/projects/compbio/experiments/protein-predict/casp7/starter-directory/Make.main:725: SECONDARY_TARGET = T0327.t06.str2 mkdir -p decoys rm decoys/read-pdb+servers.under cd decoys; shopt -s nullglob ; for x in ../*.ts-submitted* ; do echo ReadConformPDB $x >> read-pdb+servers.under ; done cd decoys; shopt -s nullglob ; for x in *.pdb* ; do echo ReadConformPDB $x >> read-pdb+servers.under ; done cd decoys; shopt -s nullglob ; for x in ../*mer/decoys/*.pdb* ; \ do echo ReadConformPDB $x chain A >> read-pdb+servers.under ; \ y=${x#../} ;\ z=${y/decoys} ;\ a=${z/T0327.} ;\ b=${a%.gz} ;\ c=${b%.pdb} ;\ echo NameConform $c >> read-pdb+servers.under ; \ done cd decoys; shopt -s nullglob ; for x in servers/*.pdb.gz ; do \ echo ReadConformPDB $x >> read-pdb+servers.under ; \ y=${x%.pdb.gz} ; \ z=${y#servers/} ; \ echo NameConform $z >> read-pdb+servers.under ; \ echo SCWRLConform >> read-pdb+servers.under ; \ echo NameConform $z-scwrl >> read-pdb+servers.under ; \ done chgrp protein decoys/read-pdb+servers.under chmod g+w decoys/read-pdb+servers.under rm -f decoys/evaluate.rdb sed -e s/XXX0000/T0327/ -e s/START_COL/1/ \ -e s/REAL_PDB/2hgcA/ \ -e s/_domain// \ -e s/read-pdb/read-pdb+servers/ \ -e 's/include COSTFCN.costfcn//' \ -e s/.COSTFCN// \ < /projects/compbio/experiments/protein-predict/casp7/starter-directory/evaluate.under \ | nice -2 /projects/compbio/programs/undertaker/undertaker # command:# Seed set to 1174742335 # command:# Prefix for input files set to /projects/compbio/experiments/undertaker/atoms-inputs/ # command:# reading monomeric-50pc.atoms # trans (non-proline) backbone unit: # CA= -2.2088 1.0126 -0.0031 # O= -0.1499 2.2440 0.0017 # C= -0.6889 1.1368 0.0000 # N+1= 0.0000 0.0000 0.0000 # CA+1= 1.4581 0.0000 0.0000 # cis backbone unit: # CA= -0.1462 2.4515 0.0018 # O= -2.0272 0.9713 0.0022 # C= -0.8006 1.0755 0.0000 # N+1= 0.0000 0.0000 0.0000 # CA+1= 1.4659 0.0000 0.0000 # trans backbone unit before proline: # CA= -2.2099 1.0634 -0.0014 # O= -0.1233 2.2459 0.0075 # C= -0.6871 1.1518 0.0000 # N+1= 0.0000 0.0000 0.0000 # CA+1= 1.4660 0.0000 0.0000 # After reading monomeric-50pc.atoms have 448 chains in training database # Count of chains,residues,atoms: 448,112605,876684 # 109826 residues have no bad marker # 665 residues lack atoms needed to compute omega # 322 residues have cis peptide # number of each bad type: # NON_STANDARD_RESIDUE 6 # HAS_OXT 325 # TOO_MANY_ATOMS 1 # TOO_FEW_ATOMS 523 # HAS_UNKNOWN_ATOMS 2 # HAS_DUPLICATE_ATOMS 0 # CHAIN_BREAK_BEFORE 208 # NON_PLANAR_PEPTIDE 143 # BAD_PEPTIDE 1959 # Note: may sum to more than number of residues, # because one residue may have multiple problems # command:# Reading rotamer library from dunbrack-1332.rot # command:# Prefix for input files set to /projects/compbio/experiments/undertaker/spots/ # command:# ReadAtomType exp-pdb.types Read AtomType exp-pdb with 49 types. # command:# ReadClashTable exp-pdb-2191-2symm.clash # Read ClashTable exp-pdb-2191-2symm checking bonds symmetric at MaxSep 2 # command:# command:CPU_time= 6.13207 sec, elapsed time= 6.16444 sec) # command:# Reading spots from monomeric-50pc-dry-5.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-dry-5.hist # created burial cost function dry5 with radius 5 with spots at monomeric-50pc-dry-5.spot # command:# Reading spots from monomeric-50pc-wet-6.5.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-wet-6.5.hist # created burial cost function wet6.5 with radius 6.5 with spots at monomeric-50pc-wet-6.5.spot # command:# Reading spots from monomeric-50pc-dry-6.5.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-dry-6.5.hist # created burial cost function dry6.5 with radius 6.5 with spots at monomeric-50pc-dry-6.5.spot # command:# Reading spots from monomeric-50pc-generic-6.5.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-generic-6.5.hist # created burial cost function gen6.5 with radius 6.5 with spots at monomeric-50pc-generic-6.5.spot # command:# Reading spots from near-backbone-center.spot # reading histogram from smoothed-near-backbone-2spot.hist # Reading spots from near-backbone-count.spot # created burial cost function near_backbone with radius 9.65 with spots at near-backbone-center.spot counting only near-backbone-count.spot # command:# Reading spots from way-back-center.spot # reading histogram from smoothed-way-back-2spot.hist # Reading spots from way-back-count.spot # created burial cost function way_back with radius 8.9 with spots at way-back-center.spot counting only way-back-count.spot # command:# Reading spots from monomeric-50pc-dry-8.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-dry-8.hist # created burial cost function dry8 with radius 8 with spots at monomeric-50pc-dry-8.spot # command:# Reading spots from monomeric-50pc-dry-10.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-dry-10.hist # created burial cost function dry10 with radius 10 with spots at monomeric-50pc-dry-10.spot # command:# Reading spots from monomeric-50pc-dry-12.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-dry-12.hist # created burial cost function dry12 with radius 12 with spots at monomeric-50pc-dry-12.spot # command:# reading histogram from dunbrack-2191-alpha.hist # created alpha cost function alpha with offset 0 and 360 bins # command:# reading histogram from dunbrack-2191-alpha-1.hist # created alpha cost function alpha_prev with offset -1 and 360 bins # command:# Prefix for input files set to /projects/compbio/lib/alphabet/ # command:# Read 3 alphabets from alpha.alphabet # command:CPU_time= 6.21306 sec, elapsed time= 6.26135 sec) # command:# Prefix for input files set to # command:# Making conformation for sequence T0327 numbered 1 through 102 Created new target T0327 from T0327.a2m # command:# command:# No conformations to remove in PopConform # command:# cleared Id set # command:# command:2hgcA expands to /projects/compbio/data/pdb/2hgc.pdb.gz 2hgcA: Read 78 residues and 636 atoms. # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # command:# Saving current conformation as real # command:# Prefix for output files set to decoys/ # command:# SetRealCost created real_cost = # ( 50 * real_hbond + 50 * real_hbond_u + 50 * decoy_hbond + 50 * decoy_hbond_u + 10 * real_NO_hbond + 10 * real_NO_hbond_u + 10 * decoy_NO_hbond + 10 * decoy_NO_hbond_u + 10 * knot + 200 * clens + 0 * rmsd + 35 * log_rmsd + 0 * rmsd_ca + 30 * log_rmsd_ca + 1 * GDT + 1 * smooth_GDT + 0.2 * missing_atoms ) # command:# SetCost created cost = # ) # command:CPU_time= 8.64769 sec, elapsed time= 8.73951 sec) # command:# Prefix for input files set to # command:# ReadConformPDB reading from PDB file model1.ts-submitted looking for model 1 # choosing archetypes in rotamer library # Found a chain break before 56 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -55.4487 # GDT_score(maxd=8,maxw=2.9)= -54.7537 # GDT_score(maxd=8,maxw=3.2)= -52.0205 # GDT_score(maxd=8,maxw=3.5)= -49.4597 # GDT_score(maxd=10,maxw=3.8)= -53.2603 # GDT_score(maxd=10,maxw=4)= -51.6446 # GDT_score(maxd=10,maxw=4.2)= -50.0173 # GDT_score(maxd=12,maxw=4.3)= -54.1332 # GDT_score(maxd=12,maxw=4.5)= -52.476 # GDT_score(maxd=12,maxw=4.7)= -50.8563 # GDT_score(maxd=14,maxw=5.2)= -50.7962 # GDT_score(maxd=14,maxw=5.5)= -48.6549 # command:# Prefix for output files set to # command:superimposing iter= 0 total_weight= 9.4800000e+02 rmsd (weighted)= 6.4424782e+00 (unweighted)= 2.1008239e+01 superimposing iter= 1 total_weight= 2.4623192e+03 rmsd (weighted)= 2.8557686e+00 (unweighted)= 2.1353091e+01 superimposing iter= 2 total_weight= 1.4064487e+03 rmsd (weighted)= 1.8493410e+00 (unweighted)= 2.1376567e+01 superimposing iter= 3 total_weight= 9.3679190e+02 rmsd (weighted)= 1.4923636e+00 (unweighted)= 2.1359393e+01 superimposing iter= 4 total_weight= 7.9332951e+02 rmsd (weighted)= 1.3149905e+00 (unweighted)= 2.1352470e+01 superimposing iter= 5 total_weight= 7.2789557e+02 rmsd (weighted)= 1.2128127e+00 (unweighted)= 2.1348734e+01 # command:# Prefix for output files set to decoys/ # command:# request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1249929061.pdb -s /var/tmp/to_scwrl_1249929061.seq -o /var/tmp/from_scwrl_1249929061.pdb > /var/tmp/scwrl_1249929061.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1249929061.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 56 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -56.7308 # GDT_score(maxd=8,maxw=2.9)= -55.9161 # GDT_score(maxd=8,maxw=3.2)= -53.1135 # GDT_score(maxd=8,maxw=3.5)= -50.4794 # GDT_score(maxd=10,maxw=3.8)= -54.1885 # GDT_score(maxd=10,maxw=4)= -52.4707 # GDT_score(maxd=10,maxw=4.2)= -50.8116 # GDT_score(maxd=12,maxw=4.3)= -54.9129 # GDT_score(maxd=12,maxw=4.5)= -53.2243 # GDT_score(maxd=12,maxw=4.7)= -51.5323 # GDT_score(maxd=14,maxw=5.2)= -51.4104 # GDT_score(maxd=14,maxw=5.5)= -49.2356 # command:# request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_226667771.pdb -s /var/tmp/to_scwrl_226667771.seq -o /var/tmp/from_scwrl_226667771.pdb > /var/tmp/scwrl_226667771.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_226667771.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 78 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -52.8846 # GDT_score(maxd=8,maxw=2.9)= -51.1101 # GDT_score(maxd=8,maxw=3.2)= -48.5276 # GDT_score(maxd=8,maxw=3.5)= -46.0857 # GDT_score(maxd=10,maxw=3.8)= -50.5693 # GDT_score(maxd=10,maxw=4)= -48.9043 # GDT_score(maxd=10,maxw=4.2)= -47.3078 # GDT_score(maxd=12,maxw=4.3)= -51.7527 # GDT_score(maxd=12,maxw=4.5)= -50.115 # GDT_score(maxd=12,maxw=4.7)= -48.546 # GDT_score(maxd=14,maxw=5.2)= -48.7709 # GDT_score(maxd=14,maxw=5.5)= -46.74 # command:# request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_916954303.pdb -s /var/tmp/to_scwrl_916954303.seq -o /var/tmp/from_scwrl_916954303.pdb > /var/tmp/scwrl_916954303.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_916954303.pdb # conformation set from SCWRL output # command:# naming current conformation model3-scwrl # command:# ReadConformPDB reading from PDB file model4.ts-submitted looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # command:# fraction of real conformation used = 0.807692 # GDT_score = -58.9744 # GDT_score(maxd=8,maxw=2.9)= -59.227 # GDT_score(maxd=8,maxw=3.2)= -57.1738 # GDT_score(maxd=8,maxw=3.5)= -55.1172 # GDT_score(maxd=10,maxw=3.8)= -57.3902 # GDT_score(maxd=10,maxw=4)= -56.0663 # GDT_score(maxd=10,maxw=4.2)= -54.621 # GDT_score(maxd=12,maxw=4.3)= -57.3295 # GDT_score(maxd=12,maxw=4.5)= -55.892 # GDT_score(maxd=12,maxw=4.7)= -54.4523 # GDT_score(maxd=14,maxw=5.2)= -53.7439 # GDT_score(maxd=14,maxw=5.5)= -51.6888 # command:# request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_13836132.pdb -s /var/tmp/to_scwrl_13836132.seq -o /var/tmp/from_scwrl_13836132.pdb > /var/tmp/scwrl_13836132.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_13836132.pdb # conformation set from SCWRL output # command:# naming current conformation model4-scwrl # command:# ReadConformPDB reading from PDB file model5.ts-submitted looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # command:# fraction of real conformation used = 0.846154 # GDT_score = -57.0513 # GDT_score(maxd=8,maxw=2.9)= -59.5084 # GDT_score(maxd=8,maxw=3.2)= -56.5319 # GDT_score(maxd=8,maxw=3.5)= -53.6098 # GDT_score(maxd=10,maxw=3.8)= -56.1123 # GDT_score(maxd=10,maxw=4)= -54.2544 # GDT_score(maxd=10,maxw=4.2)= -52.5256 # GDT_score(maxd=12,maxw=4.3)= -55.7715 # GDT_score(maxd=12,maxw=4.5)= -54.086 # GDT_score(maxd=12,maxw=4.7)= -52.4135 # GDT_score(maxd=14,maxw=5.2)= -51.684 # GDT_score(maxd=14,maxw=5.5)= -49.468 # command:# request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_641101725.pdb -s /var/tmp/to_scwrl_641101725.seq -o /var/tmp/from_scwrl_641101725.pdb > /var/tmp/scwrl_641101725.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_641101725.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 T0327.try1-opt2.pdb looking for model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -58.0128 # GDT_score(maxd=8,maxw=2.9)= -58.4851 # GDT_score(maxd=8,maxw=3.2)= -55.3115 # GDT_score(maxd=8,maxw=3.5)= -52.397 # GDT_score(maxd=10,maxw=3.8)= -56.3643 # GDT_score(maxd=10,maxw=4)= -54.5112 # GDT_score(maxd=10,maxw=4.2)= -52.7057 # GDT_score(maxd=12,maxw=4.3)= -56.9673 # GDT_score(maxd=12,maxw=4.5)= -55.1414 # GDT_score(maxd=12,maxw=4.7)= -53.3559 # GDT_score(maxd=14,maxw=5.2)= -53.1351 # GDT_score(maxd=14,maxw=5.5)= -50.8662 # command:# Prefix for output files set to # command:superimposing iter= 0 total_weight= 9.4800000e+02 rmsd (weighted)= 5.2409560e+00 (unweighted)= 1.6301571e+01 superimposing iter= 1 total_weight= 2.1710197e+03 rmsd (weighted)= 2.5857587e+00 (unweighted)= 1.6848750e+01 superimposing iter= 2 total_weight= 1.1552385e+03 rmsd (weighted)= 1.8652925e+00 (unweighted)= 1.7041748e+01 superimposing iter= 3 total_weight= 8.3779601e+02 rmsd (weighted)= 1.6010521e+00 (unweighted)= 1.7165489e+01 superimposing iter= 4 total_weight= 7.7843313e+02 rmsd (weighted)= 1.4289997e+00 (unweighted)= 1.7260524e+01 superimposing iter= 5 total_weight= 7.4513392e+02 rmsd (weighted)= 1.3047893e+00 (unweighted)= 1.7321343e+01 # command:# Prefix for output files set to decoys/ # command:# Prefix for input files set to # command:# ReadConformPDB reading from PDB file T0327.undertaker-align.pdb looking for model 1 WARNING: atoms too close: (T0327)G48.C and (T0327)V49.C only 0.0000000e+00 apart, marking (T0327)V49.C as missing WARNING: atoms too close: (T0327)V49.N and (T0327)H50.N only 0.0000000e+00 apart, marking (T0327)V49.N as missing WARNING: atoms too close: (T0327)V49.CA and (T0327)H50.CA only 0.0000000e+00 apart, marking (T0327)V49.CA as missing WARNING: atoms too close: (T0327)Y59.C and (T0327)E64.C only 0.0000000e+00 apart, marking (T0327)E64.C as missing WARNING: atoms too close: (T0327)K60.N and (T0327)L65.N only 0.0000000e+00 apart, marking (T0327)K60.N as missing WARNING: atoms too close: (T0327)K60.CA and (T0327)L65.CA only 0.0000000e+00 apart, marking (T0327)K60.CA as missing # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # command:# naming current conformation align1 # command:# fraction of real conformation used = 0.833333 # GDT_score = -60.2564 # GDT_score(maxd=8,maxw=2.9)= -59.9902 # GDT_score(maxd=8,maxw=3.2)= -57.8723 # GDT_score(maxd=8,maxw=3.5)= -55.7518 # GDT_score(maxd=10,maxw=3.8)= -58.167 # GDT_score(maxd=10,maxw=4)= -56.795 # GDT_score(maxd=10,maxw=4.2)= -55.3155 # GDT_score(maxd=12,maxw=4.3)= -58.1631 # GDT_score(maxd=12,maxw=4.5)= -56.6948 # GDT_score(maxd=12,maxw=4.7)= -55.223 # GDT_score(maxd=14,maxw=5.2)= -54.5498 # GDT_score(maxd=14,maxw=5.5)= -52.4509 # command:# ReadConformPDB reading from PDB file T0327.undertaker-align.pdb looking for model 2 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # command:# naming current conformation align2 # command:# fraction of real conformation used = 0.884615 # GDT_score = -57.6923 # GDT_score(maxd=8,maxw=2.9)= -60.0855 # GDT_score(maxd=8,maxw=3.2)= -56.9621 # GDT_score(maxd=8,maxw=3.5)= -54.0206 # GDT_score(maxd=10,maxw=3.8)= -56.6259 # GDT_score(maxd=10,maxw=4)= -54.7524 # GDT_score(maxd=10,maxw=4.2)= -52.9561 # GDT_score(maxd=12,maxw=4.3)= -56.4204 # GDT_score(maxd=12,maxw=4.5)= -54.6467 # GDT_score(maxd=12,maxw=4.7)= -52.9069 # GDT_score(maxd=14,maxw=5.2)= -52.2875 # GDT_score(maxd=14,maxw=5.5)= -50.0389 # command:# ReadConformPDB reading from PDB file T0327.undertaker-align.pdb looking for model 3 WARNING: atoms too close: (T0327)Y83.C and (T0327)T85.C only 0.0000000e+00 apart, marking (T0327)T85.C as missing WARNING: atoms too close: (T0327)K84.N and (T0327)I86.N only 0.0000000e+00 apart, marking (T0327)K84.N as missing WARNING: atoms too close: (T0327)K84.CA and (T0327)I86.CA only 0.0000000e+00 apart, marking (T0327)K84.CA as missing # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # command:# naming current conformation align3 # command:# ReadConformPDB reading from PDB file T0327.undertaker-align.pdb looking for model 4 WARNING: atoms too close: (T0327)K60.C and (T0327)E64.C only 0.0000000e+00 apart, marking (T0327)E64.C as missing WARNING: atoms too close: (T0327)L61.N and (T0327)L65.N only 0.0000000e+00 apart, marking (T0327)L61.N as missing WARNING: atoms too close: (T0327)L61.CA and (T0327)L65.CA only 0.0000000e+00 apart, marking (T0327)L61.CA as missing # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # command:# naming current conformation align4 # command:# ReadConformPDB reading from PDB file T0327.undertaker-align.pdb looking for model 5 WARNING: atoms too close: (T0327)L61.C and (T0327)L65.C only 0.0000000e+00 apart, marking (T0327)L65.C as missing WARNING: atoms too close: (T0327)G62.N and (T0327)T66.N only 0.0000000e+00 apart, marking (T0327)G62.N as missing WARNING: atoms too close: (T0327)G62.CA and (T0327)T66.CA only 0.0000000e+00 apart, marking (T0327)G62.CA as missing WARNING: atoms too close: (T0327)G69.C and (T0327)L73.C only 0.0000000e+00 apart, marking (T0327)L73.C as missing WARNING: atoms too close: (T0327)E70.N and (T0327)K74.N only 0.0000000e+00 apart, marking (T0327)E70.N as missing WARNING: atoms too close: (T0327)E70.CA and (T0327)K74.CA only 0.0000000e+00 apart, marking (T0327)E70.CA as missing # WARNING: incomplete conformation T0327 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 56 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model2.ts-submitted looking for model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model3.ts-submitted looking for model 1 # Found a chain break before 78 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model4.ts-submitted looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # ReadConformPDB reading from PDB file ../model5.ts-submitted looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # ReadConformPDB reading from PDB file T0327.try1-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0327.try1-opt1.pdb.gz looking for model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0327.try1-opt2-proteinshop-2.pdb.gz looking for model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0327.try1-opt2-proteinshop.pdb.gz looking for model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0327.try1-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0327.try1-opt2.pdb.gz looking for model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0327.try1-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 T0327.try2-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 78 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0327.try2-opt1.pdb.gz looking for model 1 # Found a chain break before 78 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0327.try2-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0327.try2-opt2.pdb.gz looking for model 1 # Found a chain break before 78 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0327.try2-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 78 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0327.try3-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 95 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0327.try3-opt1.pdb.gz looking for model 1 # Found a chain break before 95 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0327.try3-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 93 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0327.try3-opt2.pdb.gz looking for model 1 # Found a chain break before 95 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0327.try3-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 95 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0327.try4-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 76 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0327.try4-opt1.pdb.gz looking for model 1 # Found a chain break before 76 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0327.try4-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 54 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0327.try4-opt2.pdb.gz looking for model 1 # Found a chain break before 78 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0327.try4-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 78 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try1-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 51 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try1-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 51 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try1-opt2.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 26 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt2.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try1-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 75 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try1-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 75 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try1-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 26 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try1-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 26 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try1-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 75 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try10-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 59 # copying to AlignedFragments data structure # naming current conformation dimer//try10-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try10-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 59 # copying to AlignedFragments data structure # naming current conformation dimer//try10-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try10-opt2.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # naming current conformation dimer//try10-opt2.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try10-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 59 # copying to AlignedFragments data structure # naming current conformation dimer//try10-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try10-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 59 # copying to AlignedFragments data structure # naming current conformation dimer//try10-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try10-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try10-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try10-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try10-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try10-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 59 # copying to AlignedFragments data structure # naming current conformation dimer//try10-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try11-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try11-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try11-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try11-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try11-opt2.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # naming current conformation dimer//try11-opt2.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try11-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try11-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try11-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try11-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try11-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try11-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try11-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try11-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try11-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try11-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try12-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try12-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try12-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try12-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try12-opt2.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # naming current conformation dimer//try12-opt2.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try12-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try12-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try12-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try12-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try12-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try12-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try12-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try12-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try12-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try12-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try13-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try13-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try13-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try13-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try13-opt2.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # naming current conformation dimer//try13-opt2.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try13-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try13-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try13-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try13-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try13-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try13-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try13-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try13-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try13-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try13-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try14-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try14-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try14-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try14-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try14-opt2.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # naming current conformation dimer//try14-opt2.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try14-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try14-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try14-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try14-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try14-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try14-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try14-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try14-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try14-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try14-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try15-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try15-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try15-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try15-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try15-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try15-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try15-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try15-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try15-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 59 # copying to AlignedFragments data structure # naming current conformation dimer//try15-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try15-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 59 # copying to AlignedFragments data structure # naming current conformation dimer//try15-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try15-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try15-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try2-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # naming current conformation dimer//try2-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try2-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # naming current conformation dimer//try2-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try2-opt2.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # naming current conformation dimer//try2-opt2.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try2-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # naming current conformation dimer//try2-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try2-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # naming current conformation dimer//try2-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try2-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try2-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try2-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try2-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try2-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # naming current conformation dimer//try2-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try3-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 70 # copying to AlignedFragments data structure # naming current conformation dimer//try3-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try3-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 70 # copying to AlignedFragments data structure # naming current conformation dimer//try3-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try3-opt2.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # naming current conformation dimer//try3-opt2.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try3-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 70 # copying to AlignedFragments data structure # naming current conformation dimer//try3-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try3-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 70 # copying to AlignedFragments data structure # naming current conformation dimer//try3-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try3-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try3-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try3-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try3-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try3-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 70 # copying to AlignedFragments data structure # naming current conformation dimer//try3-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try4-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 78 # copying to AlignedFragments data structure # naming current conformation dimer//try4-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try4-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 78 # copying to AlignedFragments data structure # naming current conformation dimer//try4-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try4-opt2.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # naming current conformation dimer//try4-opt2.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try4-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 78 # copying to AlignedFragments data structure # naming current conformation dimer//try4-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try4-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 78 # copying to AlignedFragments data structure # naming current conformation dimer//try4-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try4-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try4-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try4-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try4-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try4-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 78 # copying to AlignedFragments data structure # naming current conformation dimer//try4-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try5-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 75 # copying to AlignedFragments data structure # naming current conformation dimer//try5-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try5-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 75 # copying to AlignedFragments data structure # naming current conformation dimer//try5-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try5-opt2.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # naming current conformation dimer//try5-opt2.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try5-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 75 # copying to AlignedFragments data structure # naming current conformation dimer//try5-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try5-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 75 # copying to AlignedFragments data structure # naming current conformation dimer//try5-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try5-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try5-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try5-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try5-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try5-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 75 # copying to AlignedFragments data structure # naming current conformation dimer//try5-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try6-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 83 # copying to AlignedFragments data structure # naming current conformation dimer//try6-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try6-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 83 # copying to AlignedFragments data structure # naming current conformation dimer//try6-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try6-opt2.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # naming current conformation dimer//try6-opt2.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try6-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 79 # copying to AlignedFragments data structure # naming current conformation dimer//try6-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try6-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 79 # copying to AlignedFragments data structure # naming current conformation dimer//try6-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try6-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try6-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try6-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try6-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try6-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 79 # copying to AlignedFragments data structure # naming current conformation dimer//try6-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try7-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 78 # copying to AlignedFragments data structure # naming current conformation dimer//try7-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try7-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 78 # copying to AlignedFragments data structure # naming current conformation dimer//try7-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try7-opt2.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 59 # copying to AlignedFragments data structure # naming current conformation dimer//try7-opt2.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try7-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 59 # copying to AlignedFragments data structure # naming current conformation dimer//try7-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try7-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 59 # copying to AlignedFragments data structure # naming current conformation dimer//try7-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try7-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 74 # copying to AlignedFragments data structure # naming current conformation dimer//try7-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try7-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 74 # copying to AlignedFragments data structure # naming current conformation dimer//try7-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try7-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 59 # copying to AlignedFragments data structure # naming current conformation dimer//try7-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try8-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 76 # copying to AlignedFragments data structure # naming current conformation dimer//try8-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try8-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 76 # copying to AlignedFragments data structure # naming current conformation dimer//try8-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try8-opt2.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # naming current conformation dimer//try8-opt2.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try8-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 76 # copying to AlignedFragments data structure # naming current conformation dimer//try8-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try8-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 76 # copying to AlignedFragments data structure # naming current conformation dimer//try8-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try8-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try8-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try8-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try8-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try8-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 76 # copying to AlignedFragments data structure # naming current conformation dimer//try8-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try9-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 59 # copying to AlignedFragments data structure # naming current conformation dimer//try9-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try9-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 59 # copying to AlignedFragments data structure # naming current conformation dimer//try9-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try9-opt2.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # naming current conformation dimer//try9-opt2.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try9-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 59 # copying to AlignedFragments data structure # naming current conformation dimer//try9-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try9-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 59 # copying to AlignedFragments data structure # naming current conformation dimer//try9-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try9-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try9-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try9-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try9-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try9-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 59 # copying to AlignedFragments data structure # naming current conformation dimer//try9-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/dimer-1tbxA-try1-opt2-proteinshop.pdb.gz looking for chain 'A' model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-1tbxA-try1-opt2-proteinshop # ReadConformPDB reading from PDB file ../dimer/decoys/dimer-1tbxA-try1-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-1tbxA-try1-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/dimer-1ub9A-dimer11.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-1ub9A-dimer11 # ReadConformPDB reading from PDB file ../dimer/decoys/dimer1-1tbxA-dimer6.pdb.gz looking for chain 'A' model 1 # Found a chain break before 79 # copying to AlignedFragments data structure # naming current conformation dimer//dimer1-1tbxA-dimer6 # ReadConformPDB reading from PDB file ../dimer/decoys/dimer2-1tbxA-dimer6.pdb.gz looking for chain 'A' model 1 # Found a chain break before 79 # copying to AlignedFragments data structure # naming current conformation dimer//dimer2-1tbxA-dimer6 # ReadConformPDB reading from PDB file ../dimer/decoys/dimer3-1tbxA-dimer6.pdb.gz looking for chain 'A' model 1 # Found a chain break before 79 # copying to AlignedFragments data structure # naming current conformation dimer//dimer3-1tbxA-dimer6 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1403662006.pdb -s /var/tmp/to_scwrl_1403662006.seq -o /var/tmp/from_scwrl_1403662006.pdb > /var/tmp/scwrl_1403662006.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1403662006.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 T0327 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1210090542.pdb -s /var/tmp/to_scwrl_1210090542.seq -o /var/tmp/from_scwrl_1210090542.pdb > /var/tmp/scwrl_1210090542.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1210090542.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 T0327 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1908559345.pdb -s /var/tmp/to_scwrl_1908559345.seq -o /var/tmp/from_scwrl_1908559345.pdb > /var/tmp/scwrl_1908559345.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1908559345.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 T0327 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1053148745.pdb -s /var/tmp/to_scwrl_1053148745.seq -o /var/tmp/from_scwrl_1053148745.pdb > /var/tmp/scwrl_1053148745.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1053148745.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 T0327 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_868827109.pdb -s /var/tmp/to_scwrl_868827109.seq -o /var/tmp/from_scwrl_868827109.pdb > /var/tmp/scwrl_868827109.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_868827109.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 T0327 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1054728845.pdb -s /var/tmp/to_scwrl_1054728845.seq -o /var/tmp/from_scwrl_1054728845.pdb > /var/tmp/scwrl_1054728845.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1054728845.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_RECOM_TS1-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_869974829.pdb -s /var/tmp/to_scwrl_869974829.seq -o /var/tmp/from_scwrl_869974829.pdb > /var/tmp/scwrl_869974829.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_869974829.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_RECOM_TS2-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_742273320.pdb -s /var/tmp/to_scwrl_742273320.seq -o /var/tmp/from_scwrl_742273320.pdb > /var/tmp/scwrl_742273320.