distill_TS5-scwrl costs 238.177 real_cost = 424.181 Distill_TS4-scwrl costs 233.093 real_cost = 423.791 Distill_TS3-scwrl costs 236.351 real_cost = 424.100 Distill_TS2-scwrl costs 236.699 real_cost = 424.267 Distill_TS1-scwrl costs 232.819 real_cost = 424.939 CaspIta-FOX_TS5-scwrl costs 113.534 real_cost = 286.727 CaspIta-FOX_TS5 costs 113.550 real_cost = 290.650 CaspIta-FOX_TS4-scwrl costs 86.963 real_cost = 227.965 CaspIta-FOX_TS4 costs 86.991 real_cost = 228.012 CaspIta-FOX_TS3-scwrl costs 80.697 real_cost = 204.390 CaspIta-FOX_TS3 costs 80.686 real_cost = 201.999 CaspIta-FOX_TS2-scwrl costs 83.860 real_cost = 265.725 CaspIta-FOX_TS2 costs 83.837 real_cost = 260.714 CaspIta-FOX_TS1-scwrl costs 74.870 real_cost = 213.457 CaspIta-FOX_TS1 costs 74.870 real_cost = 212.002 CIRCLE_TS5-scwrl costs 54.140 real_cost = 184.647 CIRCLE_TS5 costs 54.140 real_cost = 190.129 CIRCLE_TS4-scwrl costs 50.745 real_cost = 206.378 CIRCLE_TS4 costs 50.745 real_cost = 210.777 CIRCLE_TS3-scwrl costs 54.670 real_cost = 154.855 CIRCLE_TS3 costs 54.670 real_cost = 159.674 CIRCLE_TS2-scwrl costs 63.131 real_cost = 181.088 CIRCLE_TS2 costs 63.131 real_cost = 186.512 CIRCLE_TS1-scwrl costs 62.936 real_cost = 191.544 CIRCLE_TS1 costs 62.936 real_cost = 191.422 Bilab-ENABLE_TS5-scwrl costs 53.368 real_cost = 211.554 Bilab-ENABLE_TS5 costs 53.368 real_cost = 211.554 Bilab-ENABLE_TS4-scwrl costs 37.055 real_cost = 149.110 Bilab-ENABLE_TS4 costs 37.055 real_cost = 149.545 Bilab-ENABLE_TS3-scwrl costs 58.359 real_cost = 209.746 Bilab-ENABLE_TS3 costs 58.359 real_cost = 209.719 Bilab-ENABLE_TS2-scwrl costs 36.612 real_cost = 185.387 Bilab-ENABLE_TS2 costs 36.612 real_cost = 184.940 Bilab-ENABLE_TS1-scwrl costs 55.439 real_cost = 222.895 Bilab-ENABLE_TS1 costs 55.439 real_cost = 223.309 BayesHH_TS1-scwrl costs 55.726 real_cost = 163.551 BayesHH_TS1 costs 55.726 real_cost = 168.899 ABIpro_TS5-scwrl costs 46.146 real_cost = 176.179 ABIpro_TS5 costs 46.146 real_cost = 176.185 ABIpro_TS4-scwrl costs 48.866 real_cost = 171.936 ABIpro_TS4 costs 48.866 real_cost = 171.927 ABIpro_TS3-scwrl costs 48.888 real_cost = 186.806 ABIpro_TS3 costs 48.888 real_cost = 186.813 ABIpro_TS2-scwrl costs 53.760 real_cost = 195.165 ABIpro_TS2 costs 53.760 real_cost = 195.382 ABIpro_TS1-scwrl costs 54.332 real_cost = 220.409 ABIpro_TS1 costs 54.332 real_cost = 220.410 3Dpro_TS5-scwrl costs 53.760 real_cost = 195.165 3Dpro_TS5 costs 53.760 real_cost = 195.382 3Dpro_TS4-scwrl costs 54.332 real_cost = 220.409 3Dpro_TS4 costs 54.332 real_cost = 220.410 3Dpro_TS3-scwrl costs 74.441 real_cost = 218.446 