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_742273320.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_RECOM_TS3-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1645662136.pdb -s /var/tmp/to_scwrl_1645662136.seq -o /var/tmp/from_scwrl_1645662136.pdb > /var/tmp/scwrl_1645662136.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1645662136.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_RECOM_TS4-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_684063752.pdb -s /var/tmp/to_scwrl_684063752.seq -o /var/tmp/from_scwrl_684063752.pdb > /var/tmp/scwrl_684063752.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_684063752.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_RECOM_TS5-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_334431966.pdb -s /var/tmp/to_scwrl_334431966.seq -o /var/tmp/from_scwrl_334431966.pdb > /var/tmp/scwrl_334431966.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_334431966.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_TS1-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1591230378.pdb -s /var/tmp/to_scwrl_1591230378.seq -o /var/tmp/from_scwrl_1591230378.pdb > /var/tmp/scwrl_1591230378.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1591230378.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_TS2-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS3.pdb.gz looking for model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1241124022.pdb -s /var/tmp/to_scwrl_1241124022.seq -o /var/tmp/from_scwrl_1241124022.pdb > /var/tmp/scwrl_1241124022.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1241124022.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_TS3-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1381723674.pdb -s /var/tmp/to_scwrl_1381723674.seq -o /var/tmp/from_scwrl_1381723674.pdb > /var/tmp/scwrl_1381723674.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1381723674.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_TS4-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1387404018.pdb -s /var/tmp/to_scwrl_1387404018.seq -o /var/tmp/from_scwrl_1387404018.pdb > /var/tmp/scwrl_1387404018.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1387404018.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_TS5-scwrl # ReadConformPDB reading from PDB file servers/3Dpro_TS1.pdb.gz looking for model 1 # Found a chain break before 59 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1339989246.pdb -s /var/tmp/to_scwrl_1339989246.seq -o /var/tmp/from_scwrl_1339989246.pdb > /var/tmp/scwrl_1339989246.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1339989246.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 34 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1676334020.pdb -s /var/tmp/to_scwrl_1676334020.seq -o /var/tmp/from_scwrl_1676334020.pdb > /var/tmp/scwrl_1676334020.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1676334020.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 97 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_902955398.pdb -s /var/tmp/to_scwrl_902955398.seq -o /var/tmp/from_scwrl_902955398.pdb > /var/tmp/scwrl_902955398.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_902955398.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 97 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1025069216.pdb -s /var/tmp/to_scwrl_1025069216.seq -o /var/tmp/from_scwrl_1025069216.pdb > /var/tmp/scwrl_1025069216.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1025069216.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 97 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_171309320.pdb -s /var/tmp/to_scwrl_171309320.seq -o /var/tmp/from_scwrl_171309320.pdb > /var/tmp/scwrl_171309320.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_171309320.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 97 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1330630756.pdb -s /var/tmp/to_scwrl_1330630756.seq -o /var/tmp/from_scwrl_1330630756.pdb > /var/tmp/scwrl_1330630756.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1330630756.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 78 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_2076700264.pdb -s /var/tmp/to_scwrl_2076700264.seq -o /var/tmp/from_scwrl_2076700264.pdb > /var/tmp/scwrl_2076700264.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2076700264.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 52 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1052843950.pdb -s /var/tmp/to_scwrl_1052843950.seq -o /var/tmp/from_scwrl_1052843950.pdb > /var/tmp/scwrl_1052843950.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1052843950.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 99 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1239177807.pdb -s /var/tmp/to_scwrl_1239177807.seq -o /var/tmp/from_scwrl_1239177807.pdb > /var/tmp/scwrl_1239177807.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1239177807.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 89 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1687334412.pdb -s /var/tmp/to_scwrl_1687334412.seq -o /var/tmp/from_scwrl_1687334412.pdb > /var/tmp/scwrl_1687334412.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1687334412.pdb # conformation set from SCWRL output # naming current conformation ABIpro_TS5-scwrl # ReadConformPDB reading from PDB file servers/BayesHH_TS1.pdb.gz looking for model 1 # Found a chain break before 55 # copying to AlignedFragments data structure # naming current conformation BayesHH_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1826991126.pdb -s /var/tmp/to_scwrl_1826991126.seq -o /var/tmp/from_scwrl_1826991126.pdb > /var/tmp/scwrl_1826991126.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1826991126.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 69 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_341623222.pdb -s /var/tmp/to_scwrl_341623222.seq -o /var/tmp/from_scwrl_341623222.pdb > /var/tmp/scwrl_341623222.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_341623222.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS1-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS2.pdb.gz looking for model 1 # Found a chain break before 64 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1914002183.pdb -s /var/tmp/to_scwrl_1914002183.seq -o /var/tmp/from_scwrl_1914002183.pdb > /var/tmp/scwrl_1914002183.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1914002183.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 101 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_596461782.pdb -s /var/tmp/to_scwrl_596461782.seq -o /var/tmp/from_scwrl_596461782.pdb > /var/tmp/scwrl_596461782.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_596461782.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS3-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS4.pdb.gz looking for model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_355459355.pdb -s /var/tmp/to_scwrl_355459355.seq -o /var/tmp/from_scwrl_355459355.pdb > /var/tmp/scwrl_355459355.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_355459355.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 101 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_407620262.pdb -s /var/tmp/to_scwrl_407620262.seq -o /var/tmp/from_scwrl_407620262.pdb > /var/tmp/scwrl_407620262.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_407620262.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 89 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_2000123788.pdb -s /var/tmp/to_scwrl_2000123788.seq -o /var/tmp/from_scwrl_2000123788.pdb > /var/tmp/scwrl_2000123788.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2000123788.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 90 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1565549897.pdb -s /var/tmp/to_scwrl_1565549897.seq -o /var/tmp/from_scwrl_1565549897.pdb > /var/tmp/scwrl_1565549897.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1565549897.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS2-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_168695960.pdb -s /var/tmp/to_scwrl_168695960.seq -o /var/tmp/from_scwrl_168695960.pdb > /var/tmp/scwrl_168695960.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_168695960.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS3-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_905788886.pdb -s /var/tmp/to_scwrl_905788886.seq -o /var/tmp/from_scwrl_905788886.pdb > /var/tmp/scwrl_905788886.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_905788886.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS4-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_286893359.pdb -s /var/tmp/to_scwrl_286893359.seq -o /var/tmp/from_scwrl_286893359.pdb > /var/tmp/scwrl_286893359.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_286893359.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS5-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1223424804.pdb -s /var/tmp/to_scwrl_1223424804.seq -o /var/tmp/from_scwrl_1223424804.pdb > /var/tmp/scwrl_1223424804.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1223424804.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 T0327 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1775763714.pdb -s /var/tmp/to_scwrl_1775763714.seq -o /var/tmp/from_scwrl_1775763714.pdb > /var/tmp/scwrl_1775763714.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1775763714.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 T0327 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1029166679.pdb -s /var/tmp/to_scwrl_1029166679.seq -o /var/tmp/from_scwrl_1029166679.pdb > /var/tmp/scwrl_1029166679.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1029166679.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 T0327 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_721603294.pdb -s /var/tmp/to_scwrl_721603294.seq -o /var/tmp/from_scwrl_721603294.pdb > /var/tmp/scwrl_721603294.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_721603294.pdb # conformation set from SCWRL output # naming current conformation CaspIta-FOX_TS4-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation CaspIta-FOX_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_312343820.pdb -s /var/tmp/to_scwrl_312343820.seq -o /var/tmp/from_scwrl_312343820.pdb > /var/tmp/scwrl_312343820.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_312343820.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 T0327 can't currently be optimized by undertaker # naming current conformation Distill_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1363598645.pdb -s /var/tmp/to_scwrl_1363598645.seq -o /var/tmp/from_scwrl_1363598645.pdb > /var/tmp/scwrl_1363598645.log Error: Couldn't open file /var/tmp/from_scwrl_1363598645.pdb or /var/tmp/from_scwrl_1363598645.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1363598645_b.pdb or decoys//var/tmp/from_scwrl_1363598645_b.pdb.gz for input Trying /var/tmp/from_scwrl_1363598645_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1363598645_b.pdb or /var/tmp/from_scwrl_1363598645_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1363598645_a.pdb or decoys//var/tmp/from_scwrl_1363598645_a.pdb.gz for input Trying /var/tmp/from_scwrl_1363598645_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1363598645_a.pdb or /var/tmp/from_scwrl_1363598645_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1363598645.pdb or /var/tmp/from_scwrl_1363598645_b.pdb or /var/tmp/from_scwrl_1363598645_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 T0327 can't currently be optimized by undertaker # naming current conformation Distill_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_165350025.pdb -s /var/tmp/to_scwrl_165350025.seq -o /var/tmp/from_scwrl_165350025.pdb > /var/tmp/scwrl_165350025.log Error: Couldn't open file /var/tmp/from_scwrl_165350025.pdb or /var/tmp/from_scwrl_165350025.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_165350025_b.pdb or decoys//var/tmp/from_scwrl_165350025_b.pdb.gz for input Trying /var/tmp/from_scwrl_165350025_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_165350025_b.pdb or /var/tmp/from_scwrl_165350025_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_165350025_a.pdb or decoys//var/tmp/from_scwrl_165350025_a.pdb.gz for input Trying /var/tmp/from_scwrl_165350025_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_165350025_a.pdb or /var/tmp/from_scwrl_165350025_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_165350025.pdb or /var/tmp/from_scwrl_165350025_b.pdb or /var/tmp/from_scwrl_165350025_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 T0327 can't currently be optimized by undertaker # naming current conformation Distill_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1553467842.pdb -s /var/tmp/to_scwrl_1553467842.seq -o /var/tmp/from_scwrl_1553467842.pdb > /var/tmp/scwrl_1553467842.log Error: Couldn't open file /var/tmp/from_scwrl_1553467842.pdb or /var/tmp/from_scwrl_1553467842.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1553467842_b.pdb or decoys//var/tmp/from_scwrl_1553467842_b.pdb.gz for input Trying /var/tmp/from_scwrl_1553467842_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1553467842_b.pdb or /var/tmp/from_scwrl_1553467842_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1553467842_a.pdb or decoys//var/tmp/from_scwrl_1553467842_a.pdb.gz for input Trying /var/tmp/from_scwrl_1553467842_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1553467842_a.pdb or /var/tmp/from_scwrl_1553467842_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1553467842.pdb or /var/tmp/from_scwrl_1553467842_b.pdb or /var/tmp/from_scwrl_1553467842_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 T0327 can't currently be optimized by undertaker # naming current conformation Distill_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_597838673.pdb -s /var/tmp/to_scwrl_597838673.seq -o /var/tmp/from_scwrl_597838673.pdb > /var/tmp/scwrl_597838673.log Error: Couldn't open file /var/tmp/from_scwrl_597838673.pdb or /var/tmp/from_scwrl_597838673.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_597838673_b.pdb or decoys//var/tmp/from_scwrl_597838673_b.pdb.gz for input Trying /var/tmp/from_scwrl_597838673_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_597838673_b.pdb or /var/tmp/from_scwrl_597838673_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_597838673_a.pdb or decoys//var/tmp/from_scwrl_597838673_a.pdb.gz for input Trying /var/tmp/from_scwrl_597838673_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_597838673_a.pdb or /var/tmp/from_scwrl_597838673_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_597838673.pdb or /var/tmp/from_scwrl_597838673_b.pdb or /var/tmp/from_scwrl_597838673_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 T0327 can't currently be optimized by undertaker # naming current conformation Distill_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1552754043.pdb -s /var/tmp/to_scwrl_1552754043.seq -o /var/tmp/from_scwrl_1552754043.pdb > /var/tmp/scwrl_1552754043.log Error: Couldn't open file /var/tmp/from_scwrl_1552754043.pdb or /var/tmp/from_scwrl_1552754043.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1552754043_b.pdb or decoys//var/tmp/from_scwrl_1552754043_b.pdb.gz for input Trying /var/tmp/from_scwrl_1552754043_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1552754043_b.pdb or /var/tmp/from_scwrl_1552754043_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1552754043_a.pdb or decoys//var/tmp/from_scwrl_1552754043_a.pdb.gz for input Trying /var/tmp/from_scwrl_1552754043_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1552754043_a.pdb or /var/tmp/from_scwrl_1552754043_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1552754043.pdb or /var/tmp/from_scwrl_1552754043_b.pdb or /var/tmp/from_scwrl_1552754043_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 100 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_745973443.pdb -s /var/tmp/to_scwrl_745973443.seq -o /var/tmp/from_scwrl_745973443.pdb > /var/tmp/scwrl_745973443.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_745973443.pdb # conformation set from SCWRL output # naming current conformation FAMSD_TS1-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation FAMSD_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_126689047.pdb -s /var/tmp/to_scwrl_126689047.seq -o /var/tmp/from_scwrl_126689047.pdb > /var/tmp/scwrl_126689047.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_126689047.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 T0327 can't currently be optimized by undertaker # naming current conformation FAMSD_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_308225794.pdb -s /var/tmp/to_scwrl_308225794.seq -o /var/tmp/from_scwrl_308225794.pdb > /var/tmp/scwrl_308225794.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_308225794.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 T0327 can't currently be optimized by undertaker # naming current conformation FAMSD_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1771042658.pdb -s /var/tmp/to_scwrl_1771042658.seq -o /var/tmp/from_scwrl_1771042658.pdb > /var/tmp/scwrl_1771042658.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1771042658.pdb # conformation set from SCWRL output # naming current conformation FAMSD_TS4-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation FAMSD_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_297998367.pdb -s /var/tmp/to_scwrl_297998367.seq -o /var/tmp/from_scwrl_297998367.pdb > /var/tmp/scwrl_297998367.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_297998367.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 98 # copying to AlignedFragments data structure # naming current conformation FAMS_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1638856550.pdb -s /var/tmp/to_scwrl_1638856550.seq -o /var/tmp/from_scwrl_1638856550.pdb > /var/tmp/scwrl_1638856550.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1638856550.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 89 # copying to AlignedFragments data structure # naming current conformation FAMS_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1700259275.pdb -s /var/tmp/to_scwrl_1700259275.seq -o /var/tmp/from_scwrl_1700259275.pdb > /var/tmp/scwrl_1700259275.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1700259275.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 90 # copying to AlignedFragments data structure # naming current conformation FAMS_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1350842317.pdb -s /var/tmp/to_scwrl_1350842317.seq -o /var/tmp/from_scwrl_1350842317.pdb > /var/tmp/scwrl_1350842317.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1350842317.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS3-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation FAMS_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_730550711.pdb -s /var/tmp/to_scwrl_730550711.seq -o /var/tmp/from_scwrl_730550711.pdb > /var/tmp/scwrl_730550711.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_730550711.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS4-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation FAMS_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1240110040.pdb -s /var/tmp/to_scwrl_1240110040.seq -o /var/tmp/from_scwrl_1240110040.pdb > /var/tmp/scwrl_1240110040.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1240110040.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 58 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1030349797.pdb -s /var/tmp/to_scwrl_1030349797.seq -o /var/tmp/from_scwrl_1030349797.pdb > /var/tmp/scwrl_1030349797.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1030349797.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 63 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1072173933.pdb -s /var/tmp/to_scwrl_1072173933.seq -o /var/tmp/from_scwrl_1072173933.pdb > /var/tmp/scwrl_1072173933.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1072173933.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 58 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1006628578.pdb -s /var/tmp/to_scwrl_1006628578.seq -o /var/tmp/from_scwrl_1006628578.pdb > /var/tmp/scwrl_1006628578.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1006628578.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 62 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1626811578.pdb -s /var/tmp/to_scwrl_1626811578.seq -o /var/tmp/from_scwrl_1626811578.pdb > /var/tmp/scwrl_1626811578.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1626811578.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 61 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1427633287.pdb -s /var/tmp/to_scwrl_1427633287.seq -o /var/tmp/from_scwrl_1427633287.pdb > /var/tmp/scwrl_1427633287.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1427633287.pdb # conformation set from SCWRL output # naming current conformation FOLDpro_TS5-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation FORTE1_AL1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1414248839.pdb -s /var/tmp/to_scwrl_1414248839.seq -o /var/tmp/from_scwrl_1414248839.pdb > /var/tmp/scwrl_1414248839.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1414248839.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 T0327 can't currently be optimized by undertaker # naming current conformation FORTE1_AL2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1479451720.pdb -s /var/tmp/to_scwrl_1479451720.seq -o /var/tmp/from_scwrl_1479451720.pdb > /var/tmp/scwrl_1479451720.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1479451720.pdb # conformation set from SCWRL output # naming current conformation FORTE1_AL2-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL3.pdb.gz looking for model 1 Skipped atom 265, because occupancy 1.0000000e+00 <= existing 1.000 in servers/FORTE1_AL3.pdb.gz # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation FORTE1_AL3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_845699539.pdb -s /var/tmp/to_scwrl_845699539.seq -o /var/tmp/from_scwrl_845699539.pdb > /var/tmp/scwrl_845699539.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_845699539.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 T0327 can't currently be optimized by undertaker # naming current conformation FORTE1_AL4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1582944799.pdb -s /var/tmp/to_scwrl_1582944799.seq -o /var/tmp/from_scwrl_1582944799.pdb > /var/tmp/scwrl_1582944799.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1582944799.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 T0327 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_237756959.pdb -s /var/tmp/to_scwrl_237756959.seq -o /var/tmp/from_scwrl_237756959.pdb > /var/tmp/scwrl_237756959.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_237756959.pdb # conformation set from SCWRL output # naming current conformation FORTE1_AL5-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation FORTE2_AL1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1132592897.pdb -s /var/tmp/to_scwrl_1132592897.seq -o /var/tmp/from_scwrl_1132592897.pdb > /var/tmp/scwrl_1132592897.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1132592897.pdb # conformation set from SCWRL output # naming current conformation FORTE2_AL1-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL2.pdb.gz looking for model 1 Skipped atom 265, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation FORTE2_AL2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_658885957.pdb -s /var/tmp/to_scwrl_658885957.seq -o /var/tmp/from_scwrl_658885957.pdb > /var/tmp/scwrl_658885957.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_658885957.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 T0327 can't currently be optimized by undertaker # naming current conformation FORTE2_AL3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_2013520674.pdb -s /var/tmp/to_scwrl_2013520674.seq -o /var/tmp/from_scwrl_2013520674.pdb > /var/tmp/scwrl_2013520674.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2013520674.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 T0327 can't currently be optimized by undertaker # naming current conformation FORTE2_AL4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_14275930.pdb -s /var/tmp/to_scwrl_14275930.seq -o /var/tmp/from_scwrl_14275930.pdb > /var/tmp/scwrl_14275930.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_14275930.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 T0327 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE2_AL5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1380489250.pdb -s /var/tmp/to_scwrl_1380489250.seq -o /var/tmp/from_scwrl_1380489250.pdb > /var/tmp/scwrl_1380489250.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1380489250.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 99 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_178380847.pdb -s /var/tmp/to_scwrl_178380847.seq -o /var/tmp/from_scwrl_178380847.pdb > /var/tmp/scwrl_178380847.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_178380847.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 101 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1377874575.pdb -s /var/tmp/to_scwrl_1377874575.seq -o /var/tmp/from_scwrl_1377874575.pdb > /var/tmp/scwrl_1377874575.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1377874575.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 101 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1545839275.pdb -s /var/tmp/to_scwrl_1545839275.seq -o /var/tmp/from_scwrl_1545839275.pdb > /var/tmp/scwrl_1545839275.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1545839275.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 75 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1731848689.pdb -s /var/tmp/to_scwrl_1731848689.seq -o /var/tmp/from_scwrl_1731848689.pdb > /var/tmp/scwrl_1731848689.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1731848689.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 96 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1975713248.pdb -s /var/tmp/to_scwrl_1975713248.seq -o /var/tmp/from_scwrl_1975713248.pdb > /var/tmp/scwrl_1975713248.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1975713248.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 68 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_951109672.pdb -s /var/tmp/to_scwrl_951109672.seq -o /var/tmp/from_scwrl_951109672.pdb > /var/tmp/scwrl_951109672.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_951109672.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 78 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_330338485.pdb -s /var/tmp/to_scwrl_330338485.seq -o /var/tmp/from_scwrl_330338485.pdb > /var/tmp/scwrl_330338485.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_330338485.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 T0327 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_2102402295.pdb -s /var/tmp/to_scwrl_2102402295.seq -o /var/tmp/from_scwrl_2102402295.pdb > /var/tmp/scwrl_2102402295.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2102402295.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS3-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS4.pdb.gz looking for model 1 # Found a chain break before 95 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1259335465.pdb -s /var/tmp/to_scwrl_1259335465.seq -o /var/tmp/from_scwrl_1259335465.pdb > /var/tmp/scwrl_1259335465.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1259335465.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS4-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS5.pdb.gz looking for model 1 # Found a chain break before 69 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_2101381143.pdb -s /var/tmp/to_scwrl_2101381143.seq -o /var/tmp/from_scwrl_2101381143.pdb > /var/tmp/scwrl_2101381143.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2101381143.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 T0327 can't currently be optimized by undertaker # naming current conformation FUGUE_AL1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_252917016.pdb -s /var/tmp/to_scwrl_252917016.seq -o /var/tmp/from_scwrl_252917016.pdb > /var/tmp/scwrl_252917016.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_252917016.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 T0327 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_750708369.pdb -s /var/tmp/to_scwrl_750708369.seq -o /var/tmp/from_scwrl_750708369.pdb > /var/tmp/scwrl_750708369.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_750708369.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 T0327 can't currently be optimized by undertaker # naming current conformation FUGUE_AL3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1654156772.pdb -s /var/tmp/to_scwrl_1654156772.seq -o /var/tmp/from_scwrl_1654156772.pdb > /var/tmp/scwrl_1654156772.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1654156772.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 T0327 can't currently be optimized by undertaker # naming current conformation FUGUE_AL4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1603759333.pdb -s /var/tmp/to_scwrl_1603759333.seq -o /var/tmp/from_scwrl_1603759333.pdb > /var/tmp/scwrl_1603759333.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1603759333.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 323, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL5.pdb.gz Skipped atom 325, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL5.pdb.gz Skipped atom 327, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL5.pdb.gz Skipped atom 329, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL5.pdb.gz Skipped atom 331, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL5.pdb.gz # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1481259079.pdb -s /var/tmp/to_scwrl_1481259079.seq -o /var/tmp/from_scwrl_1481259079.pdb > /var/tmp/scwrl_1481259079.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1481259079.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 99 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_746783166.pdb -s /var/tmp/to_scwrl_746783166.seq -o /var/tmp/from_scwrl_746783166.pdb > /var/tmp/scwrl_746783166.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_746783166.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 99 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_486625483.pdb -s /var/tmp/to_scwrl_486625483.seq -o /var/tmp/from_scwrl_486625483.pdb > /var/tmp/scwrl_486625483.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_486625483.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 97 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_405949365.pdb -s /var/tmp/to_scwrl_405949365.seq -o /var/tmp/from_scwrl_405949365.pdb > /var/tmp/scwrl_405949365.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_405949365.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 98 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1753411743.pdb -s /var/tmp/to_scwrl_1753411743.seq -o /var/tmp/from_scwrl_1753411743.pdb > /var/tmp/scwrl_1753411743.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1753411743.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 98 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_2113437061.pdb -s /var/tmp/to_scwrl_2113437061.seq -o /var/tmp/from_scwrl_2113437061.pdb > /var/tmp/scwrl_2113437061.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2113437061.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 92 ; scwrl3 -i /var/tmp/to_scwrl_1833582653.pdb -s /var/tmp/to_scwrl_1833582653.seq -o /var/tmp/from_scwrl_1833582653.pdb > /var/tmp/scwrl_1833582653.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1833582653.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS1-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS2.pdb.gz looking for model 1 # Found a chain break before 78 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1020176936.pdb -s /var/tmp/to_scwrl_1020176936.seq -o /var/tmp/from_scwrl_1020176936.pdb > /var/tmp/scwrl_1020176936.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1020176936.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 T0327 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1445405134.pdb -s /var/tmp/to_scwrl_1445405134.seq -o /var/tmp/from_scwrl_1445405134.pdb > /var/tmp/scwrl_1445405134.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1445405134.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 62 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_531798545.pdb -s /var/tmp/to_scwrl_531798545.seq -o /var/tmp/from_scwrl_531798545.pdb > /var/tmp/scwrl_531798545.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_531798545.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS4-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS5.pdb.gz looking for model 1 # Found a chain break before 64 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_455638088.pdb -s /var/tmp/to_scwrl_455638088.seq -o /var/tmp/from_scwrl_455638088.pdb > /var/tmp/scwrl_455638088.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_455638088.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS5-scwrl # ReadConformPDB reading from PDB file servers/HHpred1_TS1.pdb.gz looking for model 1 # Found a chain break before 47 # copying to AlignedFragments data structure # naming current conformation HHpred1_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1683162094.pdb -s /var/tmp/to_scwrl_1683162094.seq -o /var/tmp/from_scwrl_1683162094.pdb > /var/tmp/scwrl_1683162094.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1683162094.pdb # conformation set from SCWRL output # naming current conformation HHpred1_TS1-scwrl # ReadConformPDB reading from PDB file servers/HHpred2_TS1.pdb.gz looking for model 1 # Found a chain break before 55 # copying to AlignedFragments data structure # naming current conformation HHpred2_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1664391442.pdb -s /var/tmp/to_scwrl_1664391442.seq -o /var/tmp/from_scwrl_1664391442.pdb > /var/tmp/scwrl_1664391442.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1664391442.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 55 # copying to AlignedFragments data structure # naming current conformation HHpred3_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1114524044.pdb -s /var/tmp/to_scwrl_1114524044.seq -o /var/tmp/from_scwrl_1114524044.pdb > /var/tmp/scwrl_1114524044.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1114524044.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 T0327 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1549199121.pdb -s /var/tmp/to_scwrl_1549199121.seq -o /var/tmp/from_scwrl_1549199121.pdb > /var/tmp/scwrl_1549199121.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1549199121.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 T0327 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1678667372.pdb -s /var/tmp/to_scwrl_1678667372.seq -o /var/tmp/from_scwrl_1678667372.pdb > /var/tmp/scwrl_1678667372.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1678667372.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 T0327 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_347529648.pdb -s /var/tmp/to_scwrl_347529648.seq -o /var/tmp/from_scwrl_347529648.pdb > /var/tmp/scwrl_347529648.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_347529648.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 T0327 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1727579968.pdb -s /var/tmp/to_scwrl_1727579968.seq -o /var/tmp/from_scwrl_1727579968.pdb > /var/tmp/scwrl_1727579968.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1727579968.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 T0327 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_909058301.pdb -s /var/tmp/to_scwrl_909058301.seq -o /var/tmp/from_scwrl_909058301.pdb > /var/tmp/scwrl_909058301.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_909058301.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 T0327 can't currently be optimized by undertaker # naming current conformation LOOPP_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1893368923.pdb -s /var/tmp/to_scwrl_1893368923.seq -o /var/tmp/from_scwrl_1893368923.pdb > /var/tmp/scwrl_1893368923.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1893368923.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 T0327 can't currently be optimized by undertaker # naming current conformation LOOPP_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1311945010.pdb -s /var/tmp/to_scwrl_1311945010.seq -o /var/tmp/from_scwrl_1311945010.pdb > /var/tmp/scwrl_1311945010.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1311945010.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 T0327 can't currently be optimized by undertaker # naming current conformation LOOPP_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_737287903.pdb -s /var/tmp/to_scwrl_737287903.seq -o /var/tmp/from_scwrl_737287903.pdb > /var/tmp/scwrl_737287903.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_737287903.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 T0327 can't currently be optimized by undertaker # naming current conformation LOOPP_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_696994948.pdb -s /var/tmp/to_scwrl_696994948.seq -o /var/tmp/from_scwrl_696994948.pdb > /var/tmp/scwrl_696994948.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_696994948.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 T0327 can't currently be optimized by undertaker # naming current conformation LOOPP_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1642283496.pdb -s /var/tmp/to_scwrl_1642283496.seq -o /var/tmp/from_scwrl_1642283496.pdb > /var/tmp/scwrl_1642283496.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1642283496.pdb # conformation set from SCWRL output # naming current conformation LOOPP_TS5-scwrl # ReadConformPDB reading from PDB file servers/MIG_FROST_AL1.pdb.gz looking for model 1 Error: Reading chain from PDB file servers/MIG_FROST_AL1.pdb.gz failed. # naming current conformation MIG_FROST_AL1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_692206551.pdb -s /var/tmp/to_scwrl_692206551.seq -o /var/tmp/from_scwrl_692206551.pdb > /var/tmp/scwrl_692206551.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_692206551.pdb # conformation set from SCWRL output # naming current conformation MIG_FROST_AL1-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS1.pdb.gz looking for model 1 # Found a chain break before 92 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1956330413.pdb -s /var/tmp/to_scwrl_1956330413.seq -o /var/tmp/from_scwrl_1956330413.pdb > /var/tmp/scwrl_1956330413.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1956330413.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server2_TS1-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS2.pdb.gz looking for model 1 # Found a chain break before 64 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1596180992.pdb -s /var/tmp/to_scwrl_1596180992.seq -o /var/tmp/from_scwrl_1596180992.pdb > /var/tmp/scwrl_1596180992.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1596180992.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server2_TS2-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS3.pdb.gz looking for model 1 # Found a chain break before 92 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_945123567.pdb -s /var/tmp/to_scwrl_945123567.seq -o /var/tmp/from_scwrl_945123567.pdb > /var/tmp/scwrl_945123567.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_945123567.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server2_TS3-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS4.pdb.gz looking for model 1 # Found a chain break before 47 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_559555135.pdb -s /var/tmp/to_scwrl_559555135.seq -o /var/tmp/from_scwrl_559555135.pdb > /var/tmp/scwrl_559555135.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_559555135.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server2_TS4-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS5.pdb.gz looking for model 1 # Found a chain break before 89 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1102854117.pdb -s /var/tmp/to_scwrl_1102854117.seq -o /var/tmp/from_scwrl_1102854117.pdb > /var/tmp/scwrl_1102854117.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1102854117.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server2_TS5-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS1.pdb.gz looking for model 1 # Found a chain break before 88 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_401399253.pdb -s /var/tmp/to_scwrl_401399253.seq -o /var/tmp/from_scwrl_401399253.pdb > /var/tmp/scwrl_401399253.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_401399253.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server_TS1-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS2.pdb.gz looking for model 1 # Found a chain break before 63 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_2040814214.pdb -s /var/tmp/to_scwrl_2040814214.seq -o /var/tmp/from_scwrl_2040814214.pdb > /var/tmp/scwrl_2040814214.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2040814214.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 92 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1849637284.pdb -s /var/tmp/to_scwrl_1849637284.seq -o /var/tmp/from_scwrl_1849637284.pdb > /var/tmp/scwrl_1849637284.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1849637284.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 48 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_888024736.pdb -s /var/tmp/to_scwrl_888024736.seq -o /var/tmp/from_scwrl_888024736.pdb > /var/tmp/scwrl_888024736.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_888024736.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 89 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_299279933.pdb -s /var/tmp/to_scwrl_299279933.seq -o /var/tmp/from_scwrl_299279933.pdb > /var/tmp/scwrl_299279933.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_299279933.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 97 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1455565380.pdb -s /var/tmp/to_scwrl_1455565380.seq -o /var/tmp/from_scwrl_1455565380.pdb > /var/tmp/scwrl_1455565380.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1455565380.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 99 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_853978151.pdb -s /var/tmp/to_scwrl_853978151.seq -o /var/tmp/from_scwrl_853978151.pdb > /var/tmp/scwrl_853978151.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_853978151.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 101 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_2132862586.pdb -s /var/tmp/to_scwrl_2132862586.seq -o /var/tmp/from_scwrl_2132862586.pdb > /var/tmp/scwrl_2132862586.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2132862586.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 101 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_328258670.pdb -s /var/tmp/to_scwrl_328258670.seq -o /var/tmp/from_scwrl_328258670.pdb > /var/tmp/scwrl_328258670.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_328258670.pdb # conformation set from SCWRL output # naming current conformation MetaTasser_TS4-scwrl # ReadConformPDB reading from PDB file servers/MetaTasser_TS5.pdb.gz looking for model 1 # Found a chain break before 98 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_151899638.pdb -s /var/tmp/to_scwrl_151899638.seq -o /var/tmp/from_scwrl_151899638.pdb > /var/tmp/scwrl_151899638.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_151899638.pdb # conformation set from SCWRL output # naming current conformation MetaTasser_TS5-scwrl # ReadConformPDB reading from PDB file servers/NN_PUT_lab_TS1.pdb.gz looking for model 1 # Found a chain break before 77 # copying to AlignedFragments data structure # naming current conformation NN_PUT_lab_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_517177484.pdb -s /var/tmp/to_scwrl_517177484.seq -o /var/tmp/from_scwrl_517177484.pdb > /var/tmp/scwrl_517177484.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_517177484.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 83 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_783896758.pdb -s /var/tmp/to_scwrl_783896758.seq -o /var/tmp/from_scwrl_783896758.pdb > /var/tmp/scwrl_783896758.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_783896758.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 101 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1835061732.pdb -s /var/tmp/to_scwrl_1835061732.seq -o /var/tmp/from_scwrl_1835061732.pdb > /var/tmp/scwrl_1835061732.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1835061732.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 98 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_34085279.pdb -s /var/tmp/to_scwrl_34085279.seq -o /var/tmp/from_scwrl_34085279.pdb > /var/tmp/scwrl_34085279.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_34085279.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 97 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1898420803.pdb -s /var/tmp/to_scwrl_1898420803.seq -o /var/tmp/from_scwrl_1898420803.pdb > /var/tmp/scwrl_1898420803.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1898420803.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 100 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1236777206.pdb -s /var/tmp/to_scwrl_1236777206.seq -o /var/tmp/from_scwrl_1236777206.pdb > /var/tmp/scwrl_1236777206.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1236777206.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 92 ; scwrl3 -i /var/tmp/to_scwrl_1712752652.pdb -s /var/tmp/to_scwrl_1712752652.seq -o /var/tmp/from_scwrl_1712752652.pdb > /var/tmp/scwrl_1712752652.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1712752652.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 92 ; scwrl3 -i /var/tmp/to_scwrl_98466804.pdb -s /var/tmp/to_scwrl_98466804.seq -o /var/tmp/from_scwrl_98466804.pdb > /var/tmp/scwrl_98466804.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_98466804.pdb # conformation set from SCWRL output # naming current conformation PROTINFO-AB_TS2-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS3.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_816873528.pdb -s /var/tmp/to_scwrl_816873528.seq -o /var/tmp/from_scwrl_816873528.pdb > /var/tmp/scwrl_816873528.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_816873528.pdb # conformation set from SCWRL output # naming current conformation PROTINFO-AB_TS3-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS4.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_474327306.pdb -s /var/tmp/to_scwrl_474327306.seq -o /var/tmp/from_scwrl_474327306.pdb > /var/tmp/scwrl_474327306.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_474327306.pdb # conformation set from SCWRL output # naming current conformation PROTINFO-AB_TS4-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS5.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1991835728.pdb -s /var/tmp/to_scwrl_1991835728.seq -o /var/tmp/from_scwrl_1991835728.pdb > /var/tmp/scwrl_1991835728.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1991835728.pdb # conformation set from SCWRL output # naming current conformation PROTINFO-AB_TS5-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS1.pdb.gz looking for model 1 # Found a chain break before 65 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_2128818539.pdb -s /var/tmp/to_scwrl_2128818539.seq -o /var/tmp/from_scwrl_2128818539.pdb > /var/tmp/scwrl_2128818539.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2128818539.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS1-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS2.pdb.gz looking for model 1 # Found a chain break before 65 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1211615208.pdb -s /var/tmp/to_scwrl_1211615208.seq -o /var/tmp/from_scwrl_1211615208.pdb > /var/tmp/scwrl_1211615208.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1211615208.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS2-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS3.pdb.gz looking for model 1 # Found a chain break before 65 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_541347029.pdb -s /var/tmp/to_scwrl_541347029.seq -o /var/tmp/from_scwrl_541347029.pdb > /var/tmp/scwrl_541347029.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_541347029.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS3-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS4.pdb.gz looking for model 1 # Found a chain break before 64 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1623618388.pdb -s /var/tmp/to_scwrl_1623618388.seq -o /var/tmp/from_scwrl_1623618388.pdb > /var/tmp/scwrl_1623618388.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1623618388.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS4-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS5.pdb.gz looking for model 1 # Found a chain break before 81 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1903821760.pdb -s /var/tmp/to_scwrl_1903821760.seq -o /var/tmp/from_scwrl_1903821760.pdb > /var/tmp/scwrl_1903821760.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1903821760.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 T0327 can't currently be optimized by undertaker # naming current conformation Pcons6_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_350193796.pdb -s /var/tmp/to_scwrl_350193796.seq -o /var/tmp/from_scwrl_350193796.pdb > /var/tmp/scwrl_350193796.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_350193796.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 T0327 can't currently be optimized by undertaker # naming current conformation Pcons6_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1072315734.pdb -s /var/tmp/to_scwrl_1072315734.seq -o /var/tmp/from_scwrl_1072315734.pdb > /var/tmp/scwrl_1072315734.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1072315734.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 T0327 can't currently be optimized by undertaker # naming current conformation Pcons6_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_701461680.pdb -s /var/tmp/to_scwrl_701461680.seq -o /var/tmp/from_scwrl_701461680.pdb > /var/tmp/scwrl_701461680.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_701461680.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 T0327 can't currently be optimized by undertaker # naming current conformation Pcons6_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_909748931.pdb -s /var/tmp/to_scwrl_909748931.seq -o /var/tmp/from_scwrl_909748931.pdb > /var/tmp/scwrl_909748931.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_909748931.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 T0327 can't currently be optimized by undertaker # naming current conformation Pcons6_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_27686205.pdb -s /var/tmp/to_scwrl_27686205.seq -o /var/tmp/from_scwrl_27686205.pdb > /var/tmp/scwrl_27686205.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_27686205.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 T0327 can't currently be optimized by undertaker # naming current conformation Phyre-1_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1102860933.pdb -s /var/tmp/to_scwrl_1102860933.seq -o /var/tmp/from_scwrl_1102860933.pdb > /var/tmp/scwrl_1102860933.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1102860933.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 T0327 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 92 ; scwrl3 -i /var/tmp/to_scwrl_803079499.pdb -s /var/tmp/to_scwrl_803079499.seq -o /var/tmp/from_scwrl_803079499.pdb > /var/tmp/scwrl_803079499.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_803079499.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 T0327 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 92 ; scwrl3 -i /var/tmp/to_scwrl_1877323489.pdb -s /var/tmp/to_scwrl_1877323489.seq -o /var/tmp/from_scwrl_1877323489.pdb > /var/tmp/scwrl_1877323489.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1877323489.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 T0327 can't currently be optimized by undertaker # naming current conformation Phyre-2_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1990885669.pdb -s /var/tmp/to_scwrl_1990885669.seq -o /var/tmp/from_scwrl_1990885669.pdb > /var/tmp/scwrl_1990885669.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1990885669.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 T0327 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 92 ; scwrl3 -i /var/tmp/to_scwrl_1102359431.pdb -s /var/tmp/to_scwrl_1102359431.seq -o /var/tmp/from_scwrl_1102359431.pdb > /var/tmp/scwrl_1102359431.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1102359431.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 T0327 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 92 ; scwrl3 -i /var/tmp/to_scwrl_1185405222.pdb -s /var/tmp/to_scwrl_1185405222.seq -o /var/tmp/from_scwrl_1185405222.pdb > /var/tmp/scwrl_1185405222.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1185405222.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS5-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_697380173.pdb -s /var/tmp/to_scwrl_697380173.seq -o /var/tmp/from_scwrl_697380173.pdb > /var/tmp/scwrl_697380173.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_697380173.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 77 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1087738370.pdb -s /var/tmp/to_scwrl_1087738370.seq -o /var/tmp/from_scwrl_1087738370.pdb > /var/tmp/scwrl_1087738370.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1087738370.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 # Found a chain break before 59 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1513663892.pdb -s /var/tmp/to_scwrl_1513663892.seq -o /var/tmp/from_scwrl_1513663892.pdb > /var/tmp/scwrl_1513663892.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1513663892.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 T0327 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_849279812.pdb -s /var/tmp/to_scwrl_849279812.seq -o /var/tmp/from_scwrl_849279812.pdb > /var/tmp/scwrl_849279812.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_849279812.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS4-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS5.pdb.gz looking for model 1 # Found a chain break before 51 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1604915854.pdb -s /var/tmp/to_scwrl_1604915854.seq -o /var/tmp/from_scwrl_1604915854.pdb > /var/tmp/scwrl_1604915854.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1604915854.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 79 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_150077004.pdb -s /var/tmp/to_scwrl_150077004.seq -o /var/tmp/from_scwrl_150077004.pdb > /var/tmp/scwrl_150077004.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_150077004.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 92 ; scwrl3 -i /var/tmp/to_scwrl_536857897.pdb -s /var/tmp/to_scwrl_536857897.seq -o /var/tmp/from_scwrl_536857897.pdb > /var/tmp/scwrl_536857897.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_536857897.pdb # conformation set from SCWRL output # naming current conformation RAPTOR-ACE_TS2-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS3.pdb.gz looking for model 1 # Found a chain break before 77 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1639001133.pdb -s /var/tmp/to_scwrl_1639001133.seq -o /var/tmp/from_scwrl_1639001133.pdb > /var/tmp/scwrl_1639001133.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1639001133.pdb # conformation set from SCWRL output # naming current conformation RAPTOR-ACE_TS3-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS4.pdb.gz looking for model 1 # Found a chain break before 18 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_2048497807.pdb -s /var/tmp/to_scwrl_2048497807.seq -o /var/tmp/from_scwrl_2048497807.pdb > /var/tmp/scwrl_2048497807.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2048497807.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 65 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1773635104.pdb -s /var/tmp/to_scwrl_1773635104.seq -o /var/tmp/from_scwrl_1773635104.pdb > /var/tmp/scwrl_1773635104.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1773635104.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 99 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1204270138.pdb -s /var/tmp/to_scwrl_1204270138.seq -o /var/tmp/from_scwrl_1204270138.pdb > /var/tmp/scwrl_1204270138.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1204270138.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 62 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_2146964611.pdb -s /var/tmp/to_scwrl_2146964611.seq -o /var/tmp/from_scwrl_2146964611.pdb > /var/tmp/scwrl_2146964611.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2146964611.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 31 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_443024985.pdb -s /var/tmp/to_scwrl_443024985.seq -o /var/tmp/from_scwrl_443024985.pdb > /var/tmp/scwrl_443024985.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_443024985.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 101 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1678597445.pdb -s /var/tmp/to_scwrl_1678597445.seq -o /var/tmp/from_scwrl_1678597445.pdb > /var/tmp/scwrl_1678597445.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1678597445.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 101 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1991316692.pdb -s /var/tmp/to_scwrl_1991316692.seq -o /var/tmp/from_scwrl_1991316692.pdb > /var/tmp/scwrl_1991316692.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1991316692.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 88 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_424359877.pdb -s /var/tmp/to_scwrl_424359877.seq -o /var/tmp/from_scwrl_424359877.pdb > /var/tmp/scwrl_424359877.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_424359877.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 82 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_742729007.pdb -s /var/tmp/to_scwrl_742729007.seq -o /var/tmp/from_scwrl_742729007.pdb > /var/tmp/scwrl_742729007.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_742729007.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 96 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_385180075.pdb -s /var/tmp/to_scwrl_385180075.seq -o /var/tmp/from_scwrl_385180075.pdb > /var/tmp/scwrl_385180075.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_385180075.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 65 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_2047978265.pdb -s /var/tmp/to_scwrl_2047978265.seq -o /var/tmp/from_scwrl_2047978265.pdb > /var/tmp/scwrl_2047978265.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2047978265.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 77 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_499067120.pdb -s /var/tmp/to_scwrl_499067120.seq -o /var/tmp/from_scwrl_499067120.pdb > /var/tmp/scwrl_499067120.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_499067120.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 59 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_735373871.pdb -s /var/tmp/to_scwrl_735373871.seq -o /var/tmp/from_scwrl_735373871.pdb > /var/tmp/scwrl_735373871.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_735373871.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 59 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_972810353.pdb -s /var/tmp/to_scwrl_972810353.seq -o /var/tmp/from_scwrl_972810353.pdb > /var/tmp/scwrl_972810353.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_972810353.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 75 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1200528800.pdb -s /var/tmp/to_scwrl_1200528800.seq -o /var/tmp/from_scwrl_1200528800.pdb > /var/tmp/scwrl_1200528800.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1200528800.pdb # conformation set from SCWRL output # naming current conformation ROBETTA_TS3-scwrl # ReadConformPDB reading from PDB file servers/ROBETTA_TS4.pdb.gz looking for model 1 # Found a chain break before 51 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1645122801.pdb -s /var/tmp/to_scwrl_1645122801.seq -o /var/tmp/from_scwrl_1645122801.pdb > /var/tmp/scwrl_1645122801.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1645122801.pdb # conformation set from SCWRL output # naming current conformation ROBETTA_TS4-scwrl # ReadConformPDB reading from PDB file servers/ROBETTA_TS5.pdb.gz looking for model 1 # Found a chain break before 77 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1000496558.pdb -s /var/tmp/to_scwrl_1000496558.seq -o /var/tmp/from_scwrl_1000496558.pdb > /var/tmp/scwrl_1000496558.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1000496558.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 T0327 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_155906087.pdb -s /var/tmp/to_scwrl_155906087.seq -o /var/tmp/from_scwrl_155906087.pdb > /var/tmp/scwrl_155906087.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_155906087.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 T0327 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_300718653.pdb -s /var/tmp/to_scwrl_300718653.seq -o /var/tmp/from_scwrl_300718653.pdb > /var/tmp/scwrl_300718653.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_300718653.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 T0327 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_730336400.pdb -s /var/tmp/to_scwrl_730336400.seq -o /var/tmp/from_scwrl_730336400.pdb > /var/tmp/scwrl_730336400.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_730336400.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 T0327 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_2146791756.pdb -s /var/tmp/to_scwrl_2146791756.seq -o /var/tmp/from_scwrl_2146791756.pdb > /var/tmp/scwrl_2146791756.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2146791756.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 T0327 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1403078084.pdb -s /var/tmp/to_scwrl_1403078084.seq -o /var/tmp/from_scwrl_1403078084.pdb > /var/tmp/scwrl_1403078084.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1403078084.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 T0327 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1915741622.pdb -s /var/tmp/to_scwrl_1915741622.seq -o /var/tmp/from_scwrl_1915741622.pdb > /var/tmp/scwrl_1915741622.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1915741622.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 T0327 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_696688283.pdb -s /var/tmp/to_scwrl_696688283.seq -o /var/tmp/from_scwrl_696688283.pdb > /var/tmp/scwrl_696688283.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_696688283.pdb # conformation set from SCWRL output # naming current conformation SAM-T02_AL2-scwrl # ReadConformPDB reading from PDB file servers/SAM-T02_AL3.pdb.gz looking for model 1 Skipped atom 118, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 120, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 122, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 124, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 198, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 200, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 202, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 204, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_343332808.pdb -s /var/tmp/to_scwrl_343332808.seq -o /var/tmp/from_scwrl_343332808.pdb > /var/tmp/scwrl_343332808.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_343332808.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 T0327 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1281921868.pdb -s /var/tmp/to_scwrl_1281921868.seq -o /var/tmp/from_scwrl_1281921868.pdb > /var/tmp/scwrl_1281921868.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1281921868.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 T0327 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1545968094.pdb -s /var/tmp/to_scwrl_1545968094.seq -o /var/tmp/from_scwrl_1545968094.pdb > /var/tmp/scwrl_1545968094.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1545968094.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 T0327 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1948248662.pdb -s /var/tmp/to_scwrl_1948248662.seq -o /var/tmp/from_scwrl_1948248662.pdb > /var/tmp/scwrl_1948248662.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1948248662.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL1-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1431998872.pdb -s /var/tmp/to_scwrl_1431998872.seq -o /var/tmp/from_scwrl_1431998872.pdb > /var/tmp/scwrl_1431998872.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1431998872.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL2-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL3.pdb.gz looking for model 1 Skipped atom 50, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 52, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 54, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 56, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 70, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 72, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 74, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 76, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 202, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 204, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 206, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 208, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 234, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 236, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 238, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 240, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_2082825991.pdb -s /var/tmp/to_scwrl_2082825991.seq -o /var/tmp/from_scwrl_2082825991.pdb > /var/tmp/scwrl_2082825991.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2082825991.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL3-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1439766149.pdb -s /var/tmp/to_scwrl_1439766149.seq -o /var/tmp/from_scwrl_1439766149.pdb > /var/tmp/scwrl_1439766149.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1439766149.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL4-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1333013032.pdb -s /var/tmp/to_scwrl_1333013032.seq -o /var/tmp/from_scwrl_1333013032.pdb > /var/tmp/scwrl_1333013032.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1333013032.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL5-scwrl # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS1.pdb.gz looking for model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # naming current conformation SAM_T06_server_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1708977448.pdb -s /var/tmp/to_scwrl_1708977448.seq -o /var/tmp/from_scwrl_1708977448.pdb > /var/tmp/scwrl_1708977448.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1708977448.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 T0327 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_496552641.pdb -s /var/tmp/to_scwrl_496552641.seq -o /var/tmp/from_scwrl_496552641.pdb > /var/tmp/scwrl_496552641.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_496552641.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 T0327 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1332493996.pdb -s /var/tmp/to_scwrl_1332493996.seq -o /var/tmp/from_scwrl_1332493996.pdb > /var/tmp/scwrl_1332493996.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1332493996.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 T0327 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_4518787.pdb -s /var/tmp/to_scwrl_4518787.seq -o /var/tmp/from_scwrl_4518787.pdb > /var/tmp/scwrl_4518787.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_4518787.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 T0327 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_27666439.pdb -s /var/tmp/to_scwrl_27666439.seq -o /var/tmp/from_scwrl_27666439.pdb > /var/tmp/scwrl_27666439.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_27666439.pdb # conformation set from SCWRL output # naming current conformation SAM_T06_server_TS5-scwrl # ReadConformPDB reading from PDB file servers/SP3_TS1.pdb.gz looking for model 1 # Found a chain break before 77 # copying to AlignedFragments data structure # naming current conformation SP3_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1176327042.pdb -s /var/tmp/to_scwrl_1176327042.seq -o /var/tmp/from_scwrl_1176327042.pdb > /var/tmp/scwrl_1176327042.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1176327042.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 66 # copying to AlignedFragments data structure # naming current conformation SP3_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_428878664.pdb -s /var/tmp/to_scwrl_428878664.seq -o /var/tmp/from_scwrl_428878664.pdb > /var/tmp/scwrl_428878664.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_428878664.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 93 # copying to AlignedFragments data structure # naming current conformation SP3_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_770395447.pdb -s /var/tmp/to_scwrl_770395447.seq -o /var/tmp/from_scwrl_770395447.pdb > /var/tmp/scwrl_770395447.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_770395447.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 59 # copying to AlignedFragments data structure # naming current conformation SP3_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1561507117.pdb -s /var/tmp/to_scwrl_1561507117.seq -o /var/tmp/from_scwrl_1561507117.pdb > /var/tmp/scwrl_1561507117.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1561507117.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 79 # copying to AlignedFragments data structure # naming current conformation SP3_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_329373283.pdb -s /var/tmp/to_scwrl_329373283.seq -o /var/tmp/from_scwrl_329373283.pdb > /var/tmp/scwrl_329373283.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_329373283.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 58 # copying to AlignedFragments data structure # naming current conformation SP4_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1269462566.pdb -s /var/tmp/to_scwrl_1269462566.seq -o /var/tmp/from_scwrl_1269462566.pdb > /var/tmp/scwrl_1269462566.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1269462566.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 20 # copying to AlignedFragments data structure # naming current conformation SP4_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_149397341.pdb -s /var/tmp/to_scwrl_149397341.seq -o /var/tmp/from_scwrl_149397341.pdb > /var/tmp/scwrl_149397341.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_149397341.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 75 # copying to AlignedFragments data structure # naming current conformation SP4_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1302183635.pdb -s /var/tmp/to_scwrl_1302183635.seq -o /var/tmp/from_scwrl_1302183635.pdb > /var/tmp/scwrl_1302183635.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1302183635.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 82 # copying to AlignedFragments data structure # naming current conformation SP4_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_322507720.pdb -s /var/tmp/to_scwrl_322507720.seq -o /var/tmp/from_scwrl_322507720.pdb > /var/tmp/scwrl_322507720.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_322507720.pdb # conformation set from SCWRL output # naming current conformation SP4_TS4-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS5.pdb.gz looking for model 1 # Found a chain break before 88 # copying to AlignedFragments data structure # naming current conformation SP4_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1794520142.pdb -s /var/tmp/to_scwrl_1794520142.seq -o /var/tmp/from_scwrl_1794520142.pdb > /var/tmp/scwrl_1794520142.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1794520142.pdb # conformation set from SCWRL output # naming current conformation SP4_TS5-scwrl # ReadConformPDB reading from PDB file servers/SPARKS2_TS1.pdb.gz looking for model 1 # Found a chain break before 77 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_155196546.pdb -s /var/tmp/to_scwrl_155196546.seq -o /var/tmp/from_scwrl_155196546.pdb > /var/tmp/scwrl_155196546.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_155196546.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 22 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_478413807.pdb -s /var/tmp/to_scwrl_478413807.seq -o /var/tmp/from_scwrl_478413807.pdb > /var/tmp/scwrl_478413807.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_478413807.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 94 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_2095238796.pdb -s /var/tmp/to_scwrl_2095238796.seq -o /var/tmp/from_scwrl_2095238796.pdb > /var/tmp/scwrl_2095238796.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2095238796.pdb # conformation set from SCWRL output # naming current conformation SPARKS2_TS3-scwrl # ReadConformPDB reading from PDB file servers/SPARKS2_TS4.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_885532946.pdb -s /var/tmp/to_scwrl_885532946.seq -o /var/tmp/from_scwrl_885532946.pdb > /var/tmp/scwrl_885532946.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_885532946.pdb # conformation set from SCWRL output # naming current conformation SPARKS2_TS4-scwrl # ReadConformPDB reading from PDB file servers/SPARKS2_TS5.pdb.gz looking for model 1 # Found a chain break before 92 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_477721917.pdb -s /var/tmp/to_scwrl_477721917.seq -o /var/tmp/from_scwrl_477721917.pdb > /var/tmp/scwrl_477721917.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_477721917.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 T0327 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1350833233.pdb -s /var/tmp/to_scwrl_1350833233.seq -o /var/tmp/from_scwrl_1350833233.pdb > /var/tmp/scwrl_1350833233.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1350833233.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 T0327 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_653790921.pdb -s /var/tmp/to_scwrl_653790921.seq -o /var/tmp/from_scwrl_653790921.pdb > /var/tmp/scwrl_653790921.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_653790921.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 T0327 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1174410199.pdb -s /var/tmp/to_scwrl_1174410199.seq -o /var/tmp/from_scwrl_1174410199.pdb > /var/tmp/scwrl_1174410199.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1174410199.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 T0327 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1694166042.pdb -s /var/tmp/to_scwrl_1694166042.seq -o /var/tmp/from_scwrl_1694166042.pdb > /var/tmp/scwrl_1694166042.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1694166042.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 T0327 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1935712789.pdb -s /var/tmp/to_scwrl_1935712789.seq -o /var/tmp/from_scwrl_1935712789.pdb > /var/tmp/scwrl_1935712789.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1935712789.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_bnmx_TS5-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_expm_TS1.pdb.gz looking for model 1 WARNING: atoms too close: (T0327)N76.CA and (T0327)K87.CA only 0.000 apart, marking (T0327)K87.CA as missing WARNING: atoms too close: (T0327)G77.CA and (T0327)E88.CA only 0.000 apart, marking (T0327)E88.CA as missing # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation UNI-EID_expm_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_572894647.pdb -s /var/tmp/to_scwrl_572894647.seq -o /var/tmp/from_scwrl_572894647.pdb > /var/tmp/scwrl_572894647.log Error: Couldn't open file /var/tmp/from_scwrl_572894647.pdb or /var/tmp/from_scwrl_572894647.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_572894647_b.pdb or decoys//var/tmp/from_scwrl_572894647_b.pdb.gz for input Trying /var/tmp/from_scwrl_572894647_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_572894647_b.pdb or /var/tmp/from_scwrl_572894647_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_572894647_a.pdb or decoys//var/tmp/from_scwrl_572894647_a.pdb.gz for input Trying /var/tmp/from_scwrl_572894647_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_572894647_a.pdb or /var/tmp/from_scwrl_572894647_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_572894647.pdb or /var/tmp/from_scwrl_572894647_b.pdb or /var/tmp/from_scwrl_572894647_a.pdb Error: no new SCWRL conformation added # naming current conformation UNI-EID_expm_TS1-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1494931057.pdb -s /var/tmp/to_scwrl_1494931057.seq -o /var/tmp/from_scwrl_1494931057.pdb > /var/tmp/scwrl_1494931057.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1494931057.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 T0327 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1220228014.pdb -s /var/tmp/to_scwrl_1220228014.seq -o /var/tmp/from_scwrl_1220228014.pdb > /var/tmp/scwrl_1220228014.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1220228014.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 T0327 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_508236991.pdb -s /var/tmp/to_scwrl_508236991.seq -o /var/tmp/from_scwrl_508236991.pdb > /var/tmp/scwrl_508236991.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_508236991.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 Skipped atom 58, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 60, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 62, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 64, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 170, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 172, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 174, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 176, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 222, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 224, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 226, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 228, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_787213560.pdb -s /var/tmp/to_scwrl_787213560.seq -o /var/tmp/from_scwrl_787213560.pdb > /var/tmp/scwrl_787213560.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_787213560.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 T0327 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_405757400.pdb -s /var/tmp/to_scwrl_405757400.seq -o /var/tmp/from_scwrl_405757400.pdb > /var/tmp/scwrl_405757400.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_405757400.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 97 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_69730793.pdb -s /var/tmp/to_scwrl_69730793.seq -o /var/tmp/from_scwrl_69730793.pdb > /var/tmp/scwrl_69730793.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_69730793.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 65 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1283766201.pdb -s /var/tmp/to_scwrl_1283766201.seq -o /var/tmp/from_scwrl_1283766201.pdb > /var/tmp/scwrl_1283766201.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1283766201.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 79 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1738251397.pdb -s /var/tmp/to_scwrl_1738251397.seq -o /var/tmp/from_scwrl_1738251397.pdb > /var/tmp/scwrl_1738251397.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1738251397.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 100 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_74249580.pdb -s /var/tmp/to_scwrl_74249580.seq -o /var/tmp/from_scwrl_74249580.pdb > /var/tmp/scwrl_74249580.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_74249580.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 98 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1311432640.pdb -s /var/tmp/to_scwrl_1311432640.seq -o /var/tmp/from_scwrl_1311432640.pdb > /var/tmp/scwrl_1311432640.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1311432640.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 101 # copying to AlignedFragments data structure # naming current conformation beautshot_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_767094793.pdb -s /var/tmp/to_scwrl_767094793.seq -o /var/tmp/from_scwrl_767094793.pdb > /var/tmp/scwrl_767094793.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_767094793.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 T0327 can't currently be optimized by undertaker # naming current conformation beautshotbase_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_503128244.pdb -s /var/tmp/to_scwrl_503128244.seq -o /var/tmp/from_scwrl_503128244.pdb > /var/tmp/scwrl_503128244.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_503128244.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 T0327 can't currently be optimized by undertaker # naming current conformation forecast-s_AL1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_2081828087.pdb -s /var/tmp/to_scwrl_2081828087.seq -o /var/tmp/from_scwrl_2081828087.pdb > /var/tmp/scwrl_2081828087.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2081828087.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 T0327 can't currently be optimized by undertaker # naming current conformation forecast-s_AL2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_181118263.pdb -s /var/tmp/to_scwrl_181118263.seq -o /var/tmp/from_scwrl_181118263.pdb > /var/tmp/scwrl_181118263.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_181118263.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 T0327 can't currently be optimized by undertaker # naming current conformation forecast-s_AL3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_832501527.pdb -s /var/tmp/to_scwrl_832501527.seq -o /var/tmp/from_scwrl_832501527.pdb > /var/tmp/scwrl_832501527.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_832501527.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 T0327 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation forecast-s_AL4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1203807007.pdb -s /var/tmp/to_scwrl_1203807007.seq -o /var/tmp/from_scwrl_1203807007.pdb > /var/tmp/scwrl_1203807007.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1203807007.pdb # conformation set from SCWRL output # naming current conformation forecast-s_AL4-scwrl # ReadConformPDB reading from PDB file servers/forecast-s_AL5.pdb.gz looking for model 1 Skipped atom 138, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL5.pdb.gz Skipped atom 140, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL5.pdb.gz Skipped atom 142, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL5.pdb.gz Skipped atom 144, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL5.pdb.gz # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation forecast-s_AL5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_330515604.pdb -s /var/tmp/to_scwrl_330515604.seq -o /var/tmp/from_scwrl_330515604.pdb > /var/tmp/scwrl_330515604.