3Dpro_TS3 costs 74.441 real_cost = 223.190 3Dpro_TS2-scwrl costs 93.429 real_cost = 208.182 3Dpro_TS2 costs 93.429 real_cost = 210.932 3Dpro_TS1-scwrl costs 57.842 real_cost = 159.262 3Dpro_TS1 costs 57.842 real_cost = 170.874 3D-JIGSAW_TS1-scwrl costs 63.641 real_cost = 217.080 3D-JIGSAW_TS1 costs 63.641 real_cost = 218.460 3D-JIGSAW_RECOM_TS1-scwrl costs 63.641 real_cost = 217.080 3D-JIGSAW_RECOM_TS1 costs 63.641 real_cost = 218.460 3D-JIGSAW_POPULUS_TS5-scwrl costs 63.641 real_cost = 217.080 3D-JIGSAW_POPULUS_TS5 costs 63.641 real_cost = 218.460 3D-JIGSAW_POPULUS_TS4-scwrl costs 63.641 real_cost = 217.080 3D-JIGSAW_POPULUS_TS4 costs 63.641 real_cost = 218.460 3D-JIGSAW_POPULUS_TS3-scwrl costs 63.641 real_cost = 217.080 3D-JIGSAW_POPULUS_TS3 costs 63.641 real_cost = 218.460 3D-JIGSAW_POPULUS_TS2-scwrl costs 63.641 real_cost = 217.080 3D-JIGSAW_POPULUS_TS2 costs 63.641 real_cost = 218.460 3D-JIGSAW_POPULUS_TS1-scwrl costs 63.641 real_cost = 217.080 3D-JIGSAW_POPULUS_TS1 costs 63.641 real_cost = 218.460 edit9.pdb.gz costs 71.420 real_cost = 146.517 edit3.pdb.gz costs 73.232 real_cost = 157.215 edit2.pdb.gz costs 70.457 real_cost = 152.523 T0307.try9-opt2.repack-nonPC.pdb.gz costs 63.325 real_cost = 183.676 T0307.try9-opt2.pdb.gz costs 63.325 real_cost = 184.653 T0307.try9-opt2.gromacs0.repack-nonPC.pdb.gz costs 59.213 real_cost = 179.642 T0307.try9-opt2.gromacs0.pdb.gz costs 59.213 real_cost = 180.268 T0307.try9-opt1.pdb.gz costs 63.108 real_cost = 187.972 T0307.try9-opt1-scwrl.pdb.gz costs 63.108 real_cost = 188.639 T0307.try8-opt2.repack-nonPC.pdb.gz costs 46.648 real_cost = 151.227 T0307.try8-opt2.pdb.gz costs 46.648 real_cost = 153.529 T0307.try8-opt2.gromacs0.repack-nonPC.pdb.gz costs 36.147 real_cost = 150.651 T0307.try8-opt2.gromacs0.pdb.gz costs 36.147 real_cost = 154.311 T0307.try8-opt1.pdb.gz costs 40.590 real_cost = 158.291 T0307.try8-opt1-scwrl.pdb.gz costs 40.590 real_cost = 156.710 T0307.try7-opt2.repack-nonPC.pdb.gz costs 43.264 real_cost = 150.954 T0307.try7-opt2.pdb.gz costs 43.264 real_cost = 152.146 T0307.try7-opt2.gromacs0.repack-nonPC.pdb.gz costs 35.322 real_cost = 147.632 T0307.try7-opt2.gromacs0.pdb.gz costs 35.322 real_cost = 149.729 T0307.try7-opt1.pdb.gz costs 43.208 real_cost = 149.842 T0307.try7-opt1-scwrl.pdb.gz costs 43.208 real_cost = 149.441 T0307.try5-opt2.repack-nonPC.pdb.gz costs 58.643 real_cost = 180.112 T0307.try5-opt2.pdb.gz costs 58.643 real_cost = 177.375 T0307.try5-opt2.gromacs0.pdb.gz costs 47.990 real_cost = 178.629 T0307.try5-opt1.pdb.gz costs 54.341 real_cost = 176.213 T0307.try5-opt1-scwrl.pdb.gz costs 54.341 real_cost = 175.958 T0307.try4-opt2.repack-nonPC.pdb.gz costs 72.355 real_cost = 217.485 T0307.try4-opt2.pdb.gz costs 72.355 real_cost = 216.712 T0307.try4-opt2.gromacs0.pdb.gz costs 59.133 real_cost = 217.982 T0307.try4-opt1.pdb.gz costs 68.926 real_cost = 220.162 T0307.try4-opt1-scwrl.pdb.gz costs 68.926 real_cost = 220.040 T0307.try3-opt2.repack-nonPC.pdb.gz costs 58.940 real_cost = 186.608 T0307.try3-opt2.pdb.gz costs 58.940 real_cost = 183.434 T0307.try3-opt2.gromacs0.pdb.gz costs 46.972 real_cost = 184.454 T0307.try3-opt1.pdb.gz costs 53.563 real_cost = 186.172 T0307.try3-opt1-scwrl.pdb.gz costs 53.563 real_cost = 185.529 T0307.try29-opt2.repack-nonPC.pdb.gz costs 63.170 real_cost = 177.352 T0307.try29-opt2.pdb.gz costs 63.170 real_cost = 175.716 T0307.try29-opt2.gromacs0.repack-nonPC.pdb.gz costs 47.828 real_cost = 170.154 T0307.try29-opt2.gromacs0.pdb.gz costs 47.828 real_cost = 170.278 T0307.try29-opt1.pdb.gz costs 59.522 real_cost = 175.285 T0307.try29-opt1-scwrl.pdb.gz costs 59.522 real_cost = 167.765 T0307.try28-opt2.repack-nonPC.pdb.gz costs 60.223 real_cost = 177.606 T0307.try28-opt2.pdb.gz costs 60.223 real_cost = 174.708 T0307.try28-opt2.gromacs0.repack-nonPC.pdb.gz costs 45.928 real_cost = 170.732 T0307.try28-opt2.gromacs0.pdb.gz costs 45.928 real_cost = 172.574 T0307.try28-opt1.pdb.gz costs 59.015 real_cost = 177.341 T0307.try28-opt1-scwrl.pdb.gz costs 59.015 real_cost = 167.950 T0307.try27-opt2.repack-nonPC.pdb.gz costs 59.522 real_cost = 173.282 T0307.try27-opt2.pdb.gz costs 59.522 real_cost = 173.531 T0307.try27-opt2.gromacs0.repack-nonPC.pdb.gz costs 46.850 real_cost = 168.654 T0307.try27-opt2.gromacs0.pdb.gz costs 46.850 real_cost = 174.333 T0307.try27-opt1.pdb.gz costs 56.896 real_cost = 164.895 T0307.try27-opt1-scwrl.pdb.gz costs 56.896 real_cost = 164.000 T0307.try26-opt2.repack-nonPC.pdb.gz costs 65.376 real_cost = 138.205 T0307.try26-opt2.pdb.gz costs 65.376 real_cost = 139.841 T0307.try26-opt2.gromacs0.repack-nonPC.pdb.gz costs 42.895 real_cost = 138.500 T0307.try26-opt2.gromacs0.pdb.gz costs 42.895 real_cost = 140.080 T0307.try26-opt1.pdb.gz costs 63.667 real_cost = 138.790 T0307.try26-opt1-scwrl.pdb.gz costs 63.667 real_cost = 137.265 T0307.try25-opt2.repack-nonPC.pdb.gz costs 58.952 real_cost = 173.256 T0307.try25-opt2.pdb.gz costs 58.952 real_cost = 174.151 T0307.try25-opt2.gromacs0.repack-nonPC.pdb.gz costs 48.657 real_cost = 169.461 T0307.try25-opt2.gromacs0.pdb.gz costs 48.657 real_cost = 170.217 T0307.try25-opt1.pdb.gz costs 57.450 real_cost = 173.511 T0307.try25-opt1-scwrl.pdb.gz costs 