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_330515604.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 T0327 can't currently be optimized by undertaker # naming current conformation gtg_AL1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_2134685162.pdb -s /var/tmp/to_scwrl_2134685162.seq -o /var/tmp/from_scwrl_2134685162.pdb > /var/tmp/scwrl_2134685162.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2134685162.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 T0327 can't currently be optimized by undertaker # naming current conformation gtg_AL2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1526314727.pdb -s /var/tmp/to_scwrl_1526314727.seq -o /var/tmp/from_scwrl_1526314727.pdb > /var/tmp/scwrl_1526314727.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1526314727.pdb # conformation set from SCWRL output # naming current conformation gtg_AL2-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS1.pdb.gz looking for model 1 # Found a chain break before 85 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_2125035746.pdb -s /var/tmp/to_scwrl_2125035746.seq -o /var/tmp/from_scwrl_2125035746.pdb > /var/tmp/scwrl_2125035746.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2125035746.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 92 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_142398061.pdb -s /var/tmp/to_scwrl_142398061.seq -o /var/tmp/from_scwrl_142398061.pdb > /var/tmp/scwrl_142398061.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_142398061.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 92 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_2004728535.pdb -s /var/tmp/to_scwrl_2004728535.seq -o /var/tmp/from_scwrl_2004728535.pdb > /var/tmp/scwrl_2004728535.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2004728535.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 91 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_2072790895.pdb -s /var/tmp/to_scwrl_2072790895.seq -o /var/tmp/from_scwrl_2072790895.pdb > /var/tmp/scwrl_2072790895.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2072790895.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.2_TS4-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS5.pdb.gz looking for model 1 # Found a chain break before 91 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1027931007.pdb -s /var/tmp/to_scwrl_1027931007.seq -o /var/tmp/from_scwrl_1027931007.pdb > /var/tmp/scwrl_1027931007.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1027931007.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 93 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_334966805.pdb -s /var/tmp/to_scwrl_334966805.seq -o /var/tmp/from_scwrl_334966805.pdb > /var/tmp/scwrl_334966805.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_334966805.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 99 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1276140482.pdb -s /var/tmp/to_scwrl_1276140482.seq -o /var/tmp/from_scwrl_1276140482.pdb > /var/tmp/scwrl_1276140482.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1276140482.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS2-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS3.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1681721928.pdb -s /var/tmp/to_scwrl_1681721928.seq -o /var/tmp/from_scwrl_1681721928.pdb > /var/tmp/scwrl_1681721928.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1681721928.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 99 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1509377004.pdb -s /var/tmp/to_scwrl_1509377004.seq -o /var/tmp/from_scwrl_1509377004.pdb > /var/tmp/scwrl_1509377004.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1509377004.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 99 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_822822878.pdb -s /var/tmp/to_scwrl_822822878.seq -o /var/tmp/from_scwrl_822822878.pdb > /var/tmp/scwrl_822822878.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_822822878.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 T0327 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1469951070.pdb -s /var/tmp/to_scwrl_1469951070.seq -o /var/tmp/from_scwrl_1469951070.pdb > /var/tmp/scwrl_1469951070.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1469951070.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 T0327 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_2082271651.pdb -s /var/tmp/to_scwrl_2082271651.seq -o /var/tmp/from_scwrl_2082271651.pdb > /var/tmp/scwrl_2082271651.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2082271651.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 T0327 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 92 ; scwrl3 -i /var/tmp/to_scwrl_170270288.pdb -s /var/tmp/to_scwrl_170270288.seq -o /var/tmp/from_scwrl_170270288.pdb > /var/tmp/scwrl_170270288.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_170270288.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 T0327 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_542695439.pdb -s /var/tmp/to_scwrl_542695439.seq -o /var/tmp/from_scwrl_542695439.pdb > /var/tmp/scwrl_542695439.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_542695439.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 T0327 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_443024995.pdb -s /var/tmp/to_scwrl_443024995.seq -o /var/tmp/from_scwrl_443024995.pdb > /var/tmp/scwrl_443024995.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_443024995.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 84 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_957483849.pdb -s /var/tmp/to_scwrl_957483849.seq -o /var/tmp/from_scwrl_957483849.pdb > /var/tmp/scwrl_957483849.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_957483849.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 86 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_948452839.pdb -s /var/tmp/to_scwrl_948452839.seq -o /var/tmp/from_scwrl_948452839.pdb > /var/tmp/scwrl_948452839.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_948452839.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS2-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS3.pdb.gz looking for model 1 # Found a chain break before 73 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_512755788.pdb -s /var/tmp/to_scwrl_512755788.seq -o /var/tmp/from_scwrl_512755788.pdb > /var/tmp/scwrl_512755788.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_512755788.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS3-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS4.pdb.gz looking for model 1 # naming current conformation keasar-server_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_93766403.pdb -s /var/tmp/to_scwrl_93766403.seq -o /var/tmp/from_scwrl_93766403.pdb > /var/tmp/scwrl_93766403.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_93766403.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS4-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS5.pdb.gz looking for model 1 # Found a chain break before 19 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_539220589.pdb -s /var/tmp/to_scwrl_539220589.seq -o /var/tmp/from_scwrl_539220589.pdb > /var/tmp/scwrl_539220589.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_539220589.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 T0327 can't currently be optimized by undertaker # naming current conformation mGen-3D_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_587005368.pdb -s /var/tmp/to_scwrl_587005368.seq -o /var/tmp/from_scwrl_587005368.pdb > /var/tmp/scwrl_587005368.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_587005368.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 T0327 can't currently be optimized by undertaker # naming current conformation nFOLD_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1405199043.pdb -s /var/tmp/to_scwrl_1405199043.seq -o /var/tmp/from_scwrl_1405199043.pdb > /var/tmp/scwrl_1405199043.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1405199043.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 T0327 can't currently be optimized by undertaker # naming current conformation nFOLD_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1306315381.pdb -s /var/tmp/to_scwrl_1306315381.seq -o /var/tmp/from_scwrl_1306315381.pdb > /var/tmp/scwrl_1306315381.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1306315381.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 T0327 can't currently be optimized by undertaker # naming current conformation nFOLD_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1090133612.pdb -s /var/tmp/to_scwrl_1090133612.seq -o /var/tmp/from_scwrl_1090133612.pdb > /var/tmp/scwrl_1090133612.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1090133612.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 T0327 can't currently be optimized by undertaker # naming current conformation nFOLD_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1339543484.pdb -s /var/tmp/to_scwrl_1339543484.seq -o /var/tmp/from_scwrl_1339543484.pdb > /var/tmp/scwrl_1339543484.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1339543484.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 T0327 can't currently be optimized by undertaker # naming current conformation nFOLD_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1487433644.pdb -s /var/tmp/to_scwrl_1487433644.seq -o /var/tmp/from_scwrl_1487433644.pdb > /var/tmp/scwrl_1487433644.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1487433644.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 T0327 can't currently be optimized by undertaker # naming current conformation panther2_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1922635139.pdb -s /var/tmp/to_scwrl_1922635139.seq -o /var/tmp/from_scwrl_1922635139.pdb > /var/tmp/scwrl_1922635139.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1922635139.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 T0327 can't currently be optimized by undertaker # naming current conformation shub_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_395866845.pdb -s /var/tmp/to_scwrl_395866845.seq -o /var/tmp/from_scwrl_395866845.pdb > /var/tmp/scwrl_395866845.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_395866845.pdb # conformation set from SCWRL output # naming current conformation shub_TS1-scwrl # command:CPU_time= 33.099 sec, elapsed time= 227.797 sec) # command:# Prefix for output files set to decoys/ # command:# Will now start reporting costs to decoys/evaluate.rdb # command:# CostConform Warning: Couldn't open file decoys//projects/compbio/experiments/undertaker/spots/near-backbone-center.spot or decoys//projects/compbio/experiments/undertaker/spots/near-backbone-center.spot.gz for input Trying /projects/compbio/experiments/undertaker/spots/near-backbone-center.spot # Reading spots from /projects/compbio/experiments/undertaker/spots/near-backbone-center.spot shub_TS1-scwrl costs 0 real_cost = -13.7887 shub_TS1 costs 0 real_cost = -13.5492 panther2_TS1-scwrl costs 0 real_cost = 303.657 panther2_TS1 costs 0 real_cost = 314.847 nFOLD_TS5-scwrl costs 0 real_cost = 109.124 nFOLD_TS5 costs 0 real_cost = 148.931 nFOLD_TS4-scwrl costs 0 real_cost = 40.2332 nFOLD_TS4 costs 0 real_cost = 87.7581 nFOLD_TS3-scwrl costs 0 real_cost = 66.5104 nFOLD_TS3 costs 0 real_cost = 114.391 nFOLD_TS2-scwrl costs 0 real_cost = 18.5709 nFOLD_TS2 costs 0 real_cost = 80.8793 nFOLD_TS1-scwrl costs 0 real_cost = 66.786 nFOLD_TS1 costs 0 real_cost = 129.348 mGen-3D_TS1-scwrl costs 0 real_cost = 73.3978 mGen-3D_TS1 costs 0 real_cost = 135.203 keasar-server_TS5-scwrl costs 0 real_cost = 25.4668 keasar-server_TS5 costs 0 real_cost = 36.6854 keasar-server_TS4-scwrl costs 0 real_cost = 17.2622 keasar-server_TS4 costs 0 real_cost = 25.1175 keasar-server_TS3-scwrl costs 0 real_cost = 40.1826 keasar-server_TS3 costs 0 real_cost = 45.1482 keasar-server_TS2-scwrl costs 0 real_cost = 52.5043 keasar-server_TS2 costs 0 real_cost = 66.2698 keasar-server_TS1-scwrl costs 0 real_cost = 11.7937 keasar-server_TS1 costs 0 real_cost = 56.6357 karypis.srv_TS5-scwrl costs 0 real_cost = 11.2489 karypis.srv_TS5 costs 0 real_cost = 9.24888 karypis.srv_TS4-scwrl costs 0 real_cost = 21.2752 karypis.srv_TS4 costs 0 real_cost = 19.2752 karypis.srv_TS3-scwrl costs 0 real_cost = 24.4015 karypis.srv_TS3 costs 0 real_cost = 24.4015 karypis.srv_TS2-scwrl costs 0 real_cost = -22.7944 karypis.srv_TS2 costs 0 real_cost = -24.7944 karypis.srv_TS1-scwrl costs 0 real_cost = -26.8979 karypis.srv_TS1 costs 0 real_cost = -28.8979 karypis.srv.4_TS5-scwrl costs 0 real_cost = 273.198 karypis.srv.4_TS5 costs 0 real_cost = 273.201 karypis.srv.4_TS4-scwrl costs 0 real_cost = 279.8 karypis.srv.4_TS4 costs 0 real_cost = 279.877 karypis.srv.4_TS3-scwrl costs 0 real_cost = 269.038 karypis.srv.4_TS3 costs 0 real_cost = 269.038 karypis.srv.4_TS2-scwrl costs 0 real_cost = 229.751 karypis.srv.4_TS2 costs 0 real_cost = 229.751 karypis.srv.4_TS1-scwrl costs 0 real_cost = 211.689 karypis.srv.4_TS1 costs 0 real_cost = 211.689 karypis.srv.2_TS5-scwrl costs 0 real_cost = 64.0029 karypis.srv.2_TS5 costs 0 real_cost = 64.0029 karypis.srv.2_TS4-scwrl costs 0 real_cost = 2.47769 karypis.srv.2_TS4 costs 0 real_cost = 2.47769 karypis.srv.2_TS3-scwrl costs 0 real_cost = -25.1368 karypis.srv.2_TS3 costs 0 real_cost = -25.1368 karypis.srv.2_TS2-scwrl costs 0 real_cost = 5.61617 karypis.srv.2_TS2 costs 0 real_cost = 5.61617 karypis.srv.2_TS1-scwrl costs 0 real_cost = -43.4133 karypis.srv.2_TS1 costs 0 real_cost = -43.4133 gtg_AL2-scwrl costs 0 real_cost = 444.963 gtg_AL2 costs 0 real_cost = 466.378 gtg_AL1-scwrl costs 0 real_cost = 439.371 gtg_AL1 costs 0 real_cost = 453.467 forecast-s_AL5-scwrl costs 0 real_cost = 48.4189 forecast-s_AL5 costs 0 real_cost = 88.8653 forecast-s_AL4-scwrl costs 0 real_cost = 165.197 forecast-s_AL4 costs 0 real_cost = 241.049 forecast-s_AL3-scwrl costs 0 real_cost = 175.812 forecast-s_AL3 costs 0 real_cost = 238.193 forecast-s_AL2-scwrl costs 0 real_cost = 147.456 forecast-s_AL2 costs 0 real_cost = 169.117 forecast-s_AL1-scwrl costs 0 real_cost = 85.2347 forecast-s_AL1 costs 0 real_cost = 141.362 beautshotbase_TS1-scwrl costs 0 real_cost = 0.0651918 beautshotbase_TS1 costs 0 real_cost = 1.0328 beautshot_TS1-scwrl costs 0 real_cost = -40.4837 beautshot_TS1 costs 0 real_cost = -29.4434 Zhang-Server_TS5-scwrl costs 0 real_cost = -80.4555 Zhang-Server_TS5 costs 0 real_cost = -65.2625 Zhang-Server_TS4-scwrl costs 0 real_cost = -51.9549 Zhang-Server_TS4 costs 0 real_cost = -43.0088 Zhang-Server_TS3-scwrl costs 0 real_cost = -47.0749 Zhang-Server_TS3 costs 0 real_cost = -34.7148 Zhang-Server_TS2-scwrl costs 0 real_cost = -83.1783 Zhang-Server_TS2 costs 0 real_cost = -74.7593 Zhang-Server_TS1-scwrl costs 0 real_cost = -44.8709 Zhang-Server_TS1 costs 0 real_cost = -32.552 UNI-EID_sfst_AL5-scwrl costs 0 real_cost = 132.685 UNI-EID_sfst_AL5 costs 0 real_cost = 191.601 UNI-EID_sfst_AL4-scwrl costs 0 real_cost = 176.28 UNI-EID_sfst_AL4 costs 0 real_cost = 213.457 UNI-EID_sfst_AL3-scwrl costs 0 real_cost = 155.315 UNI-EID_sfst_AL3 costs 0 real_cost = 181.583 UNI-EID_sfst_AL2-scwrl costs 0 real_cost = 116.476 UNI-EID_sfst_AL2 costs 0 real_cost = 176.01 UNI-EID_sfst_AL1-scwrl costs 0 real_cost = 199.942 UNI-EID_sfst_AL1 costs 0 real_cost = 218.296 UNI-EID_expm_TS1-scwrl costs 0 real_cost = 172.335 UNI-EID_bnmx_TS5-scwrl costs 0 real_cost = 102.682 UNI-EID_bnmx_TS5 costs 0 real_cost = 156.732 UNI-EID_bnmx_TS4-scwrl costs 0 real_cost = 177.985 UNI-EID_bnmx_TS4 costs 0 real_cost = 220.373 UNI-EID_bnmx_TS3-scwrl costs 0 real_cost = 123.608 UNI-EID_bnmx_TS3 costs 0 real_cost = 177.367 UNI-EID_bnmx_TS2-scwrl costs 0 real_cost = 123.52 UNI-EID_bnmx_TS2 costs 0 real_cost = 181.371 UNI-EID_bnmx_TS1-scwrl costs 0 real_cost = 185.193 UNI-EID_bnmx_TS1 costs 0 real_cost = 206.416 SPARKS2_TS5-scwrl costs 0 real_cost = 220.925 SPARKS2_TS5 costs 0 real_cost = 219.471 SPARKS2_TS4-scwrl costs 0 real_cost = 52.9882 SPARKS2_TS4 costs 0 real_cost = 48.9659 SPARKS2_TS3-scwrl costs 0 real_cost = -20.6178 SPARKS2_TS3 costs 0 real_cost = -18.535 SPARKS2_TS2-scwrl costs 0 real_cost = -19.291 SPARKS2_TS2 costs 0 real_cost = -25.298 SPARKS2_TS1-scwrl costs 0 real_cost = -39.4369 SPARKS2_TS1 costs 0 real_cost = -40.4849 SP4_TS5-scwrl costs 0 real_cost = 95.0946 SP4_TS5 costs 0 real_cost = 101.678 SP4_TS4-scwrl costs 0 real_cost = 282.459 SP4_TS4 costs 0 real_cost = 280.027 SP4_TS3-scwrl costs 0 real_cost = 16.1064 SP4_TS3 costs 0 real_cost = 2.38702 SP4_TS2-scwrl costs 0 real_cost = -23.1023 SP4_TS2 costs 0 real_cost = -16.7833 SP4_TS1-scwrl costs 0 real_cost = -46.4126 SP4_TS1 costs 0 real_cost = -47.1537 SP3_TS5-scwrl costs 0 real_cost = -22.443 SP3_TS5 costs 0 real_cost = -21.4051 SP3_TS4-scwrl costs 0 real_cost = 38.0723 SP3_TS4 costs 0 real_cost = 43.0024 SP3_TS3-scwrl costs 0 real_cost = -5.69514 SP3_TS3 costs 0 real_cost = -2.99551 SP3_TS2-scwrl costs 0 real_cost = 11.0336 SP3_TS2 costs 0 real_cost = 21.485 SP3_TS1-scwrl costs 0 real_cost = -39.4369 SP3_TS1 costs 0 real_cost = -40.4849 SAM_T06_server_TS5-scwrl costs 0 real_cost = 205.913 SAM_T06_server_TS5 costs 0 real_cost = 170.285 SAM_T06_server_TS4-scwrl costs 0 real_cost = 10.6982 SAM_T06_server_TS4 costs 0 real_cost = 13.1278 SAM_T06_server_TS3-scwrl costs 0 real_cost = 144.234 SAM_T06_server_TS3 costs 0 real_cost = 104.345 SAM_T06_server_TS2-scwrl costs 0 real_cost = 142.936 SAM_T06_server_TS2 costs 0 real_cost = 136.243 SAM_T06_server_TS1-scwrl costs 0 real_cost = 75.1825 SAM_T06_server_TS1 costs 0 real_cost = 82.0374 SAM-T99_AL5-scwrl costs 0 real_cost = 51.534 SAM-T99_AL5 costs 0 real_cost = 102.84 SAM-T99_AL4-scwrl costs 0 real_cost = -17.5795 SAM-T99_AL4 costs 0 real_cost = 52.0625 SAM-T99_AL3-scwrl costs 0 real_cost = 35.5673 SAM-T99_AL3 costs 0 real_cost = 82.5496 SAM-T99_AL2-scwrl costs 0 real_cost = 152.108 SAM-T99_AL2 costs 0 real_cost = 200.103 SAM-T99_AL1-scwrl costs 0 real_cost = 27.2778 SAM-T99_AL1 costs 0 real_cost = 82.8054 SAM-T02_AL5-scwrl costs 0 real_cost = 142.085 SAM-T02_AL5 costs 0 real_cost = 178.547 SAM-T02_AL4-scwrl costs 0 real_cost = 99.8131 SAM-T02_AL4 costs 0 real_cost = 137.773 SAM-T02_AL3-scwrl costs 0 real_cost = 189.2 SAM-T02_AL3 costs 0 real_cost = 219.022 SAM-T02_AL2-scwrl costs 0 real_cost = 90.9606 SAM-T02_AL2 costs 0 real_cost = 138.415 SAM-T02_AL1-scwrl costs 0 real_cost = 158.701 SAM-T02_AL1 costs 0 real_cost = 176.49 ROKKY_TS5-scwrl costs 0 real_cost = 62.3706 ROKKY_TS5 costs 0 real_cost = 142.429 ROKKY_TS4-scwrl costs 0 real_cost = 60.5225 ROKKY_TS4 costs 0 real_cost = 146.973 ROKKY_TS3-scwrl costs 0 real_cost = 48.5974 ROKKY_TS3 costs 0 real_cost = 132.009 ROKKY_TS2-scwrl costs 0 real_cost = 33.8076 ROKKY_TS2 costs 0 real_cost = 113.962 ROKKY_TS1-scwrl costs 0 real_cost = 78.7513 ROKKY_TS1 costs 0 real_cost = 164.605 ROBETTA_TS5-scwrl costs 0 real_cost = 13.4437 ROBETTA_TS5 costs 0 real_cost = 23.4657 ROBETTA_TS4-scwrl costs 0 real_cost = -10.0633 ROBETTA_TS4 costs 0 real_cost = -9.49006 ROBETTA_TS3-scwrl costs 0 real_cost = 15.4395 ROBETTA_TS3 costs 0 real_cost = 15.3909 ROBETTA_TS2-scwrl costs 0 real_cost = 28.6262 ROBETTA_TS2 costs 0 real_cost = 34.2437 ROBETTA_TS1-scwrl costs 0 real_cost = 13.5076 ROBETTA_TS1 costs 0 real_cost = 15.1517 RAPTOR_TS5-scwrl costs 0 real_cost = 26.5986 RAPTOR_TS5 costs 0 real_cost = 23.7348 RAPTOR_TS4-scwrl costs 0 real_cost = -18.7104 RAPTOR_TS4 costs 0 real_cost = -2.85846 RAPTOR_TS3-scwrl costs 0 real_cost = 10.7306 RAPTOR_TS3 costs 0 real_cost = 3.4903 RAPTOR_TS2-scwrl costs 0 real_cost = -32.1002 RAPTOR_TS2 costs 0 real_cost = -22.379 RAPTOR_TS1-scwrl costs 0 real_cost = 6.74403 RAPTOR_TS1 costs 0 real_cost = -1.8303 RAPTORESS_TS5-scwrl costs 0 real_cost = 36.2096 RAPTORESS_TS5 costs 0 real_cost = 31.1237 RAPTORESS_TS4-scwrl costs 0 real_cost = 24.4233 RAPTORESS_TS4 costs 0 real_cost = 34.568 RAPTORESS_TS3-scwrl costs 0 real_cost = 34.0111 RAPTORESS_TS3 costs 0 real_cost = 27.6872 RAPTORESS_TS2-scwrl costs 0 real_cost = 10.6334 RAPTORESS_TS2 costs 0 real_cost = 15.6613 RAPTORESS_TS1-scwrl costs 0 real_cost = 1.10292 RAPTORESS_TS1 costs 0 real_cost = 14.8278 RAPTOR-ACE_TS5-scwrl costs 0 real_cost = -18.0537 RAPTOR-ACE_TS5 costs 0 real_cost = -6.37826 RAPTOR-ACE_TS4-scwrl costs 0 real_cost = -54.8003 RAPTOR-ACE_TS4 costs 0 real_cost = -52.1628 RAPTOR-ACE_TS3-scwrl costs 0 real_cost = -39.4369 RAPTOR-ACE_TS3 costs 0 real_cost = -40.4849 RAPTOR-ACE_TS2-scwrl costs 0 real_cost = -34.8791 RAPTOR-ACE_TS2 costs 0 real_cost = -30.29 RAPTOR-ACE_TS1-scwrl costs 0 real_cost = -22.443 RAPTOR-ACE_TS1 costs 0 real_cost = -21.4051 Pmodeller6_TS5-scwrl costs 0 real_cost = -10.0633 Pmodeller6_TS5 costs 0 real_cost = -9.49006 Pmodeller6_TS4-scwrl costs 0 real_cost = -22.8051 Pmodeller6_TS4 costs 0 real_cost = -24.9402 Pmodeller6_TS3-scwrl costs 0 real_cost = 13.5076 Pmodeller6_TS3 costs 0 real_cost = 15.1517 Pmodeller6_TS2-scwrl costs 0 real_cost = 13.4437 Pmodeller6_TS2 costs 0 real_cost = 23.4657 Pmodeller6_TS1-scwrl costs 0 real_cost = -54.9024 Pmodeller6_TS1 costs 0 real_cost = -56.7024 Phyre-2_TS5-scwrl costs 0 real_cost = 32.4808 Phyre-2_TS5 costs 0 real_cost = 26.8883 Phyre-2_TS4-scwrl costs 0 real_cost = 34.1395 Phyre-2_TS4 costs 0 real_cost = 36.968 Phyre-2_TS3-scwrl costs 0 real_cost = 16.7737 Phyre-2_TS3 costs 0 real_cost = 3.64638 Phyre-2_TS2-scwrl costs 0 real_cost = -14.1915 Phyre-2_TS2 costs 0 real_cost = -18.5071 Phyre-2_TS1-scwrl costs 0 real_cost = 34.1395 Phyre-2_TS1 costs 0 real_cost = 36.968 Phyre-1_TS1-scwrl costs 0 real_cost = 128.795 Phyre-1_TS1 costs 0 real_cost = 124.253 Pcons6_TS5-scwrl costs 0 real_cost = 4.19791 Pcons6_TS5 costs 0 real_cost = -0.202094 Pcons6_TS4-scwrl costs 0 real_cost = 110.514 Pcons6_TS4 costs 0 real_cost = 106.914 Pcons6_TS3-scwrl costs 0 real_cost = -55.4246 Pcons6_TS3 costs 0 real_cost = -57.0246 Pcons6_TS2-scwrl costs 0 real_cost = -34.3713 Pcons6_TS2 costs 0 real_cost = -37.5713 Pcons6_TS1-scwrl costs 0 real_cost = -38.5911 Pcons6_TS1 costs 0 real_cost = -40.5911 PROTINFO_TS5-scwrl costs 0 real_cost = -17.4881 PROTINFO_TS5 costs 0 real_cost = -19.7735 PROTINFO_TS4-scwrl costs 0 real_cost = 6.13751 PROTINFO_TS4 costs 0 real_cost = 7.31934 PROTINFO_TS3-scwrl costs 0 real_cost = -22.8057 PROTINFO_TS3 costs 0 real_cost = -14.805 PROTINFO_TS2-scwrl costs 0 real_cost = -21.4808 PROTINFO_TS2 costs 0 real_cost = -17.3758 PROTINFO_TS1-scwrl costs 0 real_cost = -0.668365 PROTINFO_TS1 costs 0 real_cost = 0.567186 PROTINFO-AB_TS5-scwrl costs 0 real_cost = -13.5592 PROTINFO-AB_TS5 costs 0 real_cost = -23.3593 PROTINFO-AB_TS4-scwrl costs 0 real_cost = -18.5018 PROTINFO-AB_TS4 costs 0 real_cost = -22.427 PROTINFO-AB_TS3-scwrl costs 0 real_cost = -16.8397 PROTINFO-AB_TS3 costs 0 real_cost = -24.4016 PROTINFO-AB_TS2-scwrl costs 0 real_cost = -14.614 PROTINFO-AB_TS2 costs 0 real_cost = -21.7747 PROTINFO-AB_TS1-scwrl costs 0 real_cost = -15.9671 PROTINFO-AB_TS1 costs 0 real_cost = -24.1986 POMYSL_TS5-scwrl costs 0 real_cost = 254.03 POMYSL_TS5 costs 0 real_cost = 261.393 POMYSL_TS4-scwrl costs 0 real_cost = 198.607 POMYSL_TS4 costs 0 real_cost = 226.267 POMYSL_TS3-scwrl costs 0 real_cost = 272.018 POMYSL_TS3 costs 0 real_cost = 269.004 POMYSL_TS2-scwrl costs 0 real_cost = 174.466 POMYSL_TS2 costs 0 real_cost = 196.679 POMYSL_TS1-scwrl costs 0 real_cost = 225.091 POMYSL_TS1 costs 0 real_cost = 236.907 NN_PUT_lab_TS1-scwrl costs 0 real_cost = -39.4369 NN_PUT_lab_TS1 costs 0 real_cost = -40.4849 MetaTasser_TS5-scwrl costs 0 real_cost = -34.0905 MetaTasser_TS5 costs 0 real_cost = -30.6939 MetaTasser_TS4-scwrl costs 0 real_cost = -18.4883 MetaTasser_TS4 costs 0 real_cost = -15.7032 MetaTasser_TS3-scwrl costs 0 real_cost = -44.3029 MetaTasser_TS3 costs 0 real_cost = -38.6767 MetaTasser_TS2-scwrl costs 0 real_cost = -18.6777 MetaTasser_TS2 costs 0 real_cost = -18.4922 MetaTasser_TS1-scwrl costs 0 real_cost = -40.2236 MetaTasser_TS1 costs 0 real_cost = -34.5219 Ma-OPUS-server_TS5-scwrl costs 0 real_cost = 271.575 Ma-OPUS-server_TS5 costs 0 real_cost = 275.651 Ma-OPUS-server_TS4-scwrl costs 0 real_cost = 98.0133 Ma-OPUS-server_TS4 costs 0 real_cost = 101.369 Ma-OPUS-server_TS3-scwrl costs 0 real_cost = 202.616 Ma-OPUS-server_TS3 costs 0 real_cost = 206.451 Ma-OPUS-server_TS2-scwrl costs 0 real_cost = 46.7784 Ma-OPUS-server_TS2 costs 0 real_cost = 64.5931 Ma-OPUS-server_TS1-scwrl costs 0 real_cost = -54.8309 Ma-OPUS-server_TS1 costs 0 real_cost = -53.8083 Ma-OPUS-server2_TS5-scwrl costs 0 real_cost = 271.575 Ma-OPUS-server2_TS5 costs 0 real_cost = 275.651 Ma-OPUS-server2_TS4-scwrl costs 0 real_cost = 106.081 Ma-OPUS-server2_TS4 costs 0 real_cost = 114.347 Ma-OPUS-server2_TS3-scwrl costs 0 real_cost = 202.616 Ma-OPUS-server2_TS3 costs 0 real_cost = 206.451 Ma-OPUS-server2_TS2-scwrl costs 0 real_cost = -44.5692 Ma-OPUS-server2_TS2 costs 0 real_cost = -35.0576 Ma-OPUS-server2_TS1-scwrl costs 0 real_cost = -34.7428 Ma-OPUS-server2_TS1 costs 0 real_cost = -27.5631 MIG_FROST_AL1-scwrl costs 0 real_cost = 220.332 MIG_FROST_AL1 costs 0 real_cost = 220.332 LOOPP_TS5 costs 0 real_cost = 211.515 LOOPP_TS4-scwrl costs 0 real_cost = 221.517 LOOPP_TS4 costs 0 real_cost = 214.299 LOOPP_TS3-scwrl costs 0 real_cost = 32.4276 LOOPP_TS3 costs 0 real_cost = 32.9802 LOOPP_TS2-scwrl costs 0 real_cost = 28.2884 LOOPP_TS2 costs 0 real_cost = 39.7471 LOOPP_TS1-scwrl costs 0 real_cost = 0.0435013 LOOPP_TS1 costs 0 real_cost = -4.73709 Huber-Torda-Server_TS5-scwrl costs 0 real_cost = 199.755 Huber-Torda-Server_TS5 costs 0 real_cost = 246.25 Huber-Torda-Server_TS4-scwrl costs 0 real_cost = 248.605 Huber-Torda-Server_TS4 costs 0 real_cost = 264.286 Huber-Torda-Server_TS3-scwrl costs 0 real_cost = 226.697 Huber-Torda-Server_TS3 costs 0 real_cost = 278.67 Huber-Torda-Server_TS2-scwrl costs 0 real_cost = 159.787 Huber-Torda-Server_TS2 costs 0 real_cost = 181.802 Huber-Torda-Server_TS1-scwrl costs 0 real_cost = 58.7731 Huber-Torda-Server_TS1 costs 0 real_cost = 94.9392 HHpred3_TS1-scwrl costs 0 real_cost = -22.1623 HHpred3_TS1 costs 0 real_cost = -20.1332 HHpred2_TS1-scwrl costs 0 real_cost = -22.1623 HHpred2_TS1 costs 0 real_cost = -20.1332 HHpred1_TS1-scwrl costs 0 real_cost = -40.0292 HHpred1_TS1 costs 0 real_cost = -33.337 GeneSilicoMetaServer_TS5-scwrl costs 0 real_cost = -35.7415 GeneSilicoMetaServer_TS5 costs 0 real_cost = -32.4271 GeneSilicoMetaServer_TS4-scwrl costs 0 real_cost = 107.864 GeneSilicoMetaServer_TS4 costs 0 real_cost = 112.862 GeneSilicoMetaServer_TS3-scwrl costs 0 real_cost = -10.4189 GeneSilicoMetaServer_TS3 costs 0 real_cost = -24.9695 GeneSilicoMetaServer_TS2-scwrl costs 0 real_cost = 12.2137 GeneSilicoMetaServer_TS2 costs 0 real_cost = 13.045 GeneSilicoMetaServer_TS1-scwrl costs 0 real_cost = -58.8686 GeneSilicoMetaServer_TS1 costs 0 real_cost = -57.0614 FUNCTION_TS5-scwrl costs 0 real_cost = 14.3473 FUNCTION_TS5 costs 0 real_cost = 25.2563 FUNCTION_TS4-scwrl costs 0 real_cost = 38.5951 FUNCTION_TS4 costs 0 real_cost = 41.2254 FUNCTION_TS3-scwrl costs 0 real_cost = 23.6366 FUNCTION_TS3 costs 0 real_cost = 33.1438 FUNCTION_TS2-scwrl costs 0 real_cost = 96.0368 FUNCTION_TS2 costs 0 real_cost = 99.2938 FUNCTION_TS1-scwrl costs 0 real_cost = -0.296538 FUNCTION_TS1 costs 0 real_cost = -4.2943 FUGUE_AL5-scwrl costs 0 real_cost = 273.078 FUGUE_AL5 costs 0 real_cost = 273.078 FUGUE_AL4-scwrl costs 0 real_cost = 231.067 FUGUE_AL4 costs 0 real_cost = 294.101 FUGUE_AL3-scwrl costs 0 real_cost = -37.4077 FUGUE_AL3 costs 0 real_cost = 35.4774 FUGUE_AL2-scwrl costs 0 real_cost = 184.976 FUGUE_AL2 costs 0 real_cost = 252.381 FUGUE_AL1-scwrl costs 0 real_cost = 226.61 FUGUE_AL1 costs 0 real_cost = 303.624 FUGMOD_TS5-scwrl costs 0 real_cost = 176.53 FUGMOD_TS5 costs 0 real_cost = 176.966 FUGMOD_TS4-scwrl costs 0 real_cost = 196.782 FUGMOD_TS4 costs 0 real_cost = 199.457 FUGMOD_TS3-scwrl costs 0 real_cost = -26.3545 FUGMOD_TS3 costs 0 real_cost = -14.0746 FUGMOD_TS2-scwrl costs 0 real_cost = 155.584 FUGMOD_TS2 costs 0 real_cost = 163.413 FUGMOD_TS1-scwrl costs 0 real_cost = 218.163 FUGMOD_TS1 costs 0 real_cost = 218.302 FPSOLVER-SERVER_TS5-scwrl costs 0 real_cost = 228.763 FPSOLVER-SERVER_TS5 costs 0 real_cost = 235.753 FPSOLVER-SERVER_TS4-scwrl costs 0 real_cost = 187.614 FPSOLVER-SERVER_TS4 costs 0 real_cost = 188.008 FPSOLVER-SERVER_TS3-scwrl costs 0 real_cost = 182.484 FPSOLVER-SERVER_TS3 costs 0 real_cost = 180.533 FPSOLVER-SERVER_TS2-scwrl costs 0 real_cost = 207.038 FPSOLVER-SERVER_TS2 costs 0 real_cost = 213.516 FPSOLVER-SERVER_TS1-scwrl costs 0 real_cost = 234.6 FPSOLVER-SERVER_TS1 costs 0 real_cost = 235.071 FORTE2_AL5-scwrl costs 0 real_cost = 278.241 FORTE2_AL5 costs 0 real_cost = 338.953 FORTE2_AL4-scwrl costs 0 real_cost = 85.135 FORTE2_AL4 costs 0 real_cost = 175.356 FORTE2_AL3-scwrl costs 0 real_cost = 47.4632 FORTE2_AL3 costs 0 real_cost = 99.26 FORTE2_AL2-scwrl costs 0 real_cost = 117.083 FORTE2_AL2 costs 0 real_cost = 165.345 FORTE2_AL1-scwrl costs 0 real_cost = 324.624 FORTE2_AL1 costs 0 real_cost = 402.018 FORTE1_AL5-scwrl costs 0 real_cost = 278.241 FORTE1_AL5 costs 0 real_cost = 338.953 FORTE1_AL4-scwrl costs 0 real_cost = 85.135 FORTE1_AL4 costs 0 real_cost = 175.356 FORTE1_AL3-scwrl costs 0 real_cost = 117.083 FORTE1_AL3 costs 0 real_cost = 165.345 FORTE1_AL2-scwrl costs 0 real_cost = 324.624 FORTE1_AL2 costs 0 real_cost = 402.018 FORTE1_AL1-scwrl costs 0 real_cost = 104.543 FORTE1_AL1 costs 0 real_cost = 154.691 FOLDpro_TS5-scwrl costs 0 real_cost = 12.3519 FOLDpro_TS5 costs 0 real_cost = 15.463 FOLDpro_TS4-scwrl costs 0 real_cost = 166.328 FOLDpro_TS4 costs 0 real_cost = 172.424 FOLDpro_TS3-scwrl costs 0 real_cost = 133.687 FOLDpro_TS3 costs 0 real_cost = 136.15 FOLDpro_TS2-scwrl costs 0 real_cost = -64.3091 FOLDpro_TS2 costs 0 real_cost = -55.326 FOLDpro_TS1-scwrl costs 0 real_cost = 0.713474 FOLDpro_TS1 costs 0 real_cost = 7.29928 FAMS_TS5-scwrl costs 0 real_cost = 8.92163 FAMS_TS5 costs 0 real_cost = 17.752 FAMS_TS4-scwrl costs 0 real_cost = -34.6199 FAMS_TS4 costs 0 real_cost = -25.0879 FAMS_TS3-scwrl costs 0 real_cost = -45.7937 FAMS_TS3 costs 0 real_cost = -40.2647 FAMS_TS2-scwrl costs 0 real_cost = -35.0689 FAMS_TS2 costs 0 real_cost = -41.2881 FAMS_TS1-scwrl costs 0 real_cost = 29.6408 FAMS_TS1 costs 0 real_cost = 43.4631 FAMSD_TS5-scwrl costs 0 real_cost = -1.64821 FAMSD_TS5 costs 0 real_cost = -7.02798 FAMSD_TS4-scwrl costs 0 real_cost = 66.6528 FAMSD_TS4 costs 0 real_cost = 61.7681 FAMSD_TS3-scwrl costs 0 real_cost = 8.92163 FAMSD_TS3 costs 0 real_cost = 17.752 FAMSD_TS2-scwrl costs 0 real_cost = 54.1686 FAMSD_TS2 costs 0 real_cost = 59.2443 FAMSD_TS1-scwrl costs 0 real_cost = 6.27294 FAMSD_TS1 costs 0 real_cost = 22.9723 Distill_TS5-scwrl costs 0 real_cost = 309.104 Distill_TS4-scwrl costs 0 real_cost = 315.566 Distill_TS3-scwrl costs 0 real_cost = 314.921 Distill_TS2-scwrl costs 0 real_cost = 314.987 Distill_TS1-scwrl costs 0 real_cost = 316.174 CaspIta-FOX_TS5-scwrl costs 0 real_cost = 111.017 CaspIta-FOX_TS5 costs 0 real_cost = 108.606 CaspIta-FOX_TS4-scwrl costs 0 real_cost = 4.35083 CaspIta-FOX_TS4 costs 0 real_cost = -0.265475 CaspIta-FOX_TS3-scwrl costs 0 real_cost = -35.627 CaspIta-FOX_TS3 costs 0 real_cost = -38.1967 CaspIta-FOX_TS2-scwrl costs 0 real_cost = 17.8055 CaspIta-FOX_TS2 costs 0 real_cost = 11.3876 CaspIta-FOX_TS1-scwrl costs 0 real_cost = 55.4187 CaspIta-FOX_TS1 costs 0 real_cost = 44.9844 CIRCLE_TS5-scwrl costs 0 real_cost = 54.1686 CIRCLE_TS5 costs 0 real_cost = 59.2443 CIRCLE_TS4-scwrl costs 0 real_cost = -18.747 CIRCLE_TS4 costs 0 real_cost = -16.4005 CIRCLE_TS3-scwrl costs 0 real_cost = -34.6199 CIRCLE_TS3 costs 0 real_cost = -25.0879 CIRCLE_TS2-scwrl costs 0 real_cost = -45.7937 CIRCLE_TS2 costs 0 real_cost = -40.2647 CIRCLE_TS1-scwrl costs 0 real_cost = -35.0689 CIRCLE_TS1 costs 0 real_cost = -41.2881 Bilab-ENABLE_TS5-scwrl costs 0 real_cost = -42.1086 Bilab-ENABLE_TS5 costs 0 real_cost = -42.1086 Bilab-ENABLE_TS4-scwrl costs 0 real_cost = -42.1086 Bilab-ENABLE_TS4 costs 0 real_cost = -42.1086 Bilab-ENABLE_TS3-scwrl costs 0 real_cost = -41.3949 Bilab-ENABLE_TS3 costs 0 real_cost = -41.3949 Bilab-ENABLE_TS2-scwrl costs 0 real_cost = 156.621 Bilab-ENABLE_TS2 costs 0 real_cost = 158.855 Bilab-ENABLE_TS1-scwrl costs 0 real_cost = 182.15 Bilab-ENABLE_TS1 costs 0 real_cost = 182.15 BayesHH_TS1-scwrl costs 0 real_cost = -22.1623 BayesHH_TS1 costs 0 real_cost = -20.1332 ABIpro_TS5-scwrl costs 0 real_cost = 135.667 ABIpro_TS5 costs 0 real_cost = 135.667 ABIpro_TS4-scwrl costs 0 real_cost = 181.885 ABIpro_TS4 costs 0 real_cost = 183.7 ABIpro_TS3-scwrl costs 0 real_cost = 123.288 ABIpro_TS3 costs 0 real_cost = 123.288 ABIpro_TS2-scwrl costs 0 real_cost = 126.875 ABIpro_TS2 costs 0 real_cost = 126.984 ABIpro_TS1-scwrl costs 0 real_cost = 142.663 ABIpro_TS1 costs 0 real_cost = 141.402 3Dpro_TS5-scwrl costs 0 real_cost = 142.663 3Dpro_TS5 costs 0 real_cost = 141.402 3Dpro_TS4-scwrl costs 0 real_cost = 143.523 3Dpro_TS4 costs 0 real_cost = 140.246 3Dpro_TS3-scwrl costs 0 real_cost = 71.9768 3Dpro_TS3 costs 0 real_cost = 88.0245 3Dpro_TS2-scwrl costs 0 real_cost = 142.732 3Dpro_TS2 costs 0 real_cost = 148.496 3Dpro_TS1-scwrl costs 0 real_cost = -4.23557 3Dpro_TS1 costs 0 real_cost = -4.04952 3D-JIGSAW_TS5-scwrl costs 0 real_cost = 75.7379 3D-JIGSAW_TS5 costs 0 real_cost = 82.2044 3D-JIGSAW_TS4-scwrl costs 0 real_cost = 236.372 3D-JIGSAW_TS4 costs 0 real_cost = 238.256 3D-JIGSAW_TS3-scwrl costs 0 real_cost = 81.7239 3D-JIGSAW_TS3 costs 0 real_cost = 92.0675 3D-JIGSAW_TS2-scwrl costs 0 real_cost = 113.045 3D-JIGSAW_TS2 costs 0 real_cost = 113.77 3D-JIGSAW_TS1-scwrl costs 0 real_cost = 115.13 3D-JIGSAW_TS1 costs 0 real_cost = 115.084 3D-JIGSAW_RECOM_TS5-scwrl costs 0 real_cost = 46.3291 3D-JIGSAW_RECOM_TS5 costs 0 real_cost = 44.4538 3D-JIGSAW_RECOM_TS4-scwrl costs 0 real_cost = 91.0755 3D-JIGSAW_RECOM_TS4 costs 0 real_cost = 89.754 3D-JIGSAW_RECOM_TS3-scwrl costs 0 real_cost = 21.5669 3D-JIGSAW_RECOM_TS3 costs 0 real_cost = 21.0082 3D-JIGSAW_RECOM_TS2-scwrl costs 0 real_cost = 22.9864 3D-JIGSAW_RECOM_TS2 costs 0 real_cost = 20.5678 3D-JIGSAW_RECOM_TS1-scwrl costs 0 real_cost = 82.6848 3D-JIGSAW_RECOM_TS1 costs 0 real_cost = 85.32 3D-JIGSAW_POPULUS_TS5-scwrl costs 0 real_cost = 115.585 3D-JIGSAW_POPULUS_TS5 costs 0 real_cost = 113.585 3D-JIGSAW_POPULUS_TS4-scwrl costs 0 real_cost = 37.4847 3D-JIGSAW_POPULUS_TS4 costs 0 real_cost = 35.4847 3D-JIGSAW_POPULUS_TS3-scwrl costs 0 real_cost = 36.4777 3D-JIGSAW_POPULUS_TS3 costs 0 real_cost = 34.4777 3D-JIGSAW_POPULUS_TS2-scwrl costs 0 real_cost = 83.695 3D-JIGSAW_POPULUS_TS2 costs 0 real_cost = 81.695 3D-JIGSAW_POPULUS_TS1-scwrl costs 0 real_cost = 36.6736 3D-JIGSAW_POPULUS_TS1 costs 0 real_cost = 34.6736 dimer//dimer3-1tbxA-dimer6 costs 0 real_cost = 53.0326 dimer//dimer2-1tbxA-dimer6 costs 0 real_cost = 53.0199 dimer//dimer1-1tbxA-dimer6 costs 0 real_cost = 53.0218 dimer//dimer-1ub9A-dimer11 costs 0 real_cost = 57.427 dimer//dimer-1tbxA-try1-opt2 costs 0 real_cost = 7.58432 dimer//dimer-1tbxA-try1-opt2-proteinshop costs 0 real_cost = 48.1025 dimer//try9-opt2.unpack costs 0 real_cost = 58.6523 dimer//try9-opt2.unpack.gromacs0.repack-nonPC costs 0 real_cost = 50.1646 dimer//try9-opt2.unpack.gromacs0 costs 0 real_cost = 60.188 dimer//try9-opt2.repack-nonPC costs 0 real_cost = 52.9797 dimer//try9-opt2 costs 0 real_cost = 58.6523 dimer//try9-opt2.gromacs0 costs 0 real_cost = 59.2138 dimer//try9-opt1 costs 0 real_cost = 58.4411 dimer//try9-opt1-scwrl costs 0 real_cost = 55.1942 dimer//try8-opt2.unpack costs 0 real_cost = 54.7586 dimer//try8-opt2.unpack.gromacs0.repack-nonPC costs 0 real_cost = 51.7316 dimer//try8-opt2.unpack.gromacs0 costs 0 real_cost = 54.7006 dimer//try8-opt2.repack-nonPC costs 0 real_cost = 53.0312 dimer//try8-opt2 costs 0 real_cost = 54.7586 dimer//try8-opt2.gromacs0 costs 0 real_cost = 55.4458 dimer//try8-opt1 costs 0 real_cost = 53.7323 dimer//try8-opt1-scwrl costs 0 real_cost = 51.8873 dimer//try7-opt2.unpack costs 0 real_cost = 57.0655 dimer//try7-opt2.unpack.gromacs0.repack-nonPC costs 0 real_cost = 52.8053 dimer//try7-opt2.unpack.gromacs0 costs 0 real_cost = 55.0259 dimer//try7-opt2.repack-nonPC costs 0 real_cost = 55.565 dimer//try7-opt2 costs 0 real_cost = 57.0655 dimer//try7-opt2.gromacs0 costs 0 real_cost = 63.2387 dimer//try7-opt1 costs 0 real_cost = 55.321 dimer//try7-opt1-scwrl costs 0 real_cost = 52.1663 dimer//try6-opt2.unpack costs 0 real_cost = 53.0205 dimer//try6-opt2.unpack.gromacs0.repack-nonPC costs 0 real_cost = 49.3705 dimer//try6-opt2.unpack.gromacs0 costs 0 real_cost = 51.2255 dimer//try6-opt2.repack-nonPC costs 0 real_cost = 51.9131 dimer//try6-opt2 costs 0 real_cost = 53.0205 dimer//try6-opt2.gromacs0 costs 0 real_cost = 52.5725 dimer//try6-opt1 costs 0 real_cost = 53.9945 dimer//try6-opt1-scwrl costs 0 real_cost = 52.9609 dimer//try5-opt2.unpack costs 0 real_cost = 44.0341 dimer//try5-opt2.unpack.gromacs0.repack-nonPC costs 0 real_cost = 44.9131 dimer//try5-opt2.unpack.gromacs0 costs 0 real_cost = 48.2115 dimer//try5-opt2.repack-nonPC costs 0 real_cost = 46.5371 dimer//try5-opt2 costs 0 real_cost = 44.0341 dimer//try5-opt2.gromacs0 costs 0 real_cost = 48.0559 dimer//try5-opt1 costs 0 real_cost = 43.1647 dimer//try5-opt1-scwrl costs 0 real_cost = 42.966 dimer//try4-opt2.unpack costs 0 real_cost = 52.4119 dimer//try4-opt2.unpack.gromacs0.repack-nonPC costs 0 real_cost = 48.6847 dimer//try4-opt2.unpack.gromacs0 costs 0 real_cost = 48.8594 dimer//try4-opt2.repack-nonPC costs 0 real_cost = 52.9819 dimer//try4-opt2 costs 0 real_cost = 52.4119 dimer//try4-opt2.gromacs0 costs 0 real_cost = 50.6412 dimer//try4-opt1 costs 0 real_cost = 54.9366 dimer//try4-opt1-scwrl costs 0 real_cost = 55.2112 dimer//try3-opt2.unpack costs 0 real_cost = 31.7927 dimer//try3-opt2.unpack.gromacs0.repack-nonPC costs 0 real_cost = 28.3503 dimer//try3-opt2.unpack.gromacs0 costs 0 real_cost = 27.0797 dimer//try3-opt2.repack-nonPC costs 0 real_cost = 31.9109 dimer//try3-opt2 costs 0 real_cost = 31.7927 dimer//try3-opt2.gromacs0 costs 0 real_cost = 26.4919 dimer//try3-opt1 costs 0 real_cost = 32.1074 dimer//try3-opt1-scwrl costs 0 real_cost = 33.667 dimer//try2-opt2.unpack costs 0 real_cost = 108.489 dimer//try2-opt2.unpack.gromacs0.repack-nonPC costs 0 real_cost = 108.587 dimer//try2-opt2.unpack.gromacs0 costs 0 real_cost = 105.561 dimer//try2-opt2.repack-nonPC costs 0 real_cost = 107.818 dimer//try2-opt2 costs 0 real_cost = 108.489 dimer//try2-opt2.gromacs0 costs 0 real_cost = 106.932 dimer//try2-opt1 costs 0 real_cost = 111.414 dimer//try2-opt1-scwrl costs 0 real_cost = 113.379 dimer//try15-opt2.unpack costs 0 real_cost = 55.1911 dimer//try15-opt2.unpack.gromacs0.repack-nonPC costs 0 real_cost = 51.5866 dimer//try15-opt2.unpack.gromacs0 costs 0 real_cost = 54.3568 dimer//try15-opt2.repack-nonPC costs 0 real_cost = 53.3489 dimer//try15-opt2 costs 0 real_cost = 55.1911 dimer//try15-opt1 costs 0 real_cost = 53.0462 dimer//try15-opt1-scwrl costs 0 real_cost = 53.5053 dimer//try14-opt2.unpack costs 0 real_cost = 58.6469 dimer//try14-opt2.unpack.gromacs0.repack-nonPC costs 0 real_cost = 55.1739 dimer//try14-opt2.unpack.gromacs0 costs 0 real_cost = 57.9452 dimer//try14-opt2.repack-nonPC costs 0 real_cost = 53.955 dimer//try14-opt2 costs 0 real_cost = 58.6469 dimer//try14-opt2.gromacs0 costs 0 real_cost = 60.3775 dimer//try14-opt1 costs 0 real_cost = 57.3116 dimer//try14-opt1-scwrl costs 0 real_cost = 54.5154 dimer//try13-opt2.unpack costs 0 real_cost = 47.2557 dimer//try13-opt2.unpack.gromacs0.repack-nonPC costs 0 real_cost = 42.6646 dimer//try13-opt2.unpack.gromacs0 costs 0 real_cost = 45.0519 dimer//try13-opt2.repack-nonPC costs 0 real_cost = 43.4262 dimer//try13-opt2 costs 0 real_cost = 47.2557 dimer//try13-opt2.gromacs0 costs 0 real_cost = 46.7651 dimer//try13-opt1 costs 0 real_cost = 48.4837 dimer//try13-opt1-scwrl costs 0 real_cost = 45.2124 dimer//try12-opt2.unpack costs 0 real_cost = 45.7999 dimer//try12-opt2.unpack.gromacs0.repack-nonPC costs 0 real_cost = 44.7791 dimer//try12-opt2.unpack.gromacs0 costs 0 real_cost = 45.8129 dimer//try12-opt2.repack-nonPC costs 0 real_cost = 42.6001 dimer//try12-opt2 costs 0 real_cost = 45.7999 dimer//try12-opt2.gromacs0 costs 0 real_cost = 48.5388 dimer//try12-opt1 costs 0 real_cost = 47.6413 dimer//try12-opt1-scwrl costs 0 real_cost = 45.6246 dimer//try11-opt2.unpack costs 0 real_cost = 57.4083 dimer//try11-opt2.unpack.gromacs0.repack-nonPC costs 0 real_cost = 50.9459 dimer//try11-opt2.unpack.gromacs0 costs 0 real_cost = 56.8379 dimer//try11-opt2.repack-nonPC costs 0 real_cost = 51.0707 dimer//try11-opt2 costs 0 real_cost = 57.4083 dimer//try11-opt2.gromacs0 costs 0 real_cost = 57.8779 dimer//try11-opt1 costs 0 real_cost = 58.3026 dimer//try11-opt1-scwrl costs 0 real_cost = 52.6365 dimer//try10-opt2.unpack costs 0 real_cost = 58.8015 dimer//try10-opt2.unpack.gromacs0.repack-nonPC costs 0 real_cost = 52.397 dimer//try10-opt2.unpack.gromacs0 costs 0 real_cost = 62.5407 dimer//try10-opt2.repack-nonPC costs 0 real_cost = 50.9278 dimer//try10-opt2 costs 0 real_cost = 58.8015 dimer//try10-opt2.gromacs0 costs 0 real_cost = 63.8054 dimer//try10-opt1 costs 0 real_cost = 57.4451 dimer//try10-opt1-scwrl costs 0 real_cost = 51.4263 dimer//try1-opt2.unpack costs 0 real_cost = 101.712 dimer//try1-opt2.unpack.gromacs0.repack-nonPC costs 0 real_cost = 104.282 dimer//try1-opt2.unpack.gromacs0 costs 0 real_cost = 103.975 dimer//try1-opt2.repack-nonPC costs 0 real_cost = 104.425 dimer//try1-opt2 costs 0 real_cost = 101.712 dimer//try1-opt2.gromacs0 costs 0 real_cost = 104.879 dimer//try1-opt1 costs 0 real_cost = 110.099 dimer//try1-opt1-scwrl costs 0 real_cost = 104.712 T0327.try4-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 61.4282 T0327.try4-opt2.pdb.gz costs 0 real_cost = 65.0254 T0327.try4-opt2.gromacs0.pdb.gz costs 0 real_cost = 65.3393 T0327.try4-opt1.pdb.gz costs 0 real_cost = 59.4491 T0327.try4-opt1-scwrl.pdb.gz costs 0 real_cost = 60.1191 T0327.try3-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 108.137 T0327.try3-opt2.pdb.gz costs 0 real_cost = 105.781 T0327.try3-opt2.gromacs0.pdb.gz costs 0 real_cost = 103.997 T0327.try3-opt1.pdb.gz costs 0 real_cost = 105.442 T0327.try3-opt1-scwrl.pdb.gz costs 0 real_cost = 103.319 T0327.try2-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 7.25882 T0327.try2-opt2.pdb.gz costs 0 real_cost = 11.7567 T0327.try2-opt2.gromacs0.pdb.gz costs 0 real_cost = 12.8434 T0327.try2-opt1.pdb.gz costs 0 real_cost = 11.884 T0327.try2-opt1-scwrl.pdb.gz costs 0 real_cost = 11.7898 T0327.try1-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 10.6616 T0327.try1-opt2.pdb.gz costs 0 real_cost = 7.60813 T0327.try1-opt2.gromacs0.pdb.gz costs 0 real_cost = 6.86175 T0327.try1-opt2-proteinshop.pdb.gz costs 0 real_cost = 48.4317 T0327.try1-opt2-proteinshop-2.pdb.gz costs 0 real_cost = 48.4317 T0327.try1-opt1.pdb.gz costs 0 real_cost = 8.67838 T0327.try1-opt1-scwrl.pdb.gz costs 0 real_cost = 9.11184 ../model5.ts-submitted costs 0 real_cost = 24.1601 ../model4.ts-submitted costs 0 real_cost = 21.498 ../model3.ts-submitted costs 0 real_cost = 65.0146 ../model2.ts-submitted costs 0 real_cost = 47.267 ../model1.ts-submitted costs 0 real_cost = 58.6738 align5 costs 0 real_cost = 87.8309 align4 costs 0 real_cost = 15.1411 align3 costs 0 real_cost = 37.3377 align2 costs 0 real_cost = 20.9858 align1 costs 0 real_cost = 25.4929 T0327.try1-opt2.pdb costs 0 real_cost = 7.60816 model5-scwrl costs 0 real_cost = 37.5824 model5.ts-submitted costs 0 real_cost = 24.1601 model4-scwrl costs 0 real_cost = 40.0748 model4.ts-submitted costs 0 real_cost = 21.498 model3-scwrl costs 0 real_cost = 63.0155 model3.ts-submitted costs 0 real_cost = 65.0146 model2-scwrl costs 0 real_cost = 45.8789 model2.ts-submitted costs 0 real_cost = 47.267 model1-scwrl costs 0 real_cost = 56.308 model1.ts-submitted costs 0 real_cost = 58.6738 2hgcA costs 0 real_cost = -851 # command:CPU_time= 157.252 sec, elapsed time= 352.07 sec) # command:rm -f sort.tmp /projects/compbio/bin/sorttbl real_cost < decoys/evaluate.rdb > sort.tmp mv -f sort.tmp decoys/evaluate.rdb mv -f decoys/evaluate.pretty decoys/evaluate.pretty.old /projects/compbio/experiments/protein-predict/casp7/scripts/prettyscore -terse -targpfx -decpoint < decoys/evaluate.rdb > decoys/evaluate.pretty rm -f decoys/evaluate_1.rdb sed -e s/XXX0000/T0327/ -e s/START_COL/1/ \ -e s/REAL_PDB/2hgcA/ \ -e s/_domain/_1/ \ -e s/read-pdb/read-pdb+servers/ \ -e 's/ReadConformPDBids/# ReadConformPDBids/' \ -e 's/# ReadConformPDB /ReadConformPDB /' \ -e 's/include COSTFCN.costfcn//' \ -e s/.COSTFCN// \ < /projects/compbio/experiments/protein-predict/casp7/starter-directory/evaluate.under \ | nice -2 /projects/compbio/programs/undertaker/undertaker # command:# Seed set to 1174837627 # command:# Prefix for input files set to /projects/compbio/experiments/undertaker/atoms-inputs/ # command:# reading monomeric-50pc.atoms # trans (non-proline) backbone unit: # CA= -2.2088 1.0126 -0.0031 # O= -0.1499 2.2440 0.0017 # C= -0.6889 1.1368 0.0000 # N+1= 0.0000 0.0000 0.0000 # CA+1= 1.4581 0.0000 0.0000 # cis backbone unit: # CA= -0.1462 2.4515 0.0018 # O= -2.0272 0.9713 0.0022 # C= -0.8006 1.0755 0.0000 # N+1= 0.0000 0.0000 0.0000 # CA+1= 1.4659 0.0000 0.0000 # trans backbone unit before proline: # CA= -2.2099 1.0634 -0.0014 # O= -0.1233 2.2459 0.0075 # C= -0.6871 1.1518 0.0000 # N+1= 0.0000 0.0000 0.0000 # CA+1= 1.4660 0.0000 0.0000 # After reading monomeric-50pc.atoms have 448 chains in training database # Count of chains,residues,atoms: 448,112605,876684 # 109826 residues have no bad marker # 665 residues lack atoms needed to compute omega # 322 residues have cis peptide # number of each bad type: # NON_STANDARD_RESIDUE 6 # HAS_OXT 325 # TOO_MANY_ATOMS 1 # TOO_FEW_ATOMS 523 # HAS_UNKNOWN_ATOMS 2 # HAS_DUPLICATE_ATOMS 0 # CHAIN_BREAK_BEFORE 208 # NON_PLANAR_PEPTIDE 143 # BAD_PEPTIDE 1959 # Note: may sum to more than number of residues, # because one residue may have multiple problems # command:# Reading rotamer library from dunbrack-1332.rot # command:# Prefix for input files set to /projects/compbio/experiments/undertaker/spots/ # command:# ReadAtomType exp-pdb.types Read AtomType exp-pdb with 49 types. # command:# ReadClashTable exp-pdb-2191-2symm.clash # Read ClashTable exp-pdb-2191-2symm checking bonds symmetric at MaxSep 2 # command:# command:CPU_time= 6.08207 sec, elapsed time= 6.1187 sec) # command:# Reading spots from monomeric-50pc-dry-5.