57.450 real_cost = 171.908 T0307.try24-opt2.repack-nonPC.pdb.gz costs 39.789 real_cost = 156.166 T0307.try24-opt2.pdb.gz costs 39.789 real_cost = 159.754 T0307.try24-opt2.gromacs0.repack-nonPC.pdb.gz costs 36.146 real_cost = 155.839 T0307.try24-opt2.gromacs0.pdb.gz costs 36.146 real_cost = 157.934 T0307.try24-opt1.pdb.gz costs 37.996 real_cost = 159.176 T0307.try24-opt1-scwrl.pdb.gz costs 37.996 real_cost = 157.325 T0307.try23-opt2.repack-nonPC.pdb.gz costs 72.137 real_cost = 151.776 T0307.try23-opt2.pdb.gz costs 72.137 real_cost = 150.777 T0307.try23-opt2.gromacs0.repack-nonPC.pdb.gz costs 56.132 real_cost = 154.555 T0307.try23-opt2.gromacs0.pdb.gz costs 56.132 real_cost = 155.224 T0307.try23-opt1.pdb.gz costs 65.482 real_cost = 149.976 T0307.try23-opt1-scwrl.pdb.gz costs 65.482 real_cost = 152.464 T0307.try22-opt2.repack-nonPC.pdb.gz costs 68.595 real_cost = 153.868 T0307.try22-opt2.pdb.gz costs 68.595 real_cost = 152.626 T0307.try22-opt2.gromacs0.repack-nonPC.pdb.gz costs 56.239 real_cost = 157.571 T0307.try22-opt2.gromacs0.pdb.gz costs 56.239 real_cost = 155.603 T0307.try22-opt1.pdb.gz costs 64.999 real_cost = 154.192 T0307.try22-opt1-scwrl.pdb.gz costs 64.999 real_cost = 153.347 T0307.try21-opt2.repack-nonPC.pdb.gz costs 62.076 real_cost = 160.117 T0307.try21-opt2.pdb.gz costs 62.076 real_cost = 159.039 T0307.try21-opt2.gromacs0.repack-nonPC.pdb.gz costs 49.823 real_cost = 160.883 T0307.try21-opt2.gromacs0.pdb.gz costs 49.823 real_cost = 160.283 T0307.try21-opt1.pdb.gz costs 61.245 real_cost = 159.047 T0307.try21-opt1-scwrl.pdb.gz costs 61.245 real_cost = 160.540 T0307.try20-opt2.repack-nonPC.pdb.gz costs 67.142 real_cost = 162.117 T0307.try20-opt2.pdb.gz costs 67.142 real_cost = 161.261 T0307.try20-opt2.gromacs0.repack-nonPC.pdb.gz costs 50.171 real_cost = 159.402 T0307.try20-opt2.gromacs0.pdb.gz costs 50.171 real_cost = 159.012 T0307.try20-opt1.pdb.gz costs 60.846 real_cost = 154.391 T0307.try20-opt1-scwrl.pdb.gz costs 60.846 real_cost = 152.149 T0307.try2-opt2.repack-nonPC.pdb.gz costs 59.652 real_cost = 151.160 T0307.try2-opt2.pdb.gz costs 59.652 real_cost = 153.755 T0307.try2-opt2.gromacs0.pdb.gz costs 49.670 real_cost = 156.751 T0307.try2-opt1.pdb.gz costs 53.694 real_cost = 153.675 T0307.try2-opt1-scwrl.pdb.gz costs 53.694 real_cost = 149.798 T0307.try18-opt2.repack-nonPC.pdb.gz costs 70.224 real_cost = 149.904 T0307.try18-opt2.pdb.gz costs 70.224 real_cost = 152.434 T0307.try18-opt2.gromacs0.repack-nonPC.pdb.gz costs 52.952 real_cost = 148.722 T0307.try18-opt2.gromacs0.pdb.gz costs 52.952 real_cost = 150.210 T0307.try18-opt1.pdb.gz costs 79.699 real_cost = 151.247 T0307.try18-opt1-scwrl.pdb.gz costs 79.699 real_cost = 148.867 T0307.try17-opt2.repack-nonPC.pdb.gz costs 80.205 real_cost = 161.333 T0307.try17-opt2.pdb.gz costs 80.205 real_cost = 165.008 T0307.try17-opt2.gromacs0.repack-nonPC.pdb.gz costs 63.106 real_cost = 170.085 T0307.try17-opt2.gromacs0.pdb.gz costs 63.106 real_cost = 176.068 T0307.try17-opt1.pdb.gz costs 73.936 real_cost = 164.751 T0307.try17-opt1-scwrl.pdb.gz costs 73.936 real_cost = 166.079 T0307.try16-opt2.repack-nonPC.pdb.gz costs 57.951 real_cost = 163.187 T0307.try16-opt2.pdb.gz costs 57.951 real_cost = 164.533 T0307.try16-opt2.gromacs0.repack-nonPC.pdb.gz costs 42.959 real_cost = 164.312 T0307.try16-opt2.gromacs0.pdb.gz costs 42.959 real_cost = 165.001 T0307.try16-opt1.pdb.gz costs 53.548 real_cost = 170.409 T0307.try16-opt1-scwrl.pdb.gz costs 53.548 real_cost = 170.216 T0307.try15-opt2.repack-nonPC.pdb.gz costs 68.057 real_cost = 172.183 T0307.try15-opt2.pdb.gz costs 68.057 real_cost = 173.035 T0307.try15-opt2.gromacs0.repack-nonPC.pdb.gz costs 52.740 real_cost = 172.888 T0307.try15-opt2.gromacs0.pdb.gz costs 52.740 real_cost = 174.468 T0307.try15-opt1.pdb.gz costs 61.971 real_cost = 177.109 T0307.try15-opt1-scwrl.pdb.gz costs 61.971 real_cost = 174.558 T0307.try14-opt2.repack-nonPC.pdb.gz costs 59.417 real_cost = 153.473 T0307.try14-opt2.pdb.gz costs 59.417 real_cost = 150.467 T0307.try14-opt2.gromacs0.repack-nonPC.pdb.gz costs 43.196 real_cost = 156.415 T0307.try14-opt2.gromacs0.pdb.gz costs 43.196 real_cost = 154.961 T0307.try14-opt1.pdb.gz costs 58.211 real_cost = 151.372 T0307.try14-opt1-scwrl.pdb.gz costs 58.211 real_cost = 151.214 T0307.try13-opt2.repack-nonPC.pdb.gz costs 60.843 real_cost = 143.601 T0307.try13-opt2.pdb.gz costs 60.843 real_cost = 142.500 T0307.try13-opt2.gromacs0.repack-nonPC.pdb.gz costs 52.350 real_cost = 125.723 T0307.try13-opt2.gromacs0.pdb.gz costs 52.350 real_cost = 130.856 T0307.try13-opt1.pdb.gz costs 58.483 real_cost = 127.869 T0307.try13-opt1-scwrl.pdb.gz costs 58.483 real_cost = 126.565 T0307.try12-opt2.repack-nonPC.pdb.gz costs 57.019 real_cost = 148.308 T0307.try12-opt2.pdb.gz costs 57.019 real_cost = 147.461 T0307.try12-opt2.gromacs0.repack-nonPC.pdb.gz costs 43.494 real_cost = 151.855 T0307.try12-opt2.gromacs0.pdb.gz costs 43.494 real_cost = 151.707 T0307.try12-opt1.pdb.gz costs 50.460 real_cost = 151.933 T0307.try12-opt1-scwrl.pdb.gz costs 50.460 real_cost = 150.931 T0307.try11-opt2.repack-nonPC.pdb.gz costs 82.138 real_cost = 152.654 T0307.try11-opt2.pdb.gz costs 82.138 real_cost = 153.345 