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-dry-5.hist # created burial cost function dry5 with radius 5 with spots at monomeric-50pc-dry-5.spot # command:# Reading spots from monomeric-50pc-wet-6.5.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-wet-6.5.hist # created burial cost function wet6.5 with radius 6.5 with spots at monomeric-50pc-wet-6.5.spot # command:# Reading spots from monomeric-50pc-dry-6.5.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-dry-6.5.hist # created burial cost function dry6.5 with radius 6.5 with spots at monomeric-50pc-dry-6.5.spot # command:# Reading spots from monomeric-50pc-generic-6.5.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-generic-6.5.hist # created burial cost function gen6.5 with radius 6.5 with spots at monomeric-50pc-generic-6.5.spot # command:# Reading spots from near-backbone-center.spot # reading histogram from smoothed-near-backbone-2spot.hist # Reading spots from near-backbone-count.spot # created burial cost function near_backbone with radius 9.65 with spots at near-backbone-center.spot counting only near-backbone-count.spot # command:# Reading spots from way-back-center.spot # reading histogram from smoothed-way-back-2spot.hist # Reading spots from way-back-count.spot # created burial cost function way_back with radius 8.9 with spots at way-back-center.spot counting only way-back-count.spot # command:# Reading spots from monomeric-50pc-dry-8.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-dry-8.hist # created burial cost function dry8 with radius 8 with spots at monomeric-50pc-dry-8.spot # command:# Reading spots from monomeric-50pc-dry-10.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-dry-10.hist # created burial cost function dry10 with radius 10 with spots at monomeric-50pc-dry-10.spot # command:# Reading spots from monomeric-50pc-dry-12.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-dry-12.hist # created burial cost function dry12 with radius 12 with spots at monomeric-50pc-dry-12.spot # command:# reading histogram from dunbrack-2191-alpha.hist # created alpha cost function alpha with offset 0 and 360 bins # command:# reading histogram from dunbrack-2191-alpha-1.hist # created alpha cost function alpha_prev with offset -1 and 360 bins # command:# Prefix for input files set to /projects/compbio/lib/alphabet/ # command:# Read 3 alphabets from alpha.alphabet # command:CPU_time= 6.16406 sec, elapsed time= 6.21542 sec) # command:# Prefix for input files set to # command:# Making conformation for sequence T0327 numbered 1 through 102 Created new target T0327 from T0327.a2m # command:# command:# No conformations to remove in PopConform # command:# cleared Id set # command:# command:# ReadConformPDB reading from PDB file T0327_1.real.pdb looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # command:# Saving current conformation as real # command:# Prefix for output files set to decoys/ # command:# SetRealCost created real_cost = # ( 50 * real_hbond + 50 * real_hbond_u + 50 * decoy_hbond + 50 * decoy_hbond_u + 10 * real_NO_hbond + 10 * real_NO_hbond_u + 10 * decoy_NO_hbond + 10 * decoy_NO_hbond_u + 10 * knot + 200 * clens + 0 * rmsd + 35 * log_rmsd + 0 * rmsd_ca + 30 * log_rmsd_ca + 1 * GDT + 1 * smooth_GDT + 0.2 * missing_atoms ) # command:# SetCost created cost = # ) # command:CPU_time= 8.5677 sec, elapsed time= 8.633 sec) # command:# Prefix for input files set to # command:# ReadConformPDB reading from PDB file model1.ts-submitted looking for model 1 # choosing archetypes in rotamer library # Found a chain break before 56 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -58.9041 # GDT_score(maxd=8,maxw=2.9)= -58.4207 # GDT_score(maxd=8,maxw=3.2)= -55.4896 # GDT_score(maxd=8,maxw=3.5)= -52.7468 # GDT_score(maxd=10,maxw=3.8)= -56.553 # GDT_score(maxd=10,maxw=4)= -54.7721 # GDT_score(maxd=10,maxw=4.2)= -53.0523 # GDT_score(maxd=12,maxw=4.3)= -57.2445 # GDT_score(maxd=12,maxw=4.5)= -55.4958 # GDT_score(maxd=12,maxw=4.7)= -53.7489 # GDT_score(maxd=14,maxw=5.2)= -53.5396 # GDT_score(maxd=14,maxw=5.5)= -51.2917 # command:# Prefix for output files set to # command:superimposing iter= 0 total_weight= 8.8700000e+02 rmsd (weighted)= 5.4819309e+00 (unweighted)= 2.3842934e+01 superimposing iter= 1 total_weight= 2.2698312e+03 rmsd (weighted)= 2.5384598e+00 (unweighted)= 2.3567372e+01 superimposing iter= 2 total_weight= 1.1110819e+03 rmsd (weighted)= 1.8041057e+00 (unweighted)= 2.3275579e+01 superimposing iter= 3 total_weight= 8.1780372e+02 rmsd (weighted)= 1.5083810e+00 (unweighted)= 2.3061315e+01 superimposing iter= 4 total_weight= 7.5553034e+02 rmsd (weighted)= 1.3167848e+00 (unweighted)= 2.2921891e+01 superimposing iter= 5 total_weight= 6.9939956e+02 rmsd (weighted)= 1.1977285e+00 (unweighted)= 2.2841936e+01 # command:# Prefix for output files set to decoys/ # command:# request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_568256224.pdb -s /var/tmp/to_scwrl_568256224.seq -o /var/tmp/from_scwrl_568256224.pdb > /var/tmp/scwrl_568256224.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_568256224.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 56 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -59.9315 # GDT_score(maxd=8,maxw=2.9)= -59.4789 # GDT_score(maxd=8,maxw=3.2)= -56.4286 # GDT_score(maxd=8,maxw=3.5)= -53.6466 # GDT_score(maxd=10,maxw=3.8)= -57.4959 # GDT_score(maxd=10,maxw=4)= -55.6839 # GDT_score(maxd=10,maxw=4.2)= -53.9297 # GDT_score(maxd=12,maxw=4.3)= -58.0701 # GDT_score(maxd=12,maxw=4.5)= -56.293 # GDT_score(maxd=12,maxw=4.7)= -54.5186 # GDT_score(maxd=14,maxw=5.2)= -54.229 # GDT_score(maxd=14,maxw=5.5)= -51.9436 # command:# request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_194812106.pdb -s /var/tmp/to_scwrl_194812106.seq -o /var/tmp/from_scwrl_194812106.pdb > /var/tmp/scwrl_194812106.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_194812106.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 78 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -54.7945 # GDT_score(maxd=8,maxw=2.9)= -54.3058 # GDT_score(maxd=8,maxw=3.2)= -51.5751 # GDT_score(maxd=8,maxw=3.5)= -48.9896 # GDT_score(maxd=10,maxw=3.8)= -53.3375 # GDT_score(maxd=10,maxw=4)= -51.5932 # GDT_score(maxd=10,maxw=4.2)= -49.9188 # GDT_score(maxd=12,maxw=4.3)= -54.2639 # GDT_score(maxd=12,maxw=4.5)= -52.5599 # GDT_score(maxd=12,maxw=4.7)= -50.9254 # GDT_score(maxd=14,maxw=5.2)= -50.9637 # GDT_score(maxd=14,maxw=5.5)= -48.8563 # command:# request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1491962060.pdb -s /var/tmp/to_scwrl_1491962060.seq -o /var/tmp/from_scwrl_1491962060.pdb > /var/tmp/scwrl_1491962060.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1491962060.pdb # conformation set from SCWRL output # command:# naming current conformation model3-scwrl # command:# ReadConformPDB reading from PDB file model4.ts-submitted looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # command:# fraction of real conformation used = 0.794521 # GDT_score = -59.589 # GDT_score(maxd=8,maxw=2.9)= -60.3269 # GDT_score(maxd=8,maxw=3.2)= -58.3901 # GDT_score(maxd=8,maxw=3.5)= -56.4317 # GDT_score(maxd=10,maxw=3.8)= -58.4874 # GDT_score(maxd=10,maxw=4)= -57.2102 # GDT_score(maxd=10,maxw=4.2)= -55.7795 # GDT_score(maxd=12,maxw=4.3)= -58.3293 # GDT_score(maxd=12,maxw=4.5)= -56.8983 # GDT_score(maxd=12,maxw=4.7)= -55.4681 # GDT_score(maxd=14,maxw=5.2)= -54.6961 # GDT_score(maxd=14,maxw=5.5)= -52.6491 # command:# request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1121465540.pdb -s /var/tmp/to_scwrl_1121465540.seq -o /var/tmp/from_scwrl_1121465540.pdb > /var/tmp/scwrl_1121465540.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1121465540.pdb # conformation set from SCWRL output # command:# naming current conformation model4-scwrl # command:# ReadConformPDB reading from PDB file model5.ts-submitted looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # command:# fraction of real conformation used = 0.835616 # GDT_score = -60.274 # GDT_score(maxd=8,maxw=2.9)= -63.0964 # GDT_score(maxd=8,maxw=3.2)= -59.953 # GDT_score(maxd=8,maxw=3.5)= -56.9032 # GDT_score(maxd=10,maxw=3.8)= -59.3099 # GDT_score(maxd=10,maxw=4)= -57.3563 # GDT_score(maxd=10,maxw=4.2)= -55.5382 # GDT_score(maxd=12,maxw=4.3)= -58.6311 # GDT_score(maxd=12,maxw=4.5)= -56.8643 # GDT_score(maxd=12,maxw=4.7)= -55.1198 # GDT_score(maxd=14,maxw=5.2)= -54.1302 # GDT_score(maxd=14,maxw=5.5)= -51.8481 # command:# request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_2073245469.pdb -s /var/tmp/to_scwrl_2073245469.seq -o /var/tmp/from_scwrl_2073245469.pdb > /var/tmp/scwrl_2073245469.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2073245469.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 T0327.try1-opt2.pdb looking for model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -60.9589 # GDT_score(maxd=8,maxw=2.9)= -60.8928 # GDT_score(maxd=8,maxw=3.2)= -57.6451 # GDT_score(maxd=8,maxw=3.5)= -54.6573 # GDT_score(maxd=10,maxw=3.8)= -58.5737 # GDT_score(maxd=10,maxw=4)= -56.6809 # GDT_score(maxd=10,maxw=4.2)= -54.7737 # GDT_score(maxd=12,maxw=4.3)= -58.9982 # GDT_score(maxd=12,maxw=4.5)= -57.0911 # GDT_score(maxd=12,maxw=4.7)= -55.263 # GDT_score(maxd=14,maxw=5.2)= -54.8987 # GDT_score(maxd=14,maxw=5.5)= -52.5767 # command:# Prefix for output files set to # command:superimposing iter= 0 total_weight= 8.8700000e+02 rmsd (weighted)= 5.0673541e+00 (unweighted)= 2.8403701e+01 superimposing iter= 1 total_weight= 2.1935205e+03 rmsd (weighted)= 2.3814035e+00 (unweighted)= 2.8645825e+01 superimposing iter= 2 total_weight= 1.1012168e+03 rmsd (weighted)= 1.7053126e+00 (unweighted)= 2.8729677e+01 superimposing iter= 3 total_weight= 7.7868749e+02 rmsd (weighted)= 1.4676733e+00 (unweighted)= 2.8799127e+01 superimposing iter= 4 total_weight= 7.2008099e+02 rmsd (weighted)= 1.3158359e+00 (unweighted)= 2.8839380e+01 superimposing iter= 5 total_weight= 6.8377596e+02 rmsd (weighted)= 1.2131147e+00 (unweighted)= 2.8853294e+01 # command:# Prefix for output files set to decoys/ # command:# Prefix for input files set to # command:# ReadConformPDB reading from PDB file T0327.undertaker-align.pdb looking for model 1 WARNING: atoms too close: (T0327)G48.C and (T0327)V49.C only 0.0000000e+00 apart, marking (T0327)V49.C as missing WARNING: atoms too close: (T0327)V49.N and (T0327)H50.N only 0.0000000e+00 apart, marking (T0327)V49.N as missing WARNING: atoms too close: (T0327)V49.CA and (T0327)H50.CA only 0.0000000e+00 apart, marking (T0327)V49.CA as missing WARNING: atoms too close: (T0327)Y59.C and (T0327)E64.C only 0.0000000e+00 apart, marking (T0327)E64.C as missing WARNING: atoms too close: (T0327)K60.N and (T0327)L65.N only 0.0000000e+00 apart, marking (T0327)K60.N as missing WARNING: atoms too close: (T0327)K60.CA and (T0327)L65.CA only 0.0000000e+00 apart, marking (T0327)K60.CA as missing # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # command:# naming current conformation align1 # command:# fraction of real conformation used = 0.821918 # GDT_score = -61.3014 # GDT_score(maxd=8,maxw=2.9)= -61.0138 # GDT_score(maxd=8,maxw=3.2)= -59.0227 # GDT_score(maxd=8,maxw=3.5)= -57.0098 # GDT_score(maxd=10,maxw=3.8)= -59.2745 # GDT_score(maxd=10,maxw=4)= -57.958 # GDT_score(maxd=10,maxw=4.2)= -56.4919 # GDT_score(maxd=12,maxw=4.3)= -59.1924 # GDT_score(maxd=12,maxw=4.5)= -57.7234 # GDT_score(maxd=12,maxw=4.7)= -56.258 # GDT_score(maxd=14,maxw=5.2)= -55.5271 # GDT_score(maxd=14,maxw=5.5)= -53.435 # command:# ReadConformPDB reading from PDB file T0327.undertaker-align.pdb looking for model 2 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # command:# naming current conformation align2 # command:# fraction of real conformation used = 0.876712 # GDT_score = -60.9589 # GDT_score(maxd=8,maxw=2.9)= -63.7045 # GDT_score(maxd=8,maxw=3.2)= -60.3887 # GDT_score(maxd=8,maxw=3.5)= -57.2812 # GDT_score(maxd=10,maxw=3.8)= -59.8461 # GDT_score(maxd=10,maxw=4)= -57.8687 # GDT_score(maxd=10,maxw=4.2)= -56.0002 # GDT_score(maxd=12,maxw=4.3)= -59.3216 # GDT_score(maxd=12,maxw=4.5)= -57.5019 # GDT_score(maxd=12,maxw=4.7)= -55.7313 # GDT_score(maxd=14,maxw=5.2)= -54.885 # GDT_score(maxd=14,maxw=5.5)= -52.5774 # command:# ReadConformPDB reading from PDB file T0327.undertaker-align.pdb looking for model 3 WARNING: atoms too close: (T0327)Y83.C and (T0327)T85.C only 0.0000000e+00 apart, marking (T0327)T85.C as missing WARNING: atoms too close: (T0327)K84.N and (T0327)I86.N only 0.0000000e+00 apart, marking (T0327)K84.N as missing WARNING: atoms too close: (T0327)K84.CA and (T0327)I86.CA only 0.0000000e+00 apart, marking (T0327)K84.CA as missing # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # command:# naming current conformation align3 # command:# ReadConformPDB reading from PDB file T0327.undertaker-align.pdb looking for model 4 WARNING: atoms too close: (T0327)K60.C and (T0327)E64.C only 0.0000000e+00 apart, marking (T0327)E64.C as missing WARNING: atoms too close: (T0327)L61.N and (T0327)L65.N only 0.0000000e+00 apart, marking (T0327)L61.N as missing WARNING: atoms too close: (T0327)L61.CA and (T0327)L65.CA only 0.0000000e+00 apart, marking (T0327)L61.CA as missing # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # command:# naming current conformation align4 # command:# ReadConformPDB reading from PDB file T0327.undertaker-align.pdb looking for model 5 WARNING: atoms too close: (T0327)L61.C and (T0327)L65.C only 0.0000000e+00 apart, marking (T0327)L65.C as missing WARNING: atoms too close: (T0327)G62.N and (T0327)T66.N only 0.0000000e+00 apart, marking (T0327)G62.N as missing WARNING: atoms too close: (T0327)G62.CA and (T0327)T66.CA only 0.0000000e+00 apart, marking (T0327)G62.CA as missing WARNING: atoms too close: (T0327)G69.C and (T0327)L73.C only 0.0000000e+00 apart, marking (T0327)L73.C as missing WARNING: atoms too close: (T0327)E70.N and (T0327)K74.N only 0.0000000e+00 apart, marking (T0327)E70.N as missing WARNING: atoms too close: (T0327)E70.CA and (T0327)K74.CA only 0.0000000e+00 apart, marking (T0327)E70.CA as missing # WARNING: incomplete conformation T0327 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 56 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model2.ts-submitted looking for model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model3.ts-submitted looking for model 1 # Found a chain break before 78 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model4.ts-submitted looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # ReadConformPDB reading from PDB file ../model5.ts-submitted looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # ReadConformPDB reading from PDB file T0327.try1-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0327.try1-opt1.pdb.gz looking for model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0327.try1-opt2-proteinshop-2.pdb.gz looking for model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0327.try1-opt2-proteinshop.pdb.gz looking for model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0327.try1-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0327.try1-opt2.pdb.gz looking for model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0327.try1-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 T0327.try2-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 78 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0327.try2-opt1.pdb.gz looking for model 1 # Found a chain break before 78 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0327.try2-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0327.try2-opt2.pdb.gz looking for model 1 # Found a chain break before 78 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0327.try2-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 78 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0327.try3-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 95 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0327.try3-opt1.pdb.gz looking for model 1 # Found a chain break before 95 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0327.try3-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 93 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0327.try3-opt2.pdb.gz looking for model 1 # Found a chain break before 95 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0327.try3-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 95 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0327.try4-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 76 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0327.try4-opt1.pdb.gz looking for model 1 # Found a chain break before 76 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0327.try4-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 54 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0327.try4-opt2.pdb.gz looking for model 1 # Found a chain break before 78 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0327.try4-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 78 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try1-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 51 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try1-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 51 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try1-opt2.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 26 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt2.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try1-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 75 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try1-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 75 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try1-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 26 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try1-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 26 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try1-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 75 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try10-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 59 # copying to AlignedFragments data structure # naming current conformation dimer//try10-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try10-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 59 # copying to AlignedFragments data structure # naming current conformation dimer//try10-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try10-opt2.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # naming current conformation dimer//try10-opt2.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try10-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 59 # copying to AlignedFragments data structure # naming current conformation dimer//try10-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try10-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 59 # copying to AlignedFragments data structure # naming current conformation dimer//try10-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try10-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try10-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try10-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try10-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try10-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 59 # copying to AlignedFragments data structure # naming current conformation dimer//try10-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try11-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try11-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try11-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try11-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try11-opt2.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # naming current conformation dimer//try11-opt2.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try11-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try11-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try11-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try11-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try11-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try11-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try11-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try11-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try11-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try11-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try12-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try12-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try12-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try12-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try12-opt2.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # naming current conformation dimer//try12-opt2.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try12-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try12-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try12-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try12-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try12-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try12-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try12-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try12-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try12-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try12-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try13-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try13-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try13-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try13-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try13-opt2.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # naming current conformation dimer//try13-opt2.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try13-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try13-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try13-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try13-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try13-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try13-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try13-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try13-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try13-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try13-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try14-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try14-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try14-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try14-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try14-opt2.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # naming current conformation dimer//try14-opt2.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try14-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try14-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try14-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try14-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try14-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try14-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try14-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try14-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try14-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try14-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try15-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try15-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try15-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try15-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try15-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try15-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try15-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try15-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try15-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 59 # copying to AlignedFragments data structure # naming current conformation dimer//try15-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try15-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 59 # copying to AlignedFragments data structure # naming current conformation dimer//try15-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try15-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try15-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try2-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # naming current conformation dimer//try2-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try2-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # naming current conformation dimer//try2-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try2-opt2.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # naming current conformation dimer//try2-opt2.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try2-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # naming current conformation dimer//try2-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try2-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # naming current conformation dimer//try2-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try2-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try2-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try2-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try2-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try2-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # naming current conformation dimer//try2-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try3-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 70 # copying to AlignedFragments data structure # naming current conformation dimer//try3-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try3-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 70 # copying to AlignedFragments data structure # naming current conformation dimer//try3-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try3-opt2.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # naming current conformation dimer//try3-opt2.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try3-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 70 # copying to AlignedFragments data structure # naming current conformation dimer//try3-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try3-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 70 # copying to AlignedFragments data structure # naming current conformation dimer//try3-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try3-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try3-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try3-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try3-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try3-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 70 # copying to AlignedFragments data structure # naming current conformation dimer//try3-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try4-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 78 # copying to AlignedFragments data structure # naming current conformation dimer//try4-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try4-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 78 # copying to AlignedFragments data structure # naming current conformation dimer//try4-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try4-opt2.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # naming current conformation dimer//try4-opt2.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try4-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 78 # copying to AlignedFragments data structure # naming current conformation dimer//try4-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try4-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 78 # copying to AlignedFragments data structure # naming current conformation dimer//try4-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try4-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try4-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try4-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try4-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try4-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 78 # copying to AlignedFragments data structure # naming current conformation dimer//try4-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try5-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 75 # copying to AlignedFragments data structure # naming current conformation dimer//try5-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try5-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 75 # copying to AlignedFragments data structure # naming current conformation dimer//try5-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try5-opt2.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # naming current conformation dimer//try5-opt2.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try5-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 75 # copying to AlignedFragments data structure # naming current conformation dimer//try5-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try5-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 75 # copying to AlignedFragments data structure # naming current conformation dimer//try5-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try5-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try5-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try5-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try5-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try5-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 75 # copying to AlignedFragments data structure # naming current conformation dimer//try5-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try6-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 83 # copying to AlignedFragments data structure # naming current conformation dimer//try6-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try6-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 83 # copying to AlignedFragments data structure # naming current conformation dimer//try6-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try6-opt2.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # naming current conformation dimer//try6-opt2.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try6-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 79 # copying to AlignedFragments data structure # naming current conformation dimer//try6-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try6-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 79 # copying to AlignedFragments data structure # naming current conformation dimer//try6-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try6-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try6-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try6-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try6-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try6-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 79 # copying to AlignedFragments data structure # naming current conformation dimer//try6-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try7-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 78 # copying to AlignedFragments data structure # naming current conformation dimer//try7-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try7-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 78 # copying to AlignedFragments data structure # naming current conformation dimer//try7-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try7-opt2.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 59 # copying to AlignedFragments data structure # naming current conformation dimer//try7-opt2.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try7-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 59 # copying to AlignedFragments data structure # naming current conformation dimer//try7-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try7-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 59 # copying to AlignedFragments data structure # naming current conformation dimer//try7-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try7-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 74 # copying to AlignedFragments data structure # naming current conformation dimer//try7-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try7-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 74 # copying to AlignedFragments data structure # naming current conformation dimer//try7-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try7-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 59 # copying to AlignedFragments data structure # naming current conformation dimer//try7-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try8-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 76 # copying to AlignedFragments data structure # naming current conformation dimer//try8-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try8-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 76 # copying to AlignedFragments data structure # naming current conformation dimer//try8-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try8-opt2.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # naming current conformation dimer//try8-opt2.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try8-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 76 # copying to AlignedFragments data structure # naming current conformation dimer//try8-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try8-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 76 # copying to AlignedFragments data structure # naming current conformation dimer//try8-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try8-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try8-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try8-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try8-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try8-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 76 # copying to AlignedFragments data structure # naming current conformation dimer//try8-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try9-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 59 # copying to AlignedFragments data structure # naming current conformation dimer//try9-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try9-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 59 # copying to AlignedFragments data structure # naming current conformation dimer//try9-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try9-opt2.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # naming current conformation dimer//try9-opt2.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try9-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 59 # copying to AlignedFragments data structure # naming current conformation dimer//try9-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try9-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 59 # copying to AlignedFragments data structure # naming current conformation dimer//try9-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try9-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try9-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try9-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try9-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try9-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 59 # copying to AlignedFragments data structure # naming current conformation dimer//try9-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/dimer-1tbxA-try1-opt2-proteinshop.pdb.gz looking for chain 'A' model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-1tbxA-try1-opt2-proteinshop # ReadConformPDB reading from PDB file ../dimer/decoys/dimer-1tbxA-try1-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-1tbxA-try1-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/dimer-1ub9A-dimer11.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-1ub9A-dimer11 # ReadConformPDB reading from PDB file ../dimer/decoys/dimer1-1tbxA-dimer6.pdb.gz looking for chain 'A' model 1 # Found a chain break before 79 # copying to AlignedFragments data structure # naming current conformation dimer//dimer1-1tbxA-dimer6 # ReadConformPDB reading from PDB file ../dimer/decoys/dimer2-1tbxA-dimer6.pdb.gz looking for chain 'A' model 1 # Found a chain break before 79 # copying to AlignedFragments data structure # naming current conformation dimer//dimer2-1tbxA-dimer6 # ReadConformPDB reading from PDB file ../dimer/decoys/dimer3-1tbxA-dimer6.pdb.gz looking for chain 'A' model 1 # Found a chain break before 79 # copying to AlignedFragments data structure # naming current conformation dimer//dimer3-1tbxA-dimer6 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_943051234.pdb -s /var/tmp/to_scwrl_943051234.seq -o /var/tmp/from_scwrl_943051234.pdb > /var/tmp/scwrl_943051234.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_943051234.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 T0327 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_228606695.pdb -s /var/tmp/to_scwrl_228606695.seq -o /var/tmp/from_scwrl_228606695.pdb > /var/tmp/scwrl_228606695.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_228606695.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 T0327 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_668047358.pdb -s /var/tmp/to_scwrl_668047358.seq -o /var/tmp/from_scwrl_668047358.pdb > /var/tmp/scwrl_668047358.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_668047358.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 T0327 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_969670767.pdb -s /var/tmp/to_scwrl_969670767.seq -o /var/tmp/from_scwrl_969670767.pdb > /var/tmp/scwrl_969670767.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_969670767.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 T0327 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_164765370.pdb -s /var/tmp/to_scwrl_164765370.seq -o /var/tmp/from_scwrl_164765370.pdb > /var/tmp/scwrl_164765370.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_164765370.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 T0327 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1339381226.pdb -s /var/tmp/to_scwrl_1339381226.seq -o /var/tmp/from_scwrl_1339381226.pdb > /var/tmp/scwrl_1339381226.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1339381226.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_RECOM_TS1-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1902460688.pdb -s /var/tmp/to_scwrl_1902460688.seq -o /var/tmp/from_scwrl_1902460688.pdb > /var/tmp/scwrl_1902460688.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1902460688.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_RECOM_TS2-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_376968322.pdb -s /var/tmp/to_scwrl_376968322.seq -o /var/tmp/from_scwrl_376968322.pdb > /var/tmp/scwrl_376968322.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_376968322.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_RECOM_TS3-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_504938655.pdb -s /var/tmp/to_scwrl_504938655.seq -o /var/tmp/from_scwrl_504938655.pdb > /var/tmp/scwrl_504938655.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_504938655.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_RECOM_TS4-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1851909542.pdb -s /var/tmp/to_scwrl_1851909542.seq -o /var/tmp/from_scwrl_1851909542.pdb > /var/tmp/scwrl_1851909542.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1851909542.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_RECOM_TS5-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_564159712.pdb -s /var/tmp/to_scwrl_564159712.seq -o /var/tmp/from_scwrl_564159712.pdb > /var/tmp/scwrl_564159712.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_564159712.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_TS1-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_724450604.pdb -s /var/tmp/to_scwrl_724450604.seq -o /var/tmp/from_scwrl_724450604.pdb > /var/tmp/scwrl_724450604.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_724450604.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_TS2-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS3.pdb.gz looking for model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1516580103.pdb -s /var/tmp/to_scwrl_1516580103.seq -o /var/tmp/from_scwrl_1516580103.pdb > /var/tmp/scwrl_1516580103.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1516580103.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_TS3-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_432926232.pdb -s /var/tmp/to_scwrl_432926232.seq -o /var/tmp/from_scwrl_432926232.pdb > /var/tmp/scwrl_432926232.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_432926232.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_TS4-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_246091169.pdb -s /var/tmp/to_scwrl_246091169.seq -o /var/tmp/from_scwrl_246091169.pdb > /var/tmp/scwrl_246091169.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_246091169.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_TS5-scwrl # ReadConformPDB reading from PDB file servers/3Dpro_TS1.pdb.gz looking for model 1 # Found a chain break before 59 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1484288818.pdb -s /var/tmp/to_scwrl_1484288818.seq -o /var/tmp/from_scwrl_1484288818.pdb > /var/tmp/scwrl_1484288818.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1484288818.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 34 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1653721731.pdb -s /var/tmp/to_scwrl_1653721731.seq -o /var/tmp/from_scwrl_1653721731.pdb > /var/tmp/scwrl_1653721731.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1653721731.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 97 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1948146431.pdb -s /var/tmp/to_scwrl_1948146431.seq -o /var/tmp/from_scwrl_1948146431.pdb > /var/tmp/scwrl_1948146431.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1948146431.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 97 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1727163969.pdb -s /var/tmp/to_scwrl_1727163969.seq -o /var/tmp/from_scwrl_1727163969.pdb > /var/tmp/scwrl_1727163969.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1727163969.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 97 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1368909345.pdb -s /var/tmp/to_scwrl_1368909345.seq -o /var/tmp/from_scwrl_1368909345.pdb > /var/tmp/scwrl_1368909345.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1368909345.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 97 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_2070465541.pdb -s /var/tmp/to_scwrl_2070465541.seq -o /var/tmp/from_scwrl_2070465541.pdb > /var/tmp/scwrl_2070465541.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2070465541.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 78 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1202105193.pdb -s /var/tmp/to_scwrl_1202105193.seq -o /var/tmp/from_scwrl_1202105193.pdb > /var/tmp/scwrl_1202105193.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1202105193.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 52 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_2120745989.pdb -s /var/tmp/to_scwrl_2120745989.seq -o /var/tmp/from_scwrl_2120745989.pdb > /var/tmp/scwrl_2120745989.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2120745989.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 99 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1162817453.pdb -s /var/tmp/to_scwrl_1162817453.seq -o /var/tmp/from_scwrl_1162817453.pdb > /var/tmp/scwrl_1162817453.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1162817453.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 89 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_934634323.pdb -s /var/tmp/to_scwrl_934634323.seq -o /var/tmp/from_scwrl_934634323.pdb > /var/tmp/scwrl_934634323.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_934634323.pdb # conformation set from SCWRL output # naming current conformation ABIpro_TS5-scwrl # ReadConformPDB reading from PDB file servers/BayesHH_TS1.pdb.gz looking for model 1 # Found a chain break before 55 # copying to AlignedFragments data structure # naming current conformation BayesHH_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_288179190.pdb -s /var/tmp/to_scwrl_288179190.seq -o /var/tmp/from_scwrl_288179190.pdb > /var/tmp/scwrl_288179190.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_288179190.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 69 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1731073677.pdb -s /var/tmp/to_scwrl_1731073677.seq -o /var/tmp/from_scwrl_1731073677.pdb > /var/tmp/scwrl_1731073677.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1731073677.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS1-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS2.pdb.gz looking for model 1 # Found a chain break before 64 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1129446428.pdb -s /var/tmp/to_scwrl_1129446428.seq -o /var/tmp/from_scwrl_1129446428.pdb > /var/tmp/scwrl_1129446428.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1129446428.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 101 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1780141250.pdb -s /var/tmp/to_scwrl_1780141250.seq -o /var/tmp/from_scwrl_1780141250.pdb > /var/tmp/scwrl_1780141250.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1780141250.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS3-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS4.pdb.gz looking for model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_705055571.pdb -s /var/tmp/to_scwrl_705055571.seq -o /var/tmp/from_scwrl_705055571.pdb > /var/tmp/scwrl_705055571.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_705055571.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 101 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1055208251.pdb -s /var/tmp/to_scwrl_1055208251.seq -o /var/tmp/from_scwrl_1055208251.pdb > /var/tmp/scwrl_1055208251.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1055208251.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 89 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_575708837.pdb -s /var/tmp/to_scwrl_575708837.seq -o /var/tmp/from_scwrl_575708837.pdb > /var/tmp/scwrl_575708837.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_575708837.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 90 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_933662266.pdb -s /var/tmp/to_scwrl_933662266.seq -o /var/tmp/from_scwrl_933662266.pdb > /var/tmp/scwrl_933662266.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_933662266.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS2-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1723255609.pdb -s /var/tmp/to_scwrl_1723255609.seq -o /var/tmp/from_scwrl_1723255609.pdb > /var/tmp/scwrl_1723255609.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1723255609.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS3-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1545379603.pdb -s /var/tmp/to_scwrl_1545379603.seq -o /var/tmp/from_scwrl_1545379603.pdb > /var/tmp/scwrl_1545379603.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1545379603.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS4-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1098427636.pdb -s /var/tmp/to_scwrl_1098427636.seq -o /var/tmp/from_scwrl_1098427636.pdb > /var/tmp/scwrl_1098427636.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1098427636.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS5-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_915153189.pdb -s /var/tmp/to_scwrl_915153189.seq -o /var/tmp/from_scwrl_915153189.pdb > /var/tmp/scwrl_915153189.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_915153189.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 T0327 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1300356645.pdb -s /var/tmp/to_scwrl_1300356645.seq -o /var/tmp/from_scwrl_1300356645.pdb > /var/tmp/scwrl_1300356645.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1300356645.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 T0327 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1475395958.pdb -s /var/tmp/to_scwrl_1475395958.seq -o /var/tmp/from_scwrl_1475395958.pdb > /var/tmp/scwrl_1475395958.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1475395958.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 T0327 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1420091843.pdb -s /var/tmp/to_scwrl_1420091843.seq -o /var/tmp/from_scwrl_1420091843.pdb > /var/tmp/scwrl_1420091843.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1420091843.pdb # conformation set from SCWRL output # naming current conformation CaspIta-FOX_TS4-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation CaspIta-FOX_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1004782541.pdb -s /var/tmp/to_scwrl_1004782541.seq -o /var/tmp/from_scwrl_1004782541.pdb > /var/tmp/scwrl_1004782541.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1004782541.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 T0327 can't currently be optimized by undertaker # naming current conformation Distill_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_2039555670.pdb -s /var/tmp/to_scwrl_2039555670.seq -o /var/tmp/from_scwrl_2039555670.pdb > /var/tmp/scwrl_2039555670.log Error: Couldn't open file /var/tmp/from_scwrl_2039555670.pdb or /var/tmp/from_scwrl_2039555670.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2039555670_b.pdb or decoys//var/tmp/from_scwrl_2039555670_b.pdb.gz for input Trying /var/tmp/from_scwrl_2039555670_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2039555670_b.pdb or /var/tmp/from_scwrl_2039555670_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2039555670_a.pdb or decoys//var/tmp/from_scwrl_2039555670_a.pdb.gz for input Trying /var/tmp/from_scwrl_2039555670_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2039555670_a.pdb or /var/tmp/from_scwrl_2039555670_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2039555670.pdb or /var/tmp/from_scwrl_2039555670_b.pdb or /var/tmp/from_scwrl_2039555670_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 T0327 can't currently be optimized by undertaker # naming current conformation Distill_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_2144542447.pdb -s /var/tmp/to_scwrl_2144542447.seq -o /var/tmp/from_scwrl_2144542447.pdb > /var/tmp/scwrl_2144542447.log Error: Couldn't open file /var/tmp/from_scwrl_2144542447.pdb or /var/tmp/from_scwrl_2144542447.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2144542447_b.pdb or decoys//var/tmp/from_scwrl_2144542447_b.pdb.gz for input Trying /var/tmp/from_scwrl_2144542447_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2144542447_b.pdb or /var/tmp/from_scwrl_2144542447_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2144542447_a.pdb or decoys//var/tmp/from_scwrl_2144542447_a.pdb.gz for input Trying /var/tmp/from_scwrl_2144542447_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2144542447_a.pdb or /var/tmp/from_scwrl_2144542447_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2144542447.pdb or /var/tmp/from_scwrl_2144542447_b.pdb or /var/tmp/from_scwrl_2144542447_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 T0327 can't currently be optimized by undertaker # naming current conformation Distill_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_373878998.pdb -s /var/tmp/to_scwrl_373878998.seq -o /var/tmp/from_scwrl_373878998.pdb > /var/tmp/scwrl_373878998.log Error: Couldn't open file /var/tmp/from_scwrl_373878998.pdb or /var/tmp/from_scwrl_373878998.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_373878998_b.pdb or decoys//var/tmp/from_scwrl_373878998_b.pdb.gz for input Trying /var/tmp/from_scwrl_373878998_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_373878998_b.pdb or /var/tmp/from_scwrl_373878998_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_373878998_a.pdb or decoys//var/tmp/from_scwrl_373878998_a.pdb.gz for input Trying /var/tmp/from_scwrl_373878998_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_373878998_a.pdb or /var/tmp/from_scwrl_373878998_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_373878998.pdb or /var/tmp/from_scwrl_373878998_b.pdb or /var/tmp/from_scwrl_373878998_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 T0327 can't currently be optimized by undertaker # naming current conformation Distill_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_324998255.pdb -s /var/tmp/to_scwrl_324998255.seq -o /var/tmp/from_scwrl_324998255.pdb > /var/tmp/scwrl_324998255.log Error: Couldn't open file /var/tmp/from_scwrl_324998255.pdb or /var/tmp/from_scwrl_324998255.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_324998255_b.pdb or decoys//var/tmp/from_scwrl_324998255_b.pdb.gz for input Trying /var/tmp/from_scwrl_324998255_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_324998255_b.pdb or /var/tmp/from_scwrl_324998255_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_324998255_a.pdb or decoys//var/tmp/from_scwrl_324998255_a.pdb.gz for input Trying /var/tmp/from_scwrl_324998255_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_324998255_a.pdb or /var/tmp/from_scwrl_324998255_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_324998255.pdb or /var/tmp/from_scwrl_324998255_b.pdb or /var/tmp/from_scwrl_324998255_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 T0327 can't currently be optimized by undertaker # naming current conformation Distill_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_243149970.pdb -s /var/tmp/to_scwrl_243149970.seq -o /var/tmp/from_scwrl_243149970.pdb > /var/tmp/scwrl_243149970.log Error: Couldn't open file /var/tmp/from_scwrl_243149970.pdb or /var/tmp/from_scwrl_243149970.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_243149970_b.pdb or decoys//var/tmp/from_scwrl_243149970_b.pdb.gz for input Trying /var/tmp/from_scwrl_243149970_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_243149970_b.pdb or /var/tmp/from_scwrl_243149970_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_243149970_a.pdb or decoys//var/tmp/from_scwrl_243149970_a.pdb.gz for input Trying /var/tmp/from_scwrl_243149970_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_243149970_a.pdb or /var/tmp/from_scwrl_243149970_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_243149970.pdb or /var/tmp/from_scwrl_243149970_b.pdb or /var/tmp/from_scwrl_243149970_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 100 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1858167816.pdb -s /var/tmp/to_scwrl_1858167816.seq -o /var/tmp/from_scwrl_1858167816.pdb > /var/tmp/scwrl_1858167816.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1858167816.pdb # conformation set from SCWRL output # naming current conformation FAMSD_TS1-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation FAMSD_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1978719986.pdb -s /var/tmp/to_scwrl_1978719986.seq -o /var/tmp/from_scwrl_1978719986.pdb > /var/tmp/scwrl_1978719986.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1978719986.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 T0327 can't currently be optimized by undertaker # naming current conformation FAMSD_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_43812754.pdb -s /var/tmp/to_scwrl_43812754.seq -o /var/tmp/from_scwrl_43812754.pdb > /var/tmp/scwrl_43812754.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_43812754.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 T0327 can't currently be optimized by undertaker # naming current conformation FAMSD_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1437848139.pdb -s /var/tmp/to_scwrl_1437848139.seq -o /var/tmp/from_scwrl_1437848139.pdb > /var/tmp/scwrl_1437848139.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1437848139.pdb # conformation set from SCWRL output # naming current conformation FAMSD_TS4-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation FAMSD_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1200145685.pdb -s /var/tmp/to_scwrl_1200145685.seq -o /var/tmp/from_scwrl_1200145685.pdb > /var/tmp/scwrl_1200145685.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1200145685.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 98 # copying to AlignedFragments data structure # naming current conformation FAMS_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_2114278295.pdb -s /var/tmp/to_scwrl_2114278295.seq -o /var/tmp/from_scwrl_2114278295.pdb > /var/tmp/scwrl_2114278295.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2114278295.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 89 # copying to AlignedFragments data structure # naming current conformation FAMS_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_492469686.pdb -s /var/tmp/to_scwrl_492469686.seq -o /var/tmp/from_scwrl_492469686.pdb > /var/tmp/scwrl_492469686.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_492469686.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 90 # copying to AlignedFragments data structure # naming current conformation FAMS_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1173408027.pdb -s /var/tmp/to_scwrl_1173408027.seq -o /var/tmp/from_scwrl_1173408027.pdb > /var/tmp/scwrl_1173408027.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1173408027.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS3-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation FAMS_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1129612102.pdb -s /var/tmp/to_scwrl_1129612102.seq -o /var/tmp/from_scwrl_1129612102.pdb > /var/tmp/scwrl_1129612102.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1129612102.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS4-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation FAMS_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1427104008.pdb -s /var/tmp/to_scwrl_1427104008.seq -o /var/tmp/from_scwrl_1427104008.pdb > /var/tmp/scwrl_1427104008.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1427104008.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 58 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1461587218.pdb -s /var/tmp/to_scwrl_1461587218.seq -o /var/tmp/from_scwrl_1461587218.pdb > /var/tmp/scwrl_1461587218.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1461587218.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 63 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_713202133.pdb -s /var/tmp/to_scwrl_713202133.seq -o /var/tmp/from_scwrl_713202133.pdb > /var/tmp/scwrl_713202133.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_713202133.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 58 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_409066791.pdb -s /var/tmp/to_scwrl_409066791.seq -o /var/tmp/from_scwrl_409066791.pdb > /var/tmp/scwrl_409066791.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_409066791.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 62 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1094244821.pdb -s /var/tmp/to_scwrl_1094244821.seq -o /var/tmp/from_scwrl_1094244821.pdb > /var/tmp/scwrl_1094244821.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1094244821.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 61 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1418257704.pdb -s /var/tmp/to_scwrl_1418257704.seq -o /var/tmp/from_scwrl_1418257704.pdb > /var/tmp/scwrl_1418257704.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1418257704.pdb # conformation set from SCWRL output # naming current conformation FOLDpro_TS5-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation FORTE1_AL1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1464275041.pdb -s /var/tmp/to_scwrl_1464275041.seq -o /var/tmp/from_scwrl_1464275041.pdb > /var/tmp/scwrl_1464275041.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1464275041.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 T0327 can't currently be optimized by undertaker # naming current conformation FORTE1_AL2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1669953659.pdb -s /var/tmp/to_scwrl_1669953659.seq -o /var/tmp/from_scwrl_1669953659.pdb > /var/tmp/scwrl_1669953659.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1669953659.pdb # conformation set from SCWRL output # naming current conformation FORTE1_AL2-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL3.pdb.gz looking for model 1 Skipped atom 265, because occupancy 1.0000000e+00 <= existing 1.000 in servers/FORTE1_AL3.pdb.gz # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation FORTE1_AL3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_204436323.pdb -s /var/tmp/to_scwrl_204436323.seq -o /var/tmp/from_scwrl_204436323.pdb > /var/tmp/scwrl_204436323.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_204436323.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 T0327 can't currently be optimized by undertaker # naming current conformation FORTE1_AL4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1040047004.pdb -s /var/tmp/to_scwrl_1040047004.seq -o /var/tmp/from_scwrl_1040047004.pdb > /var/tmp/scwrl_1040047004.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1040047004.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 T0327 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1067849616.pdb -s /var/tmp/to_scwrl_1067849616.seq -o /var/tmp/from_scwrl_1067849616.pdb > /var/tmp/scwrl_1067849616.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1067849616.pdb # conformation set from SCWRL output # naming current conformation FORTE1_AL5-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation FORTE2_AL1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1302863959.pdb -s /var/tmp/to_scwrl_1302863959.seq -o /var/tmp/from_scwrl_1302863959.pdb > /var/tmp/scwrl_1302863959.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1302863959.pdb # conformation set from SCWRL output # naming current conformation FORTE2_AL1-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL2.pdb.gz looking for model 1 Skipped atom 265, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation FORTE2_AL2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1955200192.pdb -s /var/tmp/to_scwrl_1955200192.seq -o /var/tmp/from_scwrl_1955200192.pdb > /var/tmp/scwrl_1955200192.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1955200192.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 T0327 can't currently be optimized by undertaker # naming current conformation FORTE2_AL3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_220722614.pdb -s /var/tmp/to_scwrl_220722614.seq -o /var/tmp/from_scwrl_220722614.pdb > /var/tmp/scwrl_220722614.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_220722614.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 T0327 can't currently be optimized by undertaker # naming current conformation FORTE2_AL4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_630776272.pdb -s /var/tmp/to_scwrl_630776272.seq -o /var/tmp/from_scwrl_630776272.pdb > /var/tmp/scwrl_630776272.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_630776272.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 T0327 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE2_AL5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1227808388.pdb -s /var/tmp/to_scwrl_1227808388.seq -o /var/tmp/from_scwrl_1227808388.pdb > /var/tmp/scwrl_1227808388.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1227808388.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 99 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1225505155.pdb -s /var/tmp/to_scwrl_1225505155.seq -o /var/tmp/from_scwrl_1225505155.pdb > /var/tmp/scwrl_1225505155.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1225505155.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 101 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_522848295.pdb -s /var/tmp/to_scwrl_522848295.seq -o /var/tmp/from_scwrl_522848295.pdb > /var/tmp/scwrl_522848295.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_522848295.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 101 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1224867189.pdb -s /var/tmp/to_scwrl_1224867189.seq -o /var/tmp/from_scwrl_1224867189.pdb > /var/tmp/scwrl_1224867189.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1224867189.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 75 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1599384153.pdb -s /var/tmp/to_scwrl_1599384153.seq -o /var/tmp/from_scwrl_1599384153.pdb > /var/tmp/scwrl_1599384153.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1599384153.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 96 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_847846551.pdb -s /var/tmp/to_scwrl_847846551.seq -o /var/tmp/from_scwrl_847846551.pdb > /var/tmp/scwrl_847846551.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_847846551.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 68 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1468017159.pdb -s /var/tmp/to_scwrl_1468017159.seq -o /var/tmp/from_scwrl_1468017159.pdb > /var/tmp/scwrl_1468017159.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1468017159.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 78 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1310068322.pdb -s /var/tmp/to_scwrl_1310068322.seq -o /var/tmp/from_scwrl_1310068322.pdb > /var/tmp/scwrl_1310068322.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1310068322.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 T0327 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_679082890.pdb -s /var/tmp/to_scwrl_679082890.seq -o /var/tmp/from_scwrl_679082890.pdb > /var/tmp/scwrl_679082890.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_679082890.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS3-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS4.pdb.gz looking for model 1 # Found a chain break before 95 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1511829913.pdb -s /var/tmp/to_scwrl_1511829913.seq -o /var/tmp/from_scwrl_1511829913.pdb > /var/tmp/scwrl_1511829913.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1511829913.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS4-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS5.pdb.gz looking for model 1 # Found a chain break before 69 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_600432815.pdb -s /var/tmp/to_scwrl_600432815.seq -o /var/tmp/from_scwrl_600432815.pdb > /var/tmp/scwrl_600432815.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_600432815.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 T0327 can't currently be optimized by undertaker # naming current conformation FUGUE_AL1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1879228575.pdb -s /var/tmp/to_scwrl_1879228575.seq -o /var/tmp/from_scwrl_1879228575.pdb > /var/tmp/scwrl_1879228575.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1879228575.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 T0327 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1478624561.pdb -s /var/tmp/to_scwrl_1478624561.seq -o /var/tmp/from_scwrl_1478624561.pdb > /var/tmp/scwrl_1478624561.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1478624561.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 T0327 can't currently be optimized by undertaker # naming current conformation FUGUE_AL3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1092902500.pdb -s /var/tmp/to_scwrl_1092902500.seq -o /var/tmp/from_scwrl_1092902500.pdb > /var/tmp/scwrl_1092902500.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1092902500.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 T0327 can't currently be optimized by undertaker # naming current conformation FUGUE_AL4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_905152957.pdb -s /var/tmp/to_scwrl_905152957.seq -o /var/tmp/from_scwrl_905152957.pdb > /var/tmp/scwrl_905152957.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_905152957.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 323, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL5.pdb.gz Skipped atom 325, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL5.pdb.gz Skipped atom 327, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL5.pdb.gz Skipped atom 329, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL5.pdb.gz Skipped atom 331, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL5.pdb.gz # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_460753017.pdb -s /var/tmp/to_scwrl_460753017.seq -o /var/tmp/from_scwrl_460753017.pdb > /var/tmp/scwrl_460753017.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_460753017.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 99 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_372522863.pdb -s /var/tmp/to_scwrl_372522863.seq -o /var/tmp/from_scwrl_372522863.pdb > /var/tmp/scwrl_372522863.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_372522863.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 99 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_219256528.pdb -s /var/tmp/to_scwrl_219256528.seq -o /var/tmp/from_scwrl_219256528.pdb > /var/tmp/scwrl_219256528.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_219256528.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 97 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1173955150.pdb -s /var/tmp/to_scwrl_1173955150.seq -o /var/tmp/from_scwrl_1173955150.pdb > /var/tmp/scwrl_1173955150.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1173955150.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 98 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_781589654.pdb -s /var/tmp/to_scwrl_781589654.seq -o /var/tmp/from_scwrl_781589654.pdb > /var/tmp/scwrl_781589654.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_781589654.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 98 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1313501349.pdb -s /var/tmp/to_scwrl_1313501349.seq -o /var/tmp/from_scwrl_1313501349.pdb > /var/tmp/scwrl_1313501349.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1313501349.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 92 ; scwrl3 -i /var/tmp/to_scwrl_444729208.pdb -s /var/tmp/to_scwrl_444729208.seq -o /var/tmp/from_scwrl_444729208.pdb > /var/tmp/scwrl_444729208.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_444729208.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS1-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS2.pdb.gz looking for model 1 # Found a chain break before 78 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_98381048.pdb -s /var/tmp/to_scwrl_98381048.seq -o /var/tmp/from_scwrl_98381048.pdb > /var/tmp/scwrl_98381048.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_98381048.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 T0327 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_835971362.pdb -s /var/tmp/to_scwrl_835971362.seq -o /var/tmp/from_scwrl_835971362.pdb > /var/tmp/scwrl_835971362.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_835971362.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 62 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_649165531.pdb -s /var/tmp/to_scwrl_649165531.seq -o /var/tmp/from_scwrl_649165531.pdb > /var/tmp/scwrl_649165531.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_649165531.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS4-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS5.pdb.gz looking for model 1 # Found a chain break before 64 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1138428052.pdb -s /var/tmp/to_scwrl_1138428052.seq -o /var/tmp/from_scwrl_1138428052.pdb > /var/tmp/scwrl_1138428052.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1138428052.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS5-scwrl # ReadConformPDB reading from PDB file servers/HHpred1_TS1.pdb.gz looking for model 1 # Found a chain break before 47 # copying to AlignedFragments data structure # naming current conformation HHpred1_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1903820978.pdb -s /var/tmp/to_scwrl_1903820978.seq -o /var/tmp/from_scwrl_1903820978.pdb > /var/tmp/scwrl_1903820978.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1903820978.pdb # conformation set from SCWRL output # naming current conformation HHpred1_TS1-scwrl # ReadConformPDB reading from PDB file servers/HHpred2_TS1.pdb.gz looking for model 1 # Found a chain break before 55 # copying to AlignedFragments data structure # naming current conformation HHpred2_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1952029491.pdb -s /var/tmp/to_scwrl_1952029491.seq -o /var/tmp/from_scwrl_1952029491.pdb > /var/tmp/scwrl_1952029491.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1952029491.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 55 # copying to AlignedFragments data structure # naming current conformation HHpred3_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_946144598.pdb -s /var/tmp/to_scwrl_946144598.seq -o /var/tmp/from_scwrl_946144598.pdb > /var/tmp/scwrl_946144598.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_946144598.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 T0327 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_2124543592.pdb -s /var/tmp/to_scwrl_2124543592.seq -o /var/tmp/from_scwrl_2124543592.pdb > /var/tmp/scwrl_2124543592.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2124543592.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 T0327 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_435322116.pdb -s /var/tmp/to_scwrl_435322116.seq -o /var/tmp/from_scwrl_435322116.pdb > /var/tmp/scwrl_435322116.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_435322116.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 T0327 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_26469340.pdb -s /var/tmp/to_scwrl_26469340.seq -o /var/tmp/from_scwrl_26469340.pdb > /var/tmp/scwrl_26469340.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_26469340.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 T0327 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1202565100.pdb -s /var/tmp/to_scwrl_1202565100.seq -o /var/tmp/from_scwrl_1202565100.pdb > /var/tmp/scwrl_1202565100.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1202565100.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 T0327 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_958170411.pdb -s /var/tmp/to_scwrl_958170411.seq -o /var/tmp/from_scwrl_958170411.pdb > /var/tmp/scwrl_958170411.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_958170411.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 T0327 can't currently be optimized by undertaker # naming current conformation LOOPP_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1251336529.pdb -s /var/tmp/to_scwrl_1251336529.seq -o /var/tmp/from_scwrl_1251336529.pdb > /var/tmp/scwrl_1251336529.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1251336529.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 T0327 can't currently be optimized by undertaker # naming current conformation LOOPP_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_654465607.pdb -s /var/tmp/to_scwrl_654465607.seq -o /var/tmp/from_scwrl_654465607.pdb > /var/tmp/scwrl_654465607.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_654465607.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 T0327 can't currently be optimized by undertaker # naming current conformation LOOPP_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1806016961.pdb -s /var/tmp/to_scwrl_1806016961.seq -o /var/tmp/from_scwrl_1806016961.pdb > /var/tmp/scwrl_1806016961.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1806016961.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 T0327 can't currently be optimized by undertaker # naming current conformation LOOPP_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_571870042.pdb -s /var/tmp/to_scwrl_571870042.seq -o /var/tmp/from_scwrl_571870042.pdb > /var/tmp/scwrl_571870042.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_571870042.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 T0327 can't currently be optimized by undertaker # naming current conformation LOOPP_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1964533930.pdb -s /var/tmp/to_scwrl_1964533930.seq -o /var/tmp/from_scwrl_1964533930.pdb > /var/tmp/scwrl_1964533930.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1964533930.pdb # conformation set from SCWRL output # naming current conformation LOOPP_TS5-scwrl # ReadConformPDB reading from PDB file servers/MIG_FROST_AL1.pdb.gz looking for model 1 Error: Reading chain from PDB file servers/MIG_FROST_AL1.pdb.gz failed. # naming current conformation MIG_FROST_AL1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_337616205.pdb -s /var/tmp/to_scwrl_337616205.seq -o /var/tmp/from_scwrl_337616205.pdb > /var/tmp/scwrl_337616205.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_337616205.pdb # conformation set from SCWRL output # naming current conformation MIG_FROST_AL1-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS1.pdb.gz looking for model 1 # Found a chain break before 92 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_2083699955.pdb -s /var/tmp/to_scwrl_2083699955.seq -o /var/tmp/from_scwrl_2083699955.pdb > /var/tmp/scwrl_2083699955.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2083699955.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server2_TS1-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS2.pdb.gz looking for model 1 # Found a chain break before 64 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_417483098.pdb -s /var/tmp/to_scwrl_417483098.seq -o /var/tmp/from_scwrl_417483098.pdb > /var/tmp/scwrl_417483098.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_417483098.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server2_TS2-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS3.pdb.gz looking for model 1 # Found a chain break before 92 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_69361133.pdb -s /var/tmp/to_scwrl_69361133.seq -o /var/tmp/from_scwrl_69361133.pdb > /var/tmp/scwrl_69361133.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_69361133.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server2_TS3-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS4.pdb.gz looking for model 1 # Found a chain break before 47 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1414840869.pdb -s /var/tmp/to_scwrl_1414840869.seq -o /var/tmp/from_scwrl_1414840869.pdb > /var/tmp/scwrl_1414840869.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1414840869.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server2_TS4-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS5.pdb.gz looking for model 1 # Found a chain break before 89 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1510385599.pdb -s /var/tmp/to_scwrl_1510385599.seq -o /var/tmp/from_scwrl_1510385599.pdb > /var/tmp/scwrl_1510385599.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1510385599.