T0307.try11-opt2.gromacs0.repack-nonPC.pdb.gz costs 68.815 real_cost = 155.907 T0307.try11-opt2.gromacs0.pdb.gz costs 68.815 real_cost = 155.528 T0307.try11-opt1.pdb.gz costs 78.381 real_cost = 153.647 T0307.try11-opt1-scwrl.pdb.gz costs 78.381 real_cost = 154.105 T0307.try10-opt2.repack-nonPC.pdb.gz costs 90.731 real_cost = 152.125 T0307.try10-opt2.pdb.gz costs 90.731 real_cost = 148.556 T0307.try10-opt2.gromacs0.repack-nonPC.pdb.gz costs 70.403 real_cost = 153.996 T0307.try10-opt2.gromacs0.pdb.gz costs 70.403 real_cost = 152.895 T0307.try10-opt1.pdb.gz costs 84.234 real_cost = 151.431 T0307.try10-opt1-scwrl.pdb.gz costs 84.234 real_cost = 151.768 T0307.try1-opt2.repack-nonPC.pdb.gz costs 67.221 real_cost = 127.067 T0307.try1-opt2.pdb.gz costs 67.221 real_cost = 128.810 T0307.try1-opt2.gromacs0.pdb.gz costs 50.538 real_cost = 128.264 T0307.try1-opt1.pdb.gz costs 60.245 real_cost = 134.959 T0307.try1-opt1-scwrl.pdb.gz costs 60.245 real_cost = 134.758 ../model5.ts-submitted costs 58.667 real_cost = 174.143 ../model4.ts-submitted costs 67.221 real_cost = 129.000 ../model3.ts-submitted costs 58.940 real_cost = 183.242 ../model2.ts-submitted costs 65.376 real_cost = 139.832 ../model1.ts-submitted costs 39.789 real_cost = 159.593 align5 costs 76.490 real_cost = 237.106 align4 costs 69.615 real_cost = 267.014 align3 costs 68.177 real_cost = 290.581 align2 costs 70.722 real_cost = 195.306 align1 costs 73.050 real_cost = 263.956 T0307.try1-opt2.pdb costs 67.221 real_cost = 128.816 model5-scwrl costs 58.667 real_cost = 170.003 model5.ts-submitted costs 58.667 real_cost = 174.143 model4-scwrl costs 67.221 real_cost = 128.568 model4.ts-submitted costs 67.221 real_cost = 129.000 model3-scwrl costs 58.940 real_cost = 183.901 model3.ts-submitted costs 58.940 real_cost = 183.242 model2-scwrl costs 65.376 real_cost = 137.547 model2.ts-submitted costs 65.376 real_cost = 139.832 model1-scwrl costs 39.109 real_cost = 156.048 model1.ts-submitted costs 39.789 real_cost = 159.597 2h5nA costs 34.027 real_cost = -891.246 # command:CPU_time= 457.581 sec, elapsed time= 645.040 sec. # command:rm -f sort.tmp /projects/compbio/bin/sorttbl real_cost < decoys/evaluate.anglevector.rdb > sort.tmp mv -f sort.tmp decoys/evaluate.anglevector.rdb mv -f decoys/evaluate.anglevector.pretty decoys/evaluate.anglevector.pretty.old /projects/compbio/experiments/protein-predict/casp7/scripts/prettyscore -terse -targpfx -decpoint < decoys/evaluate.anglevector.rdb > decoys/evaluate.anglevector.pretty make[1]: Leaving directory `/projects/compbio/experiments/protein-predict/casp7/T0307'