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server2_TS5-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS1.pdb.gz looking for model 1 # Found a chain break before 88 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_974514090.pdb -s /var/tmp/to_scwrl_974514090.seq -o /var/tmp/from_scwrl_974514090.pdb > /var/tmp/scwrl_974514090.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_974514090.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server_TS1-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS2.pdb.gz looking for model 1 # Found a chain break before 63 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1875593887.pdb -s /var/tmp/to_scwrl_1875593887.seq -o /var/tmp/from_scwrl_1875593887.pdb > /var/tmp/scwrl_1875593887.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1875593887.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 92 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1882908462.pdb -s /var/tmp/to_scwrl_1882908462.seq -o /var/tmp/from_scwrl_1882908462.pdb > /var/tmp/scwrl_1882908462.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1882908462.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 48 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1193770617.pdb -s /var/tmp/to_scwrl_1193770617.seq -o /var/tmp/from_scwrl_1193770617.pdb > /var/tmp/scwrl_1193770617.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1193770617.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 89 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_902065391.pdb -s /var/tmp/to_scwrl_902065391.seq -o /var/tmp/from_scwrl_902065391.pdb > /var/tmp/scwrl_902065391.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_902065391.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 97 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_517014469.pdb -s /var/tmp/to_scwrl_517014469.seq -o /var/tmp/from_scwrl_517014469.pdb > /var/tmp/scwrl_517014469.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_517014469.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 99 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_359788321.pdb -s /var/tmp/to_scwrl_359788321.seq -o /var/tmp/from_scwrl_359788321.pdb > /var/tmp/scwrl_359788321.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_359788321.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 101 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1346794598.pdb -s /var/tmp/to_scwrl_1346794598.seq -o /var/tmp/from_scwrl_1346794598.pdb > /var/tmp/scwrl_1346794598.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1346794598.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 101 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_615395517.pdb -s /var/tmp/to_scwrl_615395517.seq -o /var/tmp/from_scwrl_615395517.pdb > /var/tmp/scwrl_615395517.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_615395517.pdb # conformation set from SCWRL output # naming current conformation MetaTasser_TS4-scwrl # ReadConformPDB reading from PDB file servers/MetaTasser_TS5.pdb.gz looking for model 1 # Found a chain break before 98 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1195759682.pdb -s /var/tmp/to_scwrl_1195759682.seq -o /var/tmp/from_scwrl_1195759682.pdb > /var/tmp/scwrl_1195759682.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1195759682.pdb # conformation set from SCWRL output # naming current conformation MetaTasser_TS5-scwrl # ReadConformPDB reading from PDB file servers/NN_PUT_lab_TS1.pdb.gz looking for model 1 # Found a chain break before 77 # copying to AlignedFragments data structure # naming current conformation NN_PUT_lab_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1995960129.pdb -s /var/tmp/to_scwrl_1995960129.seq -o /var/tmp/from_scwrl_1995960129.pdb > /var/tmp/scwrl_1995960129.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1995960129.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 83 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1753823569.pdb -s /var/tmp/to_scwrl_1753823569.seq -o /var/tmp/from_scwrl_1753823569.pdb > /var/tmp/scwrl_1753823569.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1753823569.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 101 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_952097014.pdb -s /var/tmp/to_scwrl_952097014.seq -o /var/tmp/from_scwrl_952097014.pdb > /var/tmp/scwrl_952097014.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_952097014.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 98 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1800505973.pdb -s /var/tmp/to_scwrl_1800505973.seq -o /var/tmp/from_scwrl_1800505973.pdb > /var/tmp/scwrl_1800505973.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1800505973.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 97 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_552484521.pdb -s /var/tmp/to_scwrl_552484521.seq -o /var/tmp/from_scwrl_552484521.pdb > /var/tmp/scwrl_552484521.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_552484521.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 100 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_929156960.pdb -s /var/tmp/to_scwrl_929156960.seq -o /var/tmp/from_scwrl_929156960.pdb > /var/tmp/scwrl_929156960.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_929156960.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 92 ; scwrl3 -i /var/tmp/to_scwrl_88344442.pdb -s /var/tmp/to_scwrl_88344442.seq -o /var/tmp/from_scwrl_88344442.pdb > /var/tmp/scwrl_88344442.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_88344442.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 92 ; scwrl3 -i /var/tmp/to_scwrl_578953861.pdb -s /var/tmp/to_scwrl_578953861.seq -o /var/tmp/from_scwrl_578953861.pdb > /var/tmp/scwrl_578953861.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_578953861.pdb # conformation set from SCWRL output # naming current conformation PROTINFO-AB_TS2-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS3.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_2131722060.pdb -s /var/tmp/to_scwrl_2131722060.seq -o /var/tmp/from_scwrl_2131722060.pdb > /var/tmp/scwrl_2131722060.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2131722060.pdb # conformation set from SCWRL output # naming current conformation PROTINFO-AB_TS3-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS4.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1046514854.pdb -s /var/tmp/to_scwrl_1046514854.seq -o /var/tmp/from_scwrl_1046514854.pdb > /var/tmp/scwrl_1046514854.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1046514854.pdb # conformation set from SCWRL output # naming current conformation PROTINFO-AB_TS4-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS5.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1830290390.pdb -s /var/tmp/to_scwrl_1830290390.seq -o /var/tmp/from_scwrl_1830290390.pdb > /var/tmp/scwrl_1830290390.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1830290390.pdb # conformation set from SCWRL output # naming current conformation PROTINFO-AB_TS5-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS1.pdb.gz looking for model 1 # Found a chain break before 65 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_638704021.pdb -s /var/tmp/to_scwrl_638704021.seq -o /var/tmp/from_scwrl_638704021.pdb > /var/tmp/scwrl_638704021.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_638704021.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS1-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS2.pdb.gz looking for model 1 # Found a chain break before 65 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_705048168.pdb -s /var/tmp/to_scwrl_705048168.seq -o /var/tmp/from_scwrl_705048168.pdb > /var/tmp/scwrl_705048168.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_705048168.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS2-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS3.pdb.gz looking for model 1 # Found a chain break before 65 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_254676785.pdb -s /var/tmp/to_scwrl_254676785.seq -o /var/tmp/from_scwrl_254676785.pdb > /var/tmp/scwrl_254676785.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_254676785.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS3-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS4.pdb.gz looking for model 1 # Found a chain break before 64 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_455754304.pdb -s /var/tmp/to_scwrl_455754304.seq -o /var/tmp/from_scwrl_455754304.pdb > /var/tmp/scwrl_455754304.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_455754304.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS4-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS5.pdb.gz looking for model 1 # Found a chain break before 81 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1042664373.pdb -s /var/tmp/to_scwrl_1042664373.seq -o /var/tmp/from_scwrl_1042664373.pdb > /var/tmp/scwrl_1042664373.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1042664373.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 T0327 can't currently be optimized by undertaker # naming current conformation Pcons6_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_190893093.pdb -s /var/tmp/to_scwrl_190893093.seq -o /var/tmp/from_scwrl_190893093.pdb > /var/tmp/scwrl_190893093.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_190893093.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 T0327 can't currently be optimized by undertaker # naming current conformation Pcons6_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_873237402.pdb -s /var/tmp/to_scwrl_873237402.seq -o /var/tmp/from_scwrl_873237402.pdb > /var/tmp/scwrl_873237402.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_873237402.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 T0327 can't currently be optimized by undertaker # naming current conformation Pcons6_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1112025506.pdb -s /var/tmp/to_scwrl_1112025506.seq -o /var/tmp/from_scwrl_1112025506.pdb > /var/tmp/scwrl_1112025506.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1112025506.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 T0327 can't currently be optimized by undertaker # naming current conformation Pcons6_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1605733962.pdb -s /var/tmp/to_scwrl_1605733962.seq -o /var/tmp/from_scwrl_1605733962.pdb > /var/tmp/scwrl_1605733962.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1605733962.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 T0327 can't currently be optimized by undertaker # naming current conformation Pcons6_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_236139354.pdb -s /var/tmp/to_scwrl_236139354.seq -o /var/tmp/from_scwrl_236139354.pdb > /var/tmp/scwrl_236139354.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_236139354.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 T0327 can't currently be optimized by undertaker # naming current conformation Phyre-1_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_2086539596.pdb -s /var/tmp/to_scwrl_2086539596.seq -o /var/tmp/from_scwrl_2086539596.pdb > /var/tmp/scwrl_2086539596.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2086539596.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 T0327 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 92 ; scwrl3 -i /var/tmp/to_scwrl_1333844202.pdb -s /var/tmp/to_scwrl_1333844202.seq -o /var/tmp/from_scwrl_1333844202.pdb > /var/tmp/scwrl_1333844202.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1333844202.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 T0327 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 92 ; scwrl3 -i /var/tmp/to_scwrl_2119047816.pdb -s /var/tmp/to_scwrl_2119047816.seq -o /var/tmp/from_scwrl_2119047816.pdb > /var/tmp/scwrl_2119047816.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2119047816.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 T0327 can't currently be optimized by undertaker # naming current conformation Phyre-2_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1132826567.pdb -s /var/tmp/to_scwrl_1132826567.seq -o /var/tmp/from_scwrl_1132826567.pdb > /var/tmp/scwrl_1132826567.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1132826567.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 T0327 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 92 ; scwrl3 -i /var/tmp/to_scwrl_88425946.pdb -s /var/tmp/to_scwrl_88425946.seq -o /var/tmp/from_scwrl_88425946.pdb > /var/tmp/scwrl_88425946.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_88425946.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 T0327 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 92 ; scwrl3 -i /var/tmp/to_scwrl_488578638.pdb -s /var/tmp/to_scwrl_488578638.seq -o /var/tmp/from_scwrl_488578638.pdb > /var/tmp/scwrl_488578638.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_488578638.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS5-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1492614888.pdb -s /var/tmp/to_scwrl_1492614888.seq -o /var/tmp/from_scwrl_1492614888.pdb > /var/tmp/scwrl_1492614888.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1492614888.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 77 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1435220544.pdb -s /var/tmp/to_scwrl_1435220544.seq -o /var/tmp/from_scwrl_1435220544.pdb > /var/tmp/scwrl_1435220544.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1435220544.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 # Found a chain break before 59 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1103974155.pdb -s /var/tmp/to_scwrl_1103974155.seq -o /var/tmp/from_scwrl_1103974155.pdb > /var/tmp/scwrl_1103974155.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1103974155.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 T0327 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_540890924.pdb -s /var/tmp/to_scwrl_540890924.seq -o /var/tmp/from_scwrl_540890924.pdb > /var/tmp/scwrl_540890924.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_540890924.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS4-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS5.pdb.gz looking for model 1 # Found a chain break before 51 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1283697027.pdb -s /var/tmp/to_scwrl_1283697027.seq -o /var/tmp/from_scwrl_1283697027.pdb > /var/tmp/scwrl_1283697027.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1283697027.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 79 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_710314078.pdb -s /var/tmp/to_scwrl_710314078.seq -o /var/tmp/from_scwrl_710314078.pdb > /var/tmp/scwrl_710314078.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_710314078.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 92 ; scwrl3 -i /var/tmp/to_scwrl_1492987938.pdb -s /var/tmp/to_scwrl_1492987938.seq -o /var/tmp/from_scwrl_1492987938.pdb > /var/tmp/scwrl_1492987938.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1492987938.pdb # conformation set from SCWRL output # naming current conformation RAPTOR-ACE_TS2-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS3.pdb.gz looking for model 1 # Found a chain break before 77 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_936719354.pdb -s /var/tmp/to_scwrl_936719354.seq -o /var/tmp/from_scwrl_936719354.pdb > /var/tmp/scwrl_936719354.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_936719354.pdb # conformation set from SCWRL output # naming current conformation RAPTOR-ACE_TS3-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS4.pdb.gz looking for model 1 # Found a chain break before 18 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1262798598.pdb -s /var/tmp/to_scwrl_1262798598.seq -o /var/tmp/from_scwrl_1262798598.pdb > /var/tmp/scwrl_1262798598.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1262798598.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 65 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_274661251.pdb -s /var/tmp/to_scwrl_274661251.seq -o /var/tmp/from_scwrl_274661251.pdb > /var/tmp/scwrl_274661251.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_274661251.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 99 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1025063797.pdb -s /var/tmp/to_scwrl_1025063797.seq -o /var/tmp/from_scwrl_1025063797.pdb > /var/tmp/scwrl_1025063797.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1025063797.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 62 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1841752459.pdb -s /var/tmp/to_scwrl_1841752459.seq -o /var/tmp/from_scwrl_1841752459.pdb > /var/tmp/scwrl_1841752459.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1841752459.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 31 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_258899664.pdb -s /var/tmp/to_scwrl_258899664.seq -o /var/tmp/from_scwrl_258899664.pdb > /var/tmp/scwrl_258899664.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_258899664.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 101 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_2071578650.pdb -s /var/tmp/to_scwrl_2071578650.seq -o /var/tmp/from_scwrl_2071578650.pdb > /var/tmp/scwrl_2071578650.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2071578650.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 101 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1524559202.pdb -s /var/tmp/to_scwrl_1524559202.seq -o /var/tmp/from_scwrl_1524559202.pdb > /var/tmp/scwrl_1524559202.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1524559202.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 88 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_897603685.pdb -s /var/tmp/to_scwrl_897603685.seq -o /var/tmp/from_scwrl_897603685.pdb > /var/tmp/scwrl_897603685.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_897603685.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 82 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_629143171.pdb -s /var/tmp/to_scwrl_629143171.seq -o /var/tmp/from_scwrl_629143171.pdb > /var/tmp/scwrl_629143171.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_629143171.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 96 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1779235987.pdb -s /var/tmp/to_scwrl_1779235987.seq -o /var/tmp/from_scwrl_1779235987.pdb > /var/tmp/scwrl_1779235987.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1779235987.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 65 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1353357988.pdb -s /var/tmp/to_scwrl_1353357988.seq -o /var/tmp/from_scwrl_1353357988.pdb > /var/tmp/scwrl_1353357988.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1353357988.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 77 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1671807544.pdb -s /var/tmp/to_scwrl_1671807544.seq -o /var/tmp/from_scwrl_1671807544.pdb > /var/tmp/scwrl_1671807544.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1671807544.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 59 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1970129080.pdb -s /var/tmp/to_scwrl_1970129080.seq -o /var/tmp/from_scwrl_1970129080.pdb > /var/tmp/scwrl_1970129080.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1970129080.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 59 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_79111744.pdb -s /var/tmp/to_scwrl_79111744.seq -o /var/tmp/from_scwrl_79111744.pdb > /var/tmp/scwrl_79111744.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_79111744.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 75 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_636349404.pdb -s /var/tmp/to_scwrl_636349404.seq -o /var/tmp/from_scwrl_636349404.pdb > /var/tmp/scwrl_636349404.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_636349404.pdb # conformation set from SCWRL output # naming current conformation ROBETTA_TS3-scwrl # ReadConformPDB reading from PDB file servers/ROBETTA_TS4.pdb.gz looking for model 1 # Found a chain break before 51 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1428379396.pdb -s /var/tmp/to_scwrl_1428379396.seq -o /var/tmp/from_scwrl_1428379396.pdb > /var/tmp/scwrl_1428379396.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1428379396.pdb # conformation set from SCWRL output # naming current conformation ROBETTA_TS4-scwrl # ReadConformPDB reading from PDB file servers/ROBETTA_TS5.pdb.gz looking for model 1 # Found a chain break before 77 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_315251098.pdb -s /var/tmp/to_scwrl_315251098.seq -o /var/tmp/from_scwrl_315251098.pdb > /var/tmp/scwrl_315251098.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_315251098.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 T0327 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_575405353.pdb -s /var/tmp/to_scwrl_575405353.seq -o /var/tmp/from_scwrl_575405353.pdb > /var/tmp/scwrl_575405353.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_575405353.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 T0327 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_614739952.pdb -s /var/tmp/to_scwrl_614739952.seq -o /var/tmp/from_scwrl_614739952.pdb > /var/tmp/scwrl_614739952.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_614739952.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 T0327 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_286815268.pdb -s /var/tmp/to_scwrl_286815268.seq -o /var/tmp/from_scwrl_286815268.pdb > /var/tmp/scwrl_286815268.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_286815268.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 T0327 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1708231920.pdb -s /var/tmp/to_scwrl_1708231920.seq -o /var/tmp/from_scwrl_1708231920.pdb > /var/tmp/scwrl_1708231920.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1708231920.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 T0327 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_703165899.pdb -s /var/tmp/to_scwrl_703165899.seq -o /var/tmp/from_scwrl_703165899.pdb > /var/tmp/scwrl_703165899.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_703165899.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 T0327 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_775393906.pdb -s /var/tmp/to_scwrl_775393906.seq -o /var/tmp/from_scwrl_775393906.pdb > /var/tmp/scwrl_775393906.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_775393906.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 T0327 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1053363162.pdb -s /var/tmp/to_scwrl_1053363162.seq -o /var/tmp/from_scwrl_1053363162.pdb > /var/tmp/scwrl_1053363162.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1053363162.pdb # conformation set from SCWRL output # naming current conformation SAM-T02_AL2-scwrl # ReadConformPDB reading from PDB file servers/SAM-T02_AL3.pdb.gz looking for model 1 Skipped atom 118, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 120, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 122, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 124, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 198, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 200, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 202, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 204, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_2138386443.pdb -s /var/tmp/to_scwrl_2138386443.seq -o /var/tmp/from_scwrl_2138386443.pdb > /var/tmp/scwrl_2138386443.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2138386443.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 T0327 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1879368061.pdb -s /var/tmp/to_scwrl_1879368061.seq -o /var/tmp/from_scwrl_1879368061.pdb > /var/tmp/scwrl_1879368061.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1879368061.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 T0327 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1594254086.pdb -s /var/tmp/to_scwrl_1594254086.seq -o /var/tmp/from_scwrl_1594254086.pdb > /var/tmp/scwrl_1594254086.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1594254086.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 T0327 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1274599823.pdb -s /var/tmp/to_scwrl_1274599823.seq -o /var/tmp/from_scwrl_1274599823.pdb > /var/tmp/scwrl_1274599823.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1274599823.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL1-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_442198493.pdb -s /var/tmp/to_scwrl_442198493.seq -o /var/tmp/from_scwrl_442198493.pdb > /var/tmp/scwrl_442198493.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_442198493.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL2-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL3.pdb.gz looking for model 1 Skipped atom 50, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 52, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 54, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 56, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 70, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 72, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 74, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 76, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 202, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 204, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 206, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 208, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 234, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 236, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 238, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 240, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_939758378.pdb -s /var/tmp/to_scwrl_939758378.seq -o /var/tmp/from_scwrl_939758378.pdb > /var/tmp/scwrl_939758378.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_939758378.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL3-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_63835531.pdb -s /var/tmp/to_scwrl_63835531.seq -o /var/tmp/from_scwrl_63835531.pdb > /var/tmp/scwrl_63835531.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_63835531.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL4-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1704997091.pdb -s /var/tmp/to_scwrl_1704997091.seq -o /var/tmp/from_scwrl_1704997091.pdb > /var/tmp/scwrl_1704997091.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1704997091.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL5-scwrl # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS1.pdb.gz looking for model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # naming current conformation SAM_T06_server_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1214419628.pdb -s /var/tmp/to_scwrl_1214419628.seq -o /var/tmp/from_scwrl_1214419628.pdb > /var/tmp/scwrl_1214419628.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1214419628.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 T0327 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1088899327.pdb -s /var/tmp/to_scwrl_1088899327.seq -o /var/tmp/from_scwrl_1088899327.pdb > /var/tmp/scwrl_1088899327.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1088899327.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 T0327 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1399265904.pdb -s /var/tmp/to_scwrl_1399265904.seq -o /var/tmp/from_scwrl_1399265904.pdb > /var/tmp/scwrl_1399265904.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1399265904.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 T0327 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1473319292.pdb -s /var/tmp/to_scwrl_1473319292.seq -o /var/tmp/from_scwrl_1473319292.pdb > /var/tmp/scwrl_1473319292.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1473319292.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 T0327 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1012994331.pdb -s /var/tmp/to_scwrl_1012994331.seq -o /var/tmp/from_scwrl_1012994331.pdb > /var/tmp/scwrl_1012994331.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1012994331.pdb # conformation set from SCWRL output # naming current conformation SAM_T06_server_TS5-scwrl # ReadConformPDB reading from PDB file servers/SP3_TS1.pdb.gz looking for model 1 # Found a chain break before 77 # copying to AlignedFragments data structure # naming current conformation SP3_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_776341460.pdb -s /var/tmp/to_scwrl_776341460.seq -o /var/tmp/from_scwrl_776341460.pdb > /var/tmp/scwrl_776341460.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_776341460.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 66 # copying to AlignedFragments data structure # naming current conformation SP3_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_223439331.pdb -s /var/tmp/to_scwrl_223439331.seq -o /var/tmp/from_scwrl_223439331.pdb > /var/tmp/scwrl_223439331.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_223439331.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 93 # copying to AlignedFragments data structure # naming current conformation SP3_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1642137501.pdb -s /var/tmp/to_scwrl_1642137501.seq -o /var/tmp/from_scwrl_1642137501.pdb > /var/tmp/scwrl_1642137501.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1642137501.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 59 # copying to AlignedFragments data structure # naming current conformation SP3_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_408093801.pdb -s /var/tmp/to_scwrl_408093801.seq -o /var/tmp/from_scwrl_408093801.pdb > /var/tmp/scwrl_408093801.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_408093801.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 79 # copying to AlignedFragments data structure # naming current conformation SP3_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1576797319.pdb -s /var/tmp/to_scwrl_1576797319.seq -o /var/tmp/from_scwrl_1576797319.pdb > /var/tmp/scwrl_1576797319.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1576797319.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 58 # copying to AlignedFragments data structure # naming current conformation SP4_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1166461398.pdb -s /var/tmp/to_scwrl_1166461398.seq -o /var/tmp/from_scwrl_1166461398.pdb > /var/tmp/scwrl_1166461398.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1166461398.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 20 # copying to AlignedFragments data structure # naming current conformation SP4_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_230739234.pdb -s /var/tmp/to_scwrl_230739234.seq -o /var/tmp/from_scwrl_230739234.pdb > /var/tmp/scwrl_230739234.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_230739234.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 75 # copying to AlignedFragments data structure # naming current conformation SP4_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1655909063.pdb -s /var/tmp/to_scwrl_1655909063.seq -o /var/tmp/from_scwrl_1655909063.pdb > /var/tmp/scwrl_1655909063.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1655909063.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 82 # copying to AlignedFragments data structure # naming current conformation SP4_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1802810802.pdb -s /var/tmp/to_scwrl_1802810802.seq -o /var/tmp/from_scwrl_1802810802.pdb > /var/tmp/scwrl_1802810802.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1802810802.pdb # conformation set from SCWRL output # naming current conformation SP4_TS4-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS5.pdb.gz looking for model 1 # Found a chain break before 88 # copying to AlignedFragments data structure # naming current conformation SP4_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1659118630.pdb -s /var/tmp/to_scwrl_1659118630.seq -o /var/tmp/from_scwrl_1659118630.pdb > /var/tmp/scwrl_1659118630.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1659118630.pdb # conformation set from SCWRL output # naming current conformation SP4_TS5-scwrl # ReadConformPDB reading from PDB file servers/SPARKS2_TS1.pdb.gz looking for model 1 # Found a chain break before 77 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1971160162.pdb -s /var/tmp/to_scwrl_1971160162.seq -o /var/tmp/from_scwrl_1971160162.pdb > /var/tmp/scwrl_1971160162.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1971160162.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 22 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_230732509.pdb -s /var/tmp/to_scwrl_230732509.seq -o /var/tmp/from_scwrl_230732509.pdb > /var/tmp/scwrl_230732509.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_230732509.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 94 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_126374936.pdb -s /var/tmp/to_scwrl_126374936.seq -o /var/tmp/from_scwrl_126374936.pdb > /var/tmp/scwrl_126374936.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_126374936.pdb # conformation set from SCWRL output # naming current conformation SPARKS2_TS3-scwrl # ReadConformPDB reading from PDB file servers/SPARKS2_TS4.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_110491783.pdb -s /var/tmp/to_scwrl_110491783.seq -o /var/tmp/from_scwrl_110491783.pdb > /var/tmp/scwrl_110491783.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_110491783.pdb # conformation set from SCWRL output # naming current conformation SPARKS2_TS4-scwrl # ReadConformPDB reading from PDB file servers/SPARKS2_TS5.pdb.gz looking for model 1 # Found a chain break before 92 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1938964429.pdb -s /var/tmp/to_scwrl_1938964429.seq -o /var/tmp/from_scwrl_1938964429.pdb > /var/tmp/scwrl_1938964429.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1938964429.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 T0327 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_829540835.pdb -s /var/tmp/to_scwrl_829540835.seq -o /var/tmp/from_scwrl_829540835.pdb > /var/tmp/scwrl_829540835.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_829540835.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 T0327 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_885885689.pdb -s /var/tmp/to_scwrl_885885689.seq -o /var/tmp/from_scwrl_885885689.pdb > /var/tmp/scwrl_885885689.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_885885689.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 T0327 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_844843945.pdb -s /var/tmp/to_scwrl_844843945.seq -o /var/tmp/from_scwrl_844843945.pdb > /var/tmp/scwrl_844843945.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_844843945.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 T0327 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_820443631.pdb -s /var/tmp/to_scwrl_820443631.seq -o /var/tmp/from_scwrl_820443631.pdb > /var/tmp/scwrl_820443631.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_820443631.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 T0327 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_617770104.pdb -s /var/tmp/to_scwrl_617770104.seq -o /var/tmp/from_scwrl_617770104.pdb > /var/tmp/scwrl_617770104.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_617770104.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_bnmx_TS5-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_expm_TS1.pdb.gz looking for model 1 WARNING: atoms too close: (T0327)N76.CA and (T0327)K87.CA only 0.000 apart, marking (T0327)K87.CA as missing WARNING: atoms too close: (T0327)G77.CA and (T0327)E88.CA only 0.000 apart, marking (T0327)E88.CA as missing # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation UNI-EID_expm_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_291614384.pdb -s /var/tmp/to_scwrl_291614384.seq -o /var/tmp/from_scwrl_291614384.pdb > /var/tmp/scwrl_291614384.log Error: Couldn't open file /var/tmp/from_scwrl_291614384.pdb or /var/tmp/from_scwrl_291614384.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_291614384_b.pdb or decoys//var/tmp/from_scwrl_291614384_b.pdb.gz for input Trying /var/tmp/from_scwrl_291614384_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_291614384_b.pdb or /var/tmp/from_scwrl_291614384_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_291614384_a.pdb or decoys//var/tmp/from_scwrl_291614384_a.pdb.gz for input Trying /var/tmp/from_scwrl_291614384_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_291614384_a.pdb or /var/tmp/from_scwrl_291614384_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_291614384.pdb or /var/tmp/from_scwrl_291614384_b.pdb or /var/tmp/from_scwrl_291614384_a.pdb Error: no new SCWRL conformation added # naming current conformation UNI-EID_expm_TS1-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_2095043455.pdb -s /var/tmp/to_scwrl_2095043455.seq -o /var/tmp/from_scwrl_2095043455.pdb > /var/tmp/scwrl_2095043455.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2095043455.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 T0327 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1059968597.pdb -s /var/tmp/to_scwrl_1059968597.seq -o /var/tmp/from_scwrl_1059968597.pdb > /var/tmp/scwrl_1059968597.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1059968597.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 T0327 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1231372761.pdb -s /var/tmp/to_scwrl_1231372761.seq -o /var/tmp/from_scwrl_1231372761.pdb > /var/tmp/scwrl_1231372761.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1231372761.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 Skipped atom 58, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 60, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 62, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 64, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 170, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 172, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 174, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 176, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 222, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 224, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 226, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 228, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_11395339.pdb -s /var/tmp/to_scwrl_11395339.seq -o /var/tmp/from_scwrl_11395339.pdb > /var/tmp/scwrl_11395339.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_11395339.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 T0327 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_617482041.pdb -s /var/tmp/to_scwrl_617482041.seq -o /var/tmp/from_scwrl_617482041.pdb > /var/tmp/scwrl_617482041.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_617482041.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 97 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_298308743.pdb -s /var/tmp/to_scwrl_298308743.seq -o /var/tmp/from_scwrl_298308743.pdb > /var/tmp/scwrl_298308743.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_298308743.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 65 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1100294666.pdb -s /var/tmp/to_scwrl_1100294666.seq -o /var/tmp/from_scwrl_1100294666.pdb > /var/tmp/scwrl_1100294666.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1100294666.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 79 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_2016747945.pdb -s /var/tmp/to_scwrl_2016747945.seq -o /var/tmp/from_scwrl_2016747945.pdb > /var/tmp/scwrl_2016747945.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2016747945.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 100 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1771628035.pdb -s /var/tmp/to_scwrl_1771628035.seq -o /var/tmp/from_scwrl_1771628035.pdb > /var/tmp/scwrl_1771628035.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1771628035.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 98 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_2113288997.pdb -s /var/tmp/to_scwrl_2113288997.seq -o /var/tmp/from_scwrl_2113288997.pdb > /var/tmp/scwrl_2113288997.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2113288997.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 101 # copying to AlignedFragments data structure # naming current conformation beautshot_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_645605759.pdb -s /var/tmp/to_scwrl_645605759.seq -o /var/tmp/from_scwrl_645605759.pdb > /var/tmp/scwrl_645605759.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_645605759.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 T0327 can't currently be optimized by undertaker # naming current conformation beautshotbase_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1995067366.pdb -s /var/tmp/to_scwrl_1995067366.seq -o /var/tmp/from_scwrl_1995067366.pdb > /var/tmp/scwrl_1995067366.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1995067366.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 T0327 can't currently be optimized by undertaker # naming current conformation forecast-s_AL1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1607942851.pdb -s /var/tmp/to_scwrl_1607942851.seq -o /var/tmp/from_scwrl_1607942851.pdb > /var/tmp/scwrl_1607942851.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1607942851.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 T0327 can't currently be optimized by undertaker # naming current conformation forecast-s_AL2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1053699560.pdb -s /var/tmp/to_scwrl_1053699560.seq -o /var/tmp/from_scwrl_1053699560.pdb > /var/tmp/scwrl_1053699560.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1053699560.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 T0327 can't currently be optimized by undertaker # naming current conformation forecast-s_AL3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1424381039.pdb -s /var/tmp/to_scwrl_1424381039.seq -o /var/tmp/from_scwrl_1424381039.pdb > /var/tmp/scwrl_1424381039.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1424381039.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 T0327 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation forecast-s_AL4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_626920604.pdb -s /var/tmp/to_scwrl_626920604.seq -o /var/tmp/from_scwrl_626920604.pdb > /var/tmp/scwrl_626920604.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_626920604.pdb # conformation set from SCWRL output # naming current conformation forecast-s_AL4-scwrl # ReadConformPDB reading from PDB file servers/forecast-s_AL5.pdb.gz looking for model 1 Skipped atom 138, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL5.pdb.gz Skipped atom 140, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL5.pdb.gz Skipped atom 142, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL5.pdb.gz Skipped atom 144, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL5.pdb.gz # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation forecast-s_AL5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1284438793.pdb -s /var/tmp/to_scwrl_1284438793.seq -o /var/tmp/from_scwrl_1284438793.pdb > /var/tmp/scwrl_1284438793.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1284438793.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 T0327 can't currently be optimized by undertaker # naming current conformation gtg_AL1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_932806456.pdb -s /var/tmp/to_scwrl_932806456.seq -o /var/tmp/from_scwrl_932806456.pdb > /var/tmp/scwrl_932806456.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_932806456.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 T0327 can't currently be optimized by undertaker # naming current conformation gtg_AL2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_282247759.pdb -s /var/tmp/to_scwrl_282247759.seq -o /var/tmp/from_scwrl_282247759.pdb > /var/tmp/scwrl_282247759.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_282247759.pdb # conformation set from SCWRL output # naming current conformation gtg_AL2-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS1.pdb.gz looking for model 1 # Found a chain break before 85 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_796073778.pdb -s /var/tmp/to_scwrl_796073778.seq -o /var/tmp/from_scwrl_796073778.pdb > /var/tmp/scwrl_796073778.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_796073778.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 92 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_756482971.pdb -s /var/tmp/to_scwrl_756482971.seq -o /var/tmp/from_scwrl_756482971.pdb > /var/tmp/scwrl_756482971.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_756482971.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 92 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_512980268.pdb -s /var/tmp/to_scwrl_512980268.seq -o /var/tmp/from_scwrl_512980268.pdb > /var/tmp/scwrl_512980268.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_512980268.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 91 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_922448714.pdb -s /var/tmp/to_scwrl_922448714.seq -o /var/tmp/from_scwrl_922448714.pdb > /var/tmp/scwrl_922448714.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_922448714.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.2_TS4-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS5.pdb.gz looking for model 1 # Found a chain break before 91 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_866974754.pdb -s /var/tmp/to_scwrl_866974754.seq -o /var/tmp/from_scwrl_866974754.pdb > /var/tmp/scwrl_866974754.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_866974754.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 93 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_304461051.pdb -s /var/tmp/to_scwrl_304461051.seq -o /var/tmp/from_scwrl_304461051.pdb > /var/tmp/scwrl_304461051.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_304461051.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 99 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1751989548.pdb -s /var/tmp/to_scwrl_1751989548.seq -o /var/tmp/from_scwrl_1751989548.pdb > /var/tmp/scwrl_1751989548.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1751989548.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS2-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS3.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1752860443.pdb -s /var/tmp/to_scwrl_1752860443.seq -o /var/tmp/from_scwrl_1752860443.pdb > /var/tmp/scwrl_1752860443.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1752860443.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 99 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1149304995.pdb -s /var/tmp/to_scwrl_1149304995.seq -o /var/tmp/from_scwrl_1149304995.pdb > /var/tmp/scwrl_1149304995.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1149304995.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 99 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_424949532.pdb -s /var/tmp/to_scwrl_424949532.seq -o /var/tmp/from_scwrl_424949532.pdb > /var/tmp/scwrl_424949532.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_424949532.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 T0327 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_223146900.pdb -s /var/tmp/to_scwrl_223146900.seq -o /var/tmp/from_scwrl_223146900.pdb > /var/tmp/scwrl_223146900.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_223146900.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 T0327 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1440919379.pdb -s /var/tmp/to_scwrl_1440919379.seq -o /var/tmp/from_scwrl_1440919379.pdb > /var/tmp/scwrl_1440919379.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1440919379.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 T0327 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 92 ; scwrl3 -i /var/tmp/to_scwrl_372509340.pdb -s /var/tmp/to_scwrl_372509340.seq -o /var/tmp/from_scwrl_372509340.pdb > /var/tmp/scwrl_372509340.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_372509340.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 T0327 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1283115496.pdb -s /var/tmp/to_scwrl_1283115496.seq -o /var/tmp/from_scwrl_1283115496.pdb > /var/tmp/scwrl_1283115496.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1283115496.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 T0327 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_524808494.pdb -s /var/tmp/to_scwrl_524808494.seq -o /var/tmp/from_scwrl_524808494.pdb > /var/tmp/scwrl_524808494.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_524808494.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 84 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_383904679.pdb -s /var/tmp/to_scwrl_383904679.seq -o /var/tmp/from_scwrl_383904679.pdb > /var/tmp/scwrl_383904679.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_383904679.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 86 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1900597537.pdb -s /var/tmp/to_scwrl_1900597537.seq -o /var/tmp/from_scwrl_1900597537.pdb > /var/tmp/scwrl_1900597537.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1900597537.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS2-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS3.pdb.gz looking for model 1 # Found a chain break before 73 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_823117237.pdb -s /var/tmp/to_scwrl_823117237.seq -o /var/tmp/from_scwrl_823117237.pdb > /var/tmp/scwrl_823117237.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_823117237.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS3-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS4.pdb.gz looking for model 1 # naming current conformation keasar-server_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1484199345.pdb -s /var/tmp/to_scwrl_1484199345.seq -o /var/tmp/from_scwrl_1484199345.pdb > /var/tmp/scwrl_1484199345.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1484199345.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS4-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS5.pdb.gz looking for model 1 # Found a chain break before 19 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1769861836.pdb -s /var/tmp/to_scwrl_1769861836.seq -o /var/tmp/from_scwrl_1769861836.pdb > /var/tmp/scwrl_1769861836.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1769861836.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 T0327 can't currently be optimized by undertaker # naming current conformation mGen-3D_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_447261625.pdb -s /var/tmp/to_scwrl_447261625.seq -o /var/tmp/from_scwrl_447261625.pdb > /var/tmp/scwrl_447261625.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_447261625.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 T0327 can't currently be optimized by undertaker # naming current conformation nFOLD_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1450004695.pdb -s /var/tmp/to_scwrl_1450004695.seq -o /var/tmp/from_scwrl_1450004695.pdb > /var/tmp/scwrl_1450004695.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1450004695.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 T0327 can't currently be optimized by undertaker # naming current conformation nFOLD_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_267983948.pdb -s /var/tmp/to_scwrl_267983948.seq -o /var/tmp/from_scwrl_267983948.pdb > /var/tmp/scwrl_267983948.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_267983948.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 T0327 can't currently be optimized by undertaker # naming current conformation nFOLD_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_294845345.pdb -s /var/tmp/to_scwrl_294845345.seq -o /var/tmp/from_scwrl_294845345.pdb > /var/tmp/scwrl_294845345.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_294845345.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 T0327 can't currently be optimized by undertaker # naming current conformation nFOLD_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_910463901.pdb -s /var/tmp/to_scwrl_910463901.seq -o /var/tmp/from_scwrl_910463901.pdb > /var/tmp/scwrl_910463901.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_910463901.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 T0327 can't currently be optimized by undertaker # naming current conformation nFOLD_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1321683507.pdb -s /var/tmp/to_scwrl_1321683507.seq -o /var/tmp/from_scwrl_1321683507.pdb > /var/tmp/scwrl_1321683507.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1321683507.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 T0327 can't currently be optimized by undertaker # naming current conformation panther2_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1719226384.pdb -s /var/tmp/to_scwrl_1719226384.seq -o /var/tmp/from_scwrl_1719226384.pdb > /var/tmp/scwrl_1719226384.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1719226384.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 T0327 can't currently be optimized by undertaker # naming current conformation shub_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1537384504.pdb -s /var/tmp/to_scwrl_1537384504.seq -o /var/tmp/from_scwrl_1537384504.pdb > /var/tmp/scwrl_1537384504.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1537384504.pdb # conformation set from SCWRL output # naming current conformation shub_TS1-scwrl # command:CPU_time= 33.035 sec, elapsed time= 222.473 sec) # command:# Prefix for output files set to decoys/ # command:# Will now start reporting costs to decoys/evaluate_1.rdb # command:# CostConform Warning: Couldn't open file decoys//projects/compbio/experiments/undertaker/spots/near-backbone-center.spot or decoys//projects/compbio/experiments/undertaker/spots/near-backbone-center.spot.gz for input Trying /projects/compbio/experiments/undertaker/spots/near-backbone-center.spot # Reading spots from /projects/compbio/experiments/undertaker/spots/near-backbone-center.spot shub_TS1-scwrl costs 0 real_cost = -36.0408 shub_TS1 costs 0 real_cost = -36.1525 panther2_TS1-scwrl costs 0 real_cost = 282.132 panther2_TS1 costs 0 real_cost = 299.708 nFOLD_TS5-scwrl costs 0 real_cost = 86.4879 nFOLD_TS5 costs 0 real_cost = 130.438 nFOLD_TS4-scwrl costs 0 real_cost = 5.38262 nFOLD_TS4 costs 0 real_cost = 51.5111 nFOLD_TS3-scwrl costs 0 real_cost = 34.16 nFOLD_TS3 costs 0 real_cost = 75.2302 nFOLD_TS2-scwrl costs 0 real_cost = -20.9777 nFOLD_TS2 costs 0 real_cost = 48.3101 nFOLD_TS1-scwrl costs 0 real_cost = 21.8452 nFOLD_TS1 costs 0 real_cost = 84.8859 mGen-3D_TS1-scwrl costs 0 real_cost = 24.2612 mGen-3D_TS1 costs 0 real_cost = 85.7178 keasar-server_TS5-scwrl costs 0 real_cost = 2.38604 keasar-server_TS5 costs 0 real_cost = 13.0111 keasar-server_TS4-scwrl costs 0 real_cost = -2.21137 keasar-server_TS4 costs 0 real_cost = 3.95518 keasar-server_TS3-scwrl costs 0 real_cost = 2.07844 keasar-server_TS3 costs 0 real_cost = 13.5558 keasar-server_TS2-scwrl costs 0 real_cost = 25.1719 keasar-server_TS2 costs 0 real_cost = 42.3032 keasar-server_TS1-scwrl costs 0 real_cost = -23.8519 keasar-server_TS1 costs 0 real_cost = 20.2524 karypis.srv_TS5-scwrl costs 0 real_cost = -19.3517 karypis.srv_TS5 costs 0 real_cost = -21.3517 karypis.srv_TS4-scwrl costs 0 real_cost = -1.95905 karypis.srv_TS4 costs 0 real_cost = -3.95905 karypis.srv_TS3-scwrl costs 0 real_cost = -10.5396 karypis.srv_TS3 costs 0 real_cost = -10.5396 karypis.srv_TS2-scwrl costs 0 real_cost = -64.1257 karypis.srv_TS2 costs 0 real_cost = -66.1257 karypis.srv_TS1-scwrl costs 0 real_cost = -59.9807 karypis.srv_TS1 costs 0 real_cost = -61.9807 karypis.srv.4_TS5-scwrl costs 0 real_cost = 272.264 karypis.srv.4_TS5 costs 0 real_cost = 272.266 karypis.srv.4_TS4-scwrl costs 0 real_cost = 272.024 karypis.srv.4_TS4 costs 0 real_cost = 272.086 karypis.srv.4_TS3-scwrl costs 0 real_cost = 268.514 karypis.srv.4_TS3 costs 0 real_cost = 268.514 karypis.srv.4_TS2-scwrl costs 0 real_cost = 220.771 karypis.srv.4_TS2 costs 0 real_cost = 220.771 karypis.srv.4_TS1-scwrl costs 0 real_cost = 203.989 karypis.srv.4_TS1 costs 0 real_cost = 203.989 karypis.srv.2_TS5-scwrl costs 0 real_cost = 47.9586 karypis.srv.2_TS5 costs 0 real_cost = 47.9586 karypis.srv.2_TS4-scwrl costs 0 real_cost = -35.2707 karypis.srv.2_TS4 costs 0 real_cost = -35.2707 karypis.srv.2_TS3-scwrl costs 0 real_cost = -38.15 karypis.srv.2_TS3 costs 0 real_cost = -38.15 karypis.srv.2_TS2-scwrl costs 0 real_cost = -23.0243 karypis.srv.2_TS2 costs 0 real_cost = -23.0243 karypis.srv.2_TS1-scwrl costs 0 real_cost = -63.5485 karypis.srv.2_TS1 costs 0 real_cost = -63.5485 gtg_AL2-scwrl costs 0 real_cost = 433.265 gtg_AL2 costs 0 real_cost = 454.928 gtg_AL1-scwrl costs 0 real_cost = 440.672 gtg_AL1 costs 0 real_cost = 453.218 forecast-s_AL5-scwrl costs 0 real_cost = 31.2527 forecast-s_AL5 costs 0 real_cost = 71.6696 forecast-s_AL4-scwrl costs 0 real_cost = 130.453 forecast-s_AL4 costs 0 real_cost = 209.829 forecast-s_AL3-scwrl costs 0 real_cost = 165.971 forecast-s_AL3 costs 0 real_cost = 228.346 forecast-s_AL2-scwrl costs 0 real_cost = 136.491 forecast-s_AL2 costs 0 real_cost = 157.427 forecast-s_AL1-scwrl costs 0 real_cost = 70.0525 forecast-s_AL1 costs 0 real_cost = 126.351 beautshotbase_TS1-scwrl costs 0 real_cost = -26.9421 beautshotbase_TS1 costs 0 real_cost = -29.0827 beautshot_TS1-scwrl costs 0 real_cost = -66.3191 beautshot_TS1 costs 0 real_cost = -54.6037 Zhang-Server_TS5-scwrl costs 0 real_cost = -116.631 Zhang-Server_TS5 costs 0 real_cost = -100.035 Zhang-Server_TS4-scwrl costs 0 real_cost = -72.1938 Zhang-Server_TS4 costs 0 real_cost = -63.8204 Zhang-Server_TS3-scwrl costs 0 real_cost = -83.0443 Zhang-Server_TS3 costs 0 real_cost = -80.1515 Zhang-Server_TS2-scwrl costs 0 real_cost = -108.26 Zhang-Server_TS2 costs 0 real_cost = -99.1393 Zhang-Server_TS1-scwrl costs 0 real_cost = -65.2658 Zhang-Server_TS1 costs 0 real_cost = -53.6324 UNI-EID_sfst_AL5-scwrl costs 0 real_cost = 99.6277 UNI-EID_sfst_AL5 costs 0 real_cost = 174.98 UNI-EID_sfst_AL4-scwrl costs 0 real_cost = 142.284 UNI-EID_sfst_AL4 costs 0 real_cost = 181.898 UNI-EID_sfst_AL3-scwrl costs 0 real_cost = 122.811 UNI-EID_sfst_AL3 costs 0 real_cost = 146.39 UNI-EID_sfst_AL2-scwrl costs 0 real_cost = 65.8664 UNI-EID_sfst_AL2 costs 0 real_cost = 147.544 UNI-EID_sfst_AL1-scwrl costs 0 real_cost = 157.933 UNI-EID_sfst_AL1 costs 0 real_cost = 177.219 UNI-EID_expm_TS1-scwrl costs 0 real_cost = 155.917 UNI-EID_bnmx_TS5-scwrl costs 0 real_cost = 74.1533 UNI-EID_bnmx_TS5 costs 0 real_cost = 133.428 UNI-EID_bnmx_TS4-scwrl costs 0 real_cost = 149.573 UNI-EID_bnmx_TS4 costs 0 real_cost = 194.131 UNI-EID_bnmx_TS3-scwrl costs 0 real_cost = 111.308 UNI-EID_bnmx_TS3 costs 0 real_cost = 165.316 UNI-EID_bnmx_TS2-scwrl costs 0 real_cost = 97.1882 UNI-EID_bnmx_TS2 costs 0 real_cost = 160.513 UNI-EID_bnmx_TS1-scwrl costs 0 real_cost = 145.108 UNI-EID_bnmx_TS1 costs 0 real_cost = 174.484 SPARKS2_TS5-scwrl costs 0 real_cost = 218.241 SPARKS2_TS5 costs 0 real_cost = 215.746 SPARKS2_TS4-scwrl costs 0 real_cost = 41.9608 SPARKS2_TS4 costs 0 real_cost = 37.8741 SPARKS2_TS3-scwrl costs 0 real_cost = -44.4027 SPARKS2_TS3 costs 0 real_cost = -44.1766 SPARKS2_TS2-scwrl costs 0 real_cost = -56.1893 SPARKS2_TS2 costs 0 real_cost = -61.0038 SPARKS2_TS1-scwrl costs 0 real_cost = -64.6099 SPARKS2_TS1 costs 0 real_cost = -65.641 SP4_TS5-scwrl costs 0 real_cost = 74.4099 SP4_TS5 costs 0 real_cost = 80.8993 SP4_TS4-scwrl costs 0 real_cost = 278.405 SP4_TS4 costs 0 real_cost = 274.389 SP4_TS3-scwrl costs 0 real_cost = -14.2076 SP4_TS3 costs 0 real_cost = -18.3088 SP4_TS2-scwrl costs 0 real_cost = -51.5661 SP4_TS2 costs 0 real_cost = -41.505 SP4_TS1-scwrl costs 0 real_cost = -74.1502 SP4_TS1 costs 0 real_cost = -75.8372 SP3_TS5-scwrl costs 0 real_cost = -44.8202 SP3_TS5 costs 0 real_cost = -43.4079 SP3_TS4-scwrl costs 0 real_cost = 28.5081 SP3_TS4 costs 0 real_cost = 32.8711 SP3_TS3-scwrl costs 0 real_cost = -27.5158 SP3_TS3 costs 0 real_cost = -25.189 SP3_TS2-scwrl costs 0 real_cost = -15.1684 SP3_TS2 costs 0 real_cost = -2.5756 SP3_TS1-scwrl costs 0 real_cost = -64.6099 SP3_TS1 costs 0 real_cost = -65.641 SAM_T06_server_TS5-scwrl costs 0 real_cost = 194.214 SAM_T06_server_TS5 costs 0 real_cost = 158.581 SAM_T06_server_TS4-scwrl costs 0 real_cost = -17.8819 SAM_T06_server_TS4 costs 0 real_cost = -23.4907 SAM_T06_server_TS3-scwrl costs 0 real_cost = 121.11 SAM_T06_server_TS3 costs 0 real_cost = 78.8561 SAM_T06_server_TS2-scwrl costs 0 real_cost = 108.237 SAM_T06_server_TS2 costs 0 real_cost = 107.394 SAM_T06_server_TS1-scwrl costs 0 real_cost = 53.83 SAM_T06_server_TS1 costs 0 real_cost = 61.745 SAM-T99_AL5-scwrl costs 0 real_cost = 35.7144 SAM-T99_AL5 costs 0 real_cost = 86.4285 SAM-T99_AL4-scwrl costs 0 real_cost = -37.173 SAM-T99_AL4 costs 0 real_cost = 32.6645 SAM-T99_AL3-scwrl costs 0 real_cost = 18.2808 SAM-T99_AL3 costs 0 real_cost = 65.2043 SAM-T99_AL2-scwrl costs 0 real_cost = 102.068 SAM-T99_AL2 costs 0 real_cost = 155.817 SAM-T99_AL1-scwrl costs 0 real_cost = 8.84855 SAM-T99_AL1 costs 0 real_cost = 64.941 SAM-T02_AL5-scwrl costs 0 real_cost = 120.976 SAM-T02_AL5 costs 0 real_cost = 157.415 SAM-T02_AL4-scwrl costs 0 real_cost = 74.8942 SAM-T02_AL4 costs 0 real_cost = 115.844 SAM-T02_AL3-scwrl costs 0 real_cost = 156.807 SAM-T02_AL3 costs 0 real_cost = 188.495 SAM-T02_AL2-scwrl costs 0 real_cost = 77.4112 SAM-T02_AL2 costs 0 real_cost = 123.267 SAM-T02_AL1-scwrl costs 0 real_cost = 147.664 SAM-T02_AL1 costs 0 real_cost = 164.933 ROKKY_TS5-scwrl costs 0 real_cost = 51.2804 ROKKY_TS5 costs 0 real_cost = 132.437 ROKKY_TS4-scwrl costs 0 real_cost = 38.2655 ROKKY_TS4 costs 0 real_cost = 123.769 ROKKY_TS3-scwrl costs 0 real_cost = 22.018 ROKKY_TS3 costs 0 real_cost = 107.859 ROKKY_TS2-scwrl costs 0 real_cost = 10.7646 ROKKY_TS2 costs 0 real_cost = 90.2822 ROKKY_TS1-scwrl costs 0 real_cost = 62.5002 ROKKY_TS1 costs 0 real_cost = 148.473 ROBETTA_TS5-scwrl costs 0 real_cost = -12.3668 ROBETTA_TS5 costs 0 real_cost = -2.16931 ROBETTA_TS4-scwrl costs 0 real_cost = -45.6558 ROBETTA_TS4 costs 0 real_cost = -44.1793 ROBETTA_TS3-scwrl costs 0 real_cost = -17.1963 ROBETTA_TS3 costs 0 real_cost = -17.87 ROBETTA_TS2-scwrl costs 0 real_cost = -13.2743 ROBETTA_TS2 costs 0 real_cost = -6.08103 ROBETTA_TS1-scwrl costs 0 real_cost = -28.2805 ROBETTA_TS1 costs 0 real_cost = -28.3006 RAPTOR_TS5-scwrl costs 0 real_cost = 7.88813 RAPTOR_TS5 costs 0 real_cost = 5.50632 RAPTOR_TS4-scwrl costs 0 real_cost = -47.5467 RAPTOR_TS4 costs 0 real_cost = -32.2473 RAPTOR_TS3-scwrl costs 0 real_cost = -2.98277 RAPTOR_TS3 costs 0 real_cost = -10.0146 RAPTOR_TS2-scwrl costs 0 real_cost = -52.9233 RAPTOR_TS2 costs 0 real_cost = -44.4565 RAPTOR_TS1-scwrl costs 0 real_cost = -23.4945 RAPTOR_TS1 costs 0 real_cost = -24.853 RAPTORESS_TS5-scwrl costs 0 real_cost = 17.8456 RAPTORESS_TS5 costs 0 real_cost = 13.3012 RAPTORESS_TS4-scwrl costs 0 real_cost = -4.24879 RAPTORESS_TS4 costs 0 real_cost = 4.46875 RAPTORESS_TS3-scwrl costs 0 real_cost = 18.554 RAPTORESS_TS3 costs 0 real_cost = 12.5123 RAPTORESS_TS2-scwrl costs 0 real_cost = -12.8527 RAPTORESS_TS2 costs 0 real_cost = -7.73153 RAPTORESS_TS1-scwrl costs 0 real_cost = -23.3907 RAPTORESS_TS1 costs 0 real_cost = -7.65894 RAPTOR-ACE_TS5-scwrl costs 0 real_cost = -46.8347 RAPTOR-ACE_TS5 costs 0 real_cost = -34.9665 RAPTOR-ACE_TS4-scwrl costs 0 real_cost = -76.342 RAPTOR-ACE_TS4 costs 0 real_cost = -73.2943 RAPTOR-ACE_TS3-scwrl costs 0 real_cost = -64.6099 RAPTOR-ACE_TS3 costs 0 real_cost = -65.641 RAPTOR-ACE_TS2-scwrl costs 0 real_cost = -71.6169 RAPTOR-ACE_TS2 costs 0 real_cost = -65.2791 RAPTOR-ACE_TS1-scwrl costs 0 real_cost = -44.8202 RAPTOR-ACE_TS1 costs 0 real_cost = -43.4079 Pmodeller6_TS5-scwrl costs 0 real_cost = -45.6558 Pmodeller6_TS5 costs 0 real_cost = -44.1793 Pmodeller6_TS4-scwrl costs 0 real_cost = -53.1588 Pmodeller6_TS4 costs 0 real_cost = -55.1964 Pmodeller6_TS3-scwrl costs 0 real_cost = -28.2805 Pmodeller6_TS3 costs 0 real_cost = -28.3006 Pmodeller6_TS2-scwrl costs 0 real_cost = -12.3668 Pmodeller6_TS2 costs 0 real_cost = -2.16931 Pmodeller6_TS1-scwrl costs 0 real_cost = -81.2737 Pmodeller6_TS1 costs 0 real_cost = -83.0737 Phyre-2_TS5-scwrl costs 0 real_cost = -8.47298 Phyre-2_TS5 costs 0 real_cost = -14.5996 Phyre-2_TS4-scwrl costs 0 real_cost = 4.02098 Phyre-2_TS4 costs 0 real_cost = 7.77155 Phyre-2_TS3-scwrl costs 0 real_cost = -13.9849 Phyre-2_TS3 costs 0 real_cost = -23.2127 Phyre-2_TS2-scwrl costs 0 real_cost = -44.3929 Phyre-2_TS2 costs 0 real_cost = -45.1477 Phyre-2_TS1-scwrl costs 0 real_cost = 4.02098 Phyre-2_TS1 costs 0 real_cost = 7.77155 Phyre-1_TS1-scwrl costs 0 real_cost = 105.469 Phyre-1_TS1 costs 0 real_cost = 101.639 Pcons6_TS5-scwrl costs 0 real_cost = -18.039 Pcons6_TS5 costs 0 real_cost = -22.439 Pcons6_TS4-scwrl costs 0 real_cost = 92.4862 Pcons6_TS4 costs 0 real_cost = 88.8862 Pcons6_TS3-scwrl costs 0 real_cost = -91.274 Pcons6_TS3 costs 0 real_cost = -92.874 Pcons6_TS2-scwrl costs 0 real_cost = -66.3313 Pcons6_TS2 costs 0 real_cost = -69.5313 Pcons6_TS1-scwrl costs 0 real_cost = -70.1305 Pcons6_TS1 costs 0 real_cost = -72.1305 PROTINFO_TS5-scwrl costs 0 real_cost = -42.7749 PROTINFO_TS5 costs 0 real_cost = -45.8733 PROTINFO_TS4-scwrl costs 0 real_cost = -38.2457 PROTINFO_TS4 costs 0 real_cost = -37.5868 PROTINFO_TS3-scwrl costs 0 real_cost = -66.2658 PROTINFO_TS3 costs 0 real_cost = -56.5393 PROTINFO_TS2-scwrl costs 0 real_cost = -61.2217 PROTINFO_TS2 costs 0 real_cost = -56.6084 PROTINFO_TS1-scwrl costs 0 real_cost = -43.2051 PROTINFO_TS1 costs 0 real_cost = -42.7091 PROTINFO-AB_TS5-scwrl costs 0 real_cost = -55.0439 PROTINFO-AB_TS5 costs 0 real_cost = -66.9033 PROTINFO-AB_TS4-scwrl costs 0 real_cost = -62.6867 PROTINFO-AB_TS4 costs 0 real_cost = -64.2167 PROTINFO-AB_TS3-scwrl costs 0 real_cost = -58.8946 PROTINFO-AB_TS3 costs 0 real_cost = -66.605 PROTINFO-AB_TS2-scwrl costs 0 real_cost = -59.9273 PROTINFO-AB_TS2 costs 0 real_cost = -65.4483 PROTINFO-AB_TS1-scwrl costs 0 real_cost = -62.6518 PROTINFO-AB_TS1 costs 0 real_cost = -76.304 POMYSL_TS5-scwrl costs 0 real_cost = 238.639 POMYSL_TS5 costs 0 real_cost = 248.555 POMYSL_TS4-scwrl costs 0 real_cost = 181.406 POMYSL_TS4 costs 0 real_cost = 214.038 POMYSL_TS3-scwrl costs 0 real_cost = 264.989 POMYSL_TS3 costs 0 real_cost = 261.005 POMYSL_TS2-scwrl costs 0 real_cost = 164.527 POMYSL_TS2 costs 0 real_cost = 187.156 POMYSL_TS1-scwrl costs 0 real_cost = 211.561 POMYSL_TS1 costs 0 real_cost = 227.417 NN_PUT_lab_TS1-scwrl costs 0 real_cost = -64.6099 NN_PUT_lab_TS1 costs 0 real_cost = -65.641 MetaTasser_TS5-scwrl costs 0 real_cost = -58.4414 MetaTasser_TS5 costs 0 real_cost = -53.6184 MetaTasser_TS4-scwrl costs 0 real_cost = -32.8853 MetaTasser_TS4 costs 0 real_cost = -31.2985 MetaTasser_TS3-scwrl costs 0 real_cost = -67.6727 MetaTasser_TS3 costs 0 real_cost = -59.3213 MetaTasser_TS2-scwrl costs 0 real_cost = -39.8155 MetaTasser_TS2 costs 0 real_cost = -41.218 MetaTasser_TS1-scwrl costs 0 real_cost = -61.3269 MetaTasser_TS1 costs 0 real_cost = -58.2495 Ma-OPUS-server_TS5-scwrl costs 0 real_cost = 262.378 Ma-OPUS-server_TS5 costs 0 real_cost = 266.852 Ma-OPUS-server_TS4-scwrl costs 0 real_cost = 77.7324 Ma-OPUS-server_TS4 costs 0 real_cost = 78.1345 Ma-OPUS-server_TS3-scwrl costs 0 real_cost = 196.459 Ma-OPUS-server_TS3 costs 0 real_cost = 197.837 Ma-OPUS-server_TS2-scwrl costs 0 real_cost = 25.8766 Ma-OPUS-server_TS2 costs 0 real_cost = 45.1144 Ma-OPUS-server_TS1-scwrl costs 0 real_cost = -92.7117 Ma-OPUS-server_TS1 costs 0 real_cost = -89.2563 Ma-OPUS-server2_TS5-scwrl costs 0 real_cost = 262.378 Ma-OPUS-server2_TS5 costs 0 real_cost = 266.852 Ma-OPUS-server2_TS4-scwrl costs 0 real_cost = 84.5465 Ma-OPUS-server2_TS4 costs 0 real_cost = 91.488 Ma-OPUS-server2_TS3-scwrl costs 0 real_cost = 196.459 Ma-OPUS-server2_TS3 costs 0 real_cost = 197.837 Ma-OPUS-server2_TS2-scwrl costs 0 real_cost = -58.9627 Ma-OPUS-server2_TS2 costs 0 real_cost = -49.3465 Ma-OPUS-server2_TS1-scwrl costs 0 real_cost = -70.0989 Ma-OPUS-server2_TS1 costs 0 real_cost = -61.6113 MIG_FROST_AL1-scwrl costs 0 real_cost = 215.928 MIG_FROST_AL1 costs 0 real_cost = 215.928 LOOPP_TS5 costs 0 real_cost = 206.805 LOOPP_TS4-scwrl costs 0 real_cost = 210.023 LOOPP_TS4 costs 0 real_cost = 201.712 LOOPP_TS3-scwrl costs 0 real_cost = -1.20854 LOOPP_TS3 costs 0 real_cost = -0.0717539 LOOPP_TS2-scwrl costs 0 real_cost = 10.0414 LOOPP_TS2 costs 0 real_cost = 22.3602 LOOPP_TS1-scwrl costs 0 real_cost = -20.0618 LOOPP_TS1 costs 0 real_cost = -23.8052 Huber-Torda-Server_TS5-scwrl costs 0 real_cost = 189.819 Huber-Torda-Server_TS5 costs 0 real_cost = 233.126 Huber-Torda-Server_TS4-scwrl costs 0 real_cost = 239.071 Huber-Torda-Server_TS4 costs 0 real_cost = 252.469 Huber-Torda-Server_TS3-scwrl costs 0 real_cost = 206.467 Huber-Torda-Server_TS3 costs 0 real_cost = 256.504 Huber-Torda-Server_TS2-scwrl costs 0 real_cost = 119.504 Huber-Torda-Server_TS2 costs 0 real_cost = 138.55 Huber-Torda-Server_TS1-scwrl costs 0 real_cost = 43.4829 Huber-Torda-Server_TS1 costs 0 real_cost = 79.3506 HHpred3_TS1-scwrl costs 0 real_cost = -47.5134 HHpred3_TS1 costs 0 real_cost = -45.5941 HHpred2_TS1-scwrl costs 0 real_cost = -47.5134 HHpred2_TS1 costs 0 real_cost = -45.5941 HHpred1_TS1-scwrl costs 0 real_cost = -68.0386 HHpred1_TS1 costs 0 real_cost = -60.8523 GeneSilicoMetaServer_TS5-scwrl costs 0 real_cost = -67.5317 GeneSilicoMetaServer_TS5 costs 0 real_cost = -63.0477 GeneSilicoMetaServer_TS4-scwrl costs 0 real_cost = 83.1483 GeneSilicoMetaServer_TS4 costs 0 real_cost = 90.7615 GeneSilicoMetaServer_TS3-scwrl costs 0 real_cost = -33.9738 GeneSilicoMetaServer_TS3 costs 0 real_cost = -42.9599 GeneSilicoMetaServer_TS2-scwrl costs 0 real_cost = -6.20598 GeneSilicoMetaServer_TS2 costs 0 real_cost = -3.02089 GeneSilicoMetaServer_TS1-scwrl costs 0 real_cost = -93.6605 GeneSilicoMetaServer_TS1 costs 0 real_cost = -88.6797 FUNCTION_TS5-scwrl costs 0 real_cost = -9.52922 FUNCTION_TS5 costs 0 real_cost = 1.67569 FUNCTION_TS4-scwrl costs 0 real_cost = 19.7092 FUNCTION_TS4 costs 0 real_cost = 20.9179 FUNCTION_TS3-scwrl costs 0 real_cost = -4.23251 FUNCTION_TS3 costs 0 real_cost = 5.52568 FUNCTION_TS2-scwrl costs 0 real_cost = 79.6181 FUNCTION_TS2 costs 0 real_cost = 82.769 FUNCTION_TS1-scwrl costs 0 real_cost = -31.9764 FUNCTION_TS1 costs 0 real_cost = -29.4253 FUGUE_AL5-scwrl costs 0 real_cost = 266.835 FUGUE_AL5 costs 0 real_cost = 266.835 FUGUE_AL4-scwrl costs 0 real_cost = 229.098 FUGUE_AL4 costs 0 real_cost = 291.807 FUGUE_AL3-scwrl costs 0 real_cost = -89.372 FUGUE_AL3 costs 0 real_cost = -14.3563 FUGUE_AL2-scwrl costs 0 real_cost = 175.208 FUGUE_AL2 costs 0 real_cost = 246.222 FUGUE_AL1-scwrl costs 0 real_cost = 216.031 FUGUE_AL1 costs 0 real_cost = 293.18 FUGMOD_TS5-scwrl costs 0 real_cost = 166.282 FUGMOD_TS5 costs 0 real_cost = 169.594 FUGMOD_TS4-scwrl costs 0 real_cost = 192.109 FUGMOD_TS4 costs 0 real_cost = 195.675 FUGMOD_TS3-scwrl costs 0 real_cost = -58.0344 FUGMOD_TS3 costs 0 real_cost = -45.2929 FUGMOD_TS2-scwrl costs 0 real_cost = 142.209 FUGMOD_TS2 costs 0 real_cost = 156.881 FUGMOD_TS1-scwrl costs 0 real_cost = 205.777 FUGMOD_TS1 costs 0 real_cost = 205.332 FPSOLVER-SERVER_TS5-scwrl costs 0 real_cost = 218.573 FPSOLVER-SERVER_TS5 costs 0 real_cost = 224.395 FPSOLVER-SERVER_TS4-scwrl costs 0 real_cost = 185.249 FPSOLVER-SERVER_TS4 costs 0 real_cost = 189.838 FPSOLVER-SERVER_TS3-scwrl costs 0 real_cost = 165.882 FPSOLVER-SERVER_TS3 costs 0 real_cost = 163.874 FPSOLVER-SERVER_TS2-scwrl costs 0 real_cost = 193.162 FPSOLVER-SERVER_TS2 costs 0 real_cost = 200.908 FPSOLVER-SERVER_TS1-scwrl costs 0 real_cost = 233.859 FPSOLVER-SERVER_TS1 costs 0 real_cost = 235.476 FORTE2_AL5-scwrl costs 0 real_cost = 268.345 FORTE2_AL5 costs 0 real_cost = 334.483 FORTE2_AL4-scwrl costs 0 real_cost = 44.1228 FORTE2_AL4 costs 0 real_cost = 135.689 FORTE2_AL3-scwrl costs 0 real_cost = 3.08912 FORTE2_AL3 costs 0 real_cost = 57.3308 FORTE2_AL2-scwrl costs 0 real_cost = 105.381 FORTE2_AL2 costs 0 real_cost = 151.257 FORTE2_AL1-scwrl costs 0 real_cost = 326.668 FORTE2_AL1 costs 0 real_cost = 404.729 FORTE1_AL5-scwrl costs 0 real_cost = 268.345 FORTE1_AL5 costs 0 real_cost = 334.483 FORTE1_AL4-scwrl costs 0 real_cost = 44.1228 FORTE1_AL4 costs 0 real_cost = 135.689 FORTE1_AL3-scwrl costs 0 real_cost = 105.381 FORTE1_AL3 costs 0 real_cost = 151.257 FORTE1_AL2-scwrl costs 0 real_cost = 326.668 FORTE1_AL2 costs 0 real_cost = 404.729 FORTE1_AL1-scwrl costs 0 real_cost = 67.8547 FORTE1_AL1 costs 0 real_cost = 120.753 FOLDpro_TS5-scwrl costs 0 real_cost = -4.36852 FOLDpro_TS5 costs 0 real_cost = 1.01191 FOLDpro_TS4-scwrl costs 0 real_cost = 157.261 FOLDpro_TS4 costs 0 real_cost = 162.257 FOLDpro_TS3-scwrl costs 0 real_cost = 126.83 FOLDpro_TS3 costs 0 real_cost = 130.762 FOLDpro_TS2-scwrl costs 0 real_cost = -112.572 FOLDpro_TS2 costs 0 real_cost = -98.1116 FOLDpro_TS1-scwrl costs 0 real_cost = -21.0905 FOLDpro_TS1 costs 0 real_cost = -15.8487 FAMS_TS5-scwrl costs 0 real_cost = -22.8985 FAMS_TS5 costs 0 real_cost = -17.2128 FAMS_TS4-scwrl costs 0 real_cost = -63.227 FAMS_TS4 costs 0 real_cost = -58.5521 FAMS_TS3-scwrl costs 0 real_cost = -73.8168 FAMS_TS3 costs 0 real_cost = -65.8994 FAMS_TS2-scwrl costs 0 real_cost = -62.9621 FAMS_TS2 costs 0 real_cost = -67.8925 FAMS_TS1-scwrl costs 0 real_cost = -3.47071 FAMS_TS1 costs 0 real_cost = 13.3604 FAMSD_TS5-scwrl costs 0 real_cost = -24.6179 FAMSD_TS5 costs 0 real_cost = -29.258 FAMSD_TS4-scwrl costs 0 real_cost = 26.2793 FAMSD_TS4 costs 0 real_cost = 26.3041 FAMSD_TS3-scwrl costs 0 real_cost = -22.8985 FAMSD_TS3 costs 0 real_cost = -17.2128 FAMSD_TS2-scwrl costs 0 real_cost = 33.9182 FAMSD_TS2 costs 0 real_cost = 38.6862 FAMSD_TS1-scwrl costs 0 real_cost = -17.6561 FAMSD_TS1 costs 0 real_cost = -1.2628 Distill_TS5-scwrl costs 0 real_cost = 293.626 Distill_TS4-scwrl costs 0 real_cost = 299.414 Distill_TS3-scwrl costs 0 real_cost = 301.725 Distill_TS2-scwrl costs 0 real_cost = 302.686 Distill_TS1-scwrl costs 0 real_cost = 302.357 CaspIta-FOX_TS5-scwrl costs 0 real_cost = 85.9521 CaspIta-FOX_TS5 costs 0 real_cost = 83.1996 CaspIta-FOX_TS4-scwrl costs 0 real_cost = -41.4303 CaspIta-FOX_TS4 costs 0 real_cost = -46.017 CaspIta-FOX_TS3-scwrl costs 0 real_cost = -65.4944 CaspIta-FOX_TS3 costs 0 real_cost = -68.2431 CaspIta-FOX_TS2-scwrl costs 0 real_cost = 1.35226 CaspIta-FOX_TS2 costs 0 real_cost = -5.16282 CaspIta-FOX_TS1-scwrl costs 0 real_cost = 41.7854 CaspIta-FOX_TS1 costs 0 real_cost = 31.0689 CIRCLE_TS5-scwrl costs 0 real_cost = 33.9182 CIRCLE_TS5 costs 0 real_cost = 38.6862 CIRCLE_TS4-scwrl costs 0 real_cost = -52.3336 CIRCLE_TS4 costs 0 real_cost = -45.7053 CIRCLE_TS3-scwrl costs 0 real_cost = -63.227 CIRCLE_TS3 costs 0 real_cost = -58.5521 CIRCLE_TS2-scwrl costs 0 real_cost = -73.8168 CIRCLE_TS2 costs 0 real_cost = -65.8994 CIRCLE_TS1-scwrl costs 0 real_cost = -62.9621 CIRCLE_TS1 costs 0 real_cost = -67.8925 Bilab-ENABLE_TS5-scwrl costs 0 real_cost = -78.1538 Bilab-ENABLE_TS5 costs 0 real_cost = -78.1538 Bilab-ENABLE_TS4-scwrl costs 0 real_cost = -78.1538 Bilab-ENABLE_TS4 costs 0 real_cost = -78.1538 Bilab-ENABLE_TS3-scwrl costs 0 real_cost = -78.1538 Bilab-ENABLE_TS3 costs 0 real_cost = -78.1538 Bilab-ENABLE_TS2-scwrl costs 0 real_cost = 149.953 Bilab-ENABLE_TS2 costs 0 real_cost = 152.185 Bilab-ENABLE_TS1-scwrl costs 0 real_cost = 176.019 Bilab-ENABLE_TS1 costs 0 real_cost = 176.019 BayesHH_TS1-scwrl costs 0 real_cost = -47.5134 BayesHH_TS1 costs 0 real_cost = -45.5941 ABIpro_TS5-scwrl costs 0 real_cost = 107.888 ABIpro_TS5 costs 0 real_cost = 107.888 ABIpro_TS4-scwrl costs 0 real_cost = 163.66 ABIpro_TS4 costs 0 real_cost = 166.471 ABIpro_TS3-scwrl costs 0 real_cost = 104.773 ABIpro_TS3 costs 0 real_cost = 104.773 ABIpro_TS2-scwrl costs 0 real_cost = 103.809 ABIpro_TS2 costs 0 real_cost = 103.929 ABIpro_TS1-scwrl costs 0 real_cost = 126.606 ABIpro_TS1 costs 0 real_cost = 125.015 3Dpro_TS5-scwrl costs 0 real_cost = 126.606 3Dpro_TS5 costs 0 real_cost = 125.015 3Dpro_TS4-scwrl costs 0 real_cost = 127.86 3Dpro_TS4 costs 0 real_cost = 125.143 3Dpro_TS3-scwrl costs 0 real_cost = 51.978 3Dpro_TS3 costs 0 real_cost = 68.3487 3Dpro_TS2-scwrl costs 0 real_cost = 135.564 3Dpro_TS2 costs 0 real_cost = 142.58 3Dpro_TS1-scwrl costs 0 real_cost = -20.7324 3Dpro_TS1 costs 0 real_cost = -19.8766 3D-JIGSAW_TS5-scwrl costs 0 real_cost = 36.3613 3D-JIGSAW_TS5 costs 0 real_cost = 43.699 3D-JIGSAW_TS4-scwrl costs 0 real_cost = 236.409 3D-JIGSAW_TS4 costs 0 real_cost = 233.523 3D-JIGSAW_TS3-scwrl costs 0 real_cost = 49.6341 3D-JIGSAW_TS3 costs 0 real_cost = 58.7134 3D-JIGSAW_TS2-scwrl costs 0 real_cost = 77.1398 3D-JIGSAW_TS2 costs 0 real_cost = 85.8682 3D-JIGSAW_TS1-scwrl costs 0 real_cost = 93.6079 3D-JIGSAW_TS1 costs 0 real_cost = 97.1645 3D-JIGSAW_RECOM_TS5-scwrl costs 0 real_cost = 7.44059 3D-JIGSAW_RECOM_TS5 costs 0 real_cost = 8.98705 3D-JIGSAW_RECOM_TS4-scwrl costs 0 real_cost = 50.3781 3D-JIGSAW_RECOM_TS4 costs 0 real_cost = 52.8703 3D-JIGSAW_RECOM_TS3-scwrl costs 0 real_cost = -17.1022 3D-JIGSAW_RECOM_TS3 costs 0 real_cost = -14.2697 3D-JIGSAW_RECOM_TS2-scwrl costs 0 real_cost = -15.4176 3D-JIGSAW_RECOM_TS2 costs 0 real_cost = -14.7668 3D-JIGSAW_RECOM_TS1-scwrl costs 0 real_cost = 44.1321 3D-JIGSAW_RECOM_TS1 costs 0 real_cost = 51.3299 3D-JIGSAW_POPULUS_TS5-scwrl costs 0 real_cost = 97.3842 3D-JIGSAW_POPULUS_TS5 costs 0 real_cost = 95.3842 3D-JIGSAW_POPULUS_TS4-scwrl costs 0 real_cost = 1.63836 3D-JIGSAW_POPULUS_TS4 costs 0 real_cost = -0.361644 3D-JIGSAW_POPULUS_TS3-scwrl costs 0 real_cost = 2.58338 3D-JIGSAW_POPULUS_TS3 costs 0 real_cost = 0.583382 3D-JIGSAW_POPULUS_TS2-scwrl costs 0 real_cost = 51.5841 3D-JIGSAW_POPULUS_TS2 costs 0 real_cost = 49.5841 3D-JIGSAW_POPULUS_TS1-scwrl costs 0 real_cost = 2.90131 3D-JIGSAW_POPULUS_TS1 costs 0 real_cost = 0.901308 dimer//dimer3-1tbxA-dimer6 costs 0 real_cost = 20.0771 dimer//dimer2-1tbxA-dimer6 costs 0 real_cost = 20.0549 dimer//dimer1-1tbxA-dimer6 costs 0 real_cost = 20.0783 dimer//dimer-1ub9A-dimer11 costs 0 real_cost = 29.8499 dimer//dimer-1tbxA-try1-opt2 costs 0 real_cost = -5.05487 dimer//dimer-1tbxA-try1-opt2-proteinshop costs 0 real_cost = 15.3653 dimer//try9-opt2.unpack costs 0 real_cost = 30.8313 dimer//try9-opt2.unpack.gromacs0.repack-nonPC costs 0 real_cost = 23.4435 dimer//try9-opt2.unpack.gromacs0 costs 0 real_cost = 32.944 dimer//try9-opt2.repack-nonPC costs 0 real_cost = 25.9752 dimer//try9-opt2 costs 0 real_cost = 30.8313 dimer//try9-opt2.gromacs0 costs 0 real_cost = 32.0198 dimer//try9-opt1 costs 0 real_cost = 31.2699 dimer//try9-opt1-scwrl costs 0 real_cost = 28.429 dimer//try8-opt2.unpack costs 0 real_cost = 28.839 dimer//try8-opt2.unpack.gromacs0.repack-nonPC costs 0 real_cost = 24.7867 dimer//try8-opt2.unpack.gromacs0 costs 0 real_cost = 27.6689 dimer//try8-opt2.repack-nonPC costs 0 real_cost = 27.3943 dimer//try8-opt2 costs 0 real_cost = 28.839 dimer//try8-opt2.gromacs0 costs 0 real_cost = 28.6772 dimer//try8-opt1 costs 0 real_cost = 27.3711 dimer//try8-opt1-scwrl costs 0 real_cost = 25.7635 dimer//try7-opt2.unpack costs 0 real_cost = 25.0551 dimer//try7-opt2.unpack.gromacs0.repack-nonPC costs 0 real_cost = 19.7455 dimer//try7-opt2.unpack.gromacs0 costs 0 real_cost = 22.5127 dimer//try7-opt2.repack-nonPC costs 0 real_cost = 23.0468 dimer//try7-opt2 costs 0 real_cost = 25.0551 dimer//try7-opt2.gromacs0 costs 0 real_cost = 32.1507 dimer//try7-opt1 costs 0 real_cost = 24.201 dimer//try7-opt1-scwrl costs 0 real_cost = 20.9509 dimer//try6-opt2.unpack costs 0 real_cost = 20.0665 dimer//try6-opt2.unpack.gromacs0.repack-nonPC costs 0 real_cost = 15.1446 dimer//try6-opt2.unpack.gromacs0 costs 0 real_cost = 17.2923 dimer//try6-opt2.repack-nonPC costs 0 real_cost = 18.8147 dimer//try6-opt2 costs 0 real_cost = 20.0665 dimer//try6-opt2.gromacs0 costs 0 real_cost = 18.3391 dimer//try6-opt1 costs 0 real_cost = 21.795 dimer//try6-opt1-scwrl costs 0 real_cost = 20.8928 dimer//try5-opt2.unpack costs 0 real_cost = 17.1231 dimer//try5-opt2.unpack.gromacs0.repack-nonPC costs 0 real_cost = 9.79794 dimer//try5-opt2.unpack.gromacs0 costs 0 real_cost = 21.9823 dimer//try5-opt2.repack-nonPC costs 0 real_cost = 18.8947 dimer//try5-opt2 costs 0 real_cost = 17.1231 dimer//try5-opt2.gromacs0 costs 0 real_cost = 21.8101 dimer//try5-opt1 costs 0 real_cost = 16.4515 dimer//try5-opt1-scwrl costs 0 real_cost = 16.5505 dimer//try4-opt2.unpack costs 0 real_cost = 18.7302 dimer//try4-opt2.unpack.gromacs0.repack-nonPC costs 0 real_cost = 15.1923 dimer//try4-opt2.unpack.gromacs0 costs 0 real_cost = 14.0688 dimer//try4-opt2.repack-nonPC costs 0 real_cost = 19.293 dimer//try4-opt2 costs 0 real_cost = 18.7302 dimer//try4-opt2.gromacs0 costs 0 real_cost = 16.1364 dimer//try4-opt1 costs 0 real_cost = 22.0614 dimer//try4-opt1-scwrl costs 0 real_cost = 22.5038 dimer//try3-opt2.unpack costs 0 real_cost = -3.80122 dimer//try3-opt2.unpack.gromacs0.repack-nonPC costs 0 real_cost = -6.4698 dimer//try3-opt2.unpack.gromacs0 costs 0 real_cost = -8.32947 dimer//try3-opt2.repack-nonPC costs 0 real_cost = -3.48974 dimer//try3-opt2 costs 0 real_cost = -3.80122 dimer//try3-opt2.gromacs0 costs 0 real_cost = -9.36313 dimer//try3-opt1 costs 0 real_cost = -3.69933 dimer//try3-opt1-scwrl costs 0 real_cost = -1.50916 dimer//try2-opt2.unpack costs 0 real_cost = 95.5864 dimer//try2-opt2.unpack.gromacs0.repack-nonPC costs 0 real_cost = 97.4014 dimer//try2-opt2.unpack.gromacs0 costs 0 real_cost = 92.7752 dimer//try2-opt2.repack-nonPC costs 0 real_cost = 96.0937 dimer//try2-opt2 costs 0 real_cost = 95.5864 dimer//try2-opt2.gromacs0 costs 0 real_cost = 94.3468 dimer//try2-opt1 costs 0 real_cost = 96.8335 dimer//try2-opt1-scwrl costs 0 real_cost = 98.9457 dimer//try15-opt2.unpack costs 0 real_cost = 28.1131 dimer//try15-opt2.unpack.gromacs0.repack-nonPC costs 0 real_cost = 23.4107 dimer//try15-opt2.unpack.gromacs0 costs 0 real_cost = 26.1869 dimer//try15-opt2.repack-nonPC costs 0 real_cost = 26.3595 dimer//try15-opt2 costs 0 real_cost = 28.1131 dimer//try15-opt1 costs 0 real_cost = 26.0797 dimer//try15-opt1-scwrl costs 0 real_cost = 26.5685 dimer//try14-opt2.unpack costs 0 real_cost = 30.8918 dimer//try14-opt2.unpack.gromacs0.repack-nonPC costs 0 real_cost = 30.0537 dimer//try14-opt2.unpack.gromacs0 costs 0 real_cost = 31.5825 dimer//try14-opt2.repack-nonPC costs 0 real_cost = 26.8851 dimer//try14-opt2 costs 0 real_cost = 30.8918 dimer//try14-opt2.gromacs0 costs 0 real_cost = 33.644 dimer//try14-opt1 costs 0 real_cost = 30.0577 dimer//try14-opt1-scwrl costs 0 real_cost = 28.3901 dimer//try13-opt2.unpack costs 0 real_cost = 13.903 dimer//try13-opt2.unpack.gromacs0.repack-nonPC costs 0 real_cost = 6.68823 dimer//try13-opt2.unpack.gromacs0 costs 0 real_cost = 9.68464 dimer//try13-opt2.repack-nonPC costs 0 real_cost = 9.68246 dimer//try13-opt2 costs 0 real_cost = 13.903 dimer//try13-opt2.gromacs0 costs 0 real_cost = 12.2828 dimer//try13-opt1 costs 0 real_cost = 14.2894 dimer//try13-opt1-scwrl costs 0 real_cost = 10.3299 dimer//try12-opt2.unpack costs 0 real_cost = 11.2169 dimer//try12-opt2.unpack.gromacs0.repack-nonPC costs 0 real_cost = 9.56525 dimer//try12-opt2.unpack.gromacs0 costs 0 real_cost = 10.8933 dimer//try12-opt2.repack-nonPC costs 0 real_cost = 7.62613 dimer//try12-opt2 costs 0 real_cost = 11.2169 dimer//try12-opt2.gromacs0 costs 0 real_cost = 13.6191 dimer//try12-opt1 costs 0 real_cost = 13.6113 dimer//try12-opt1-scwrl costs 0 real_cost = 10.8169 dimer//try11-opt2.unpack costs 0 real_cost = 30.1699 dimer//try11-opt2.unpack.gromacs0.repack-nonPC costs 0 real_cost = 24.7418 dimer//try11-opt2.unpack.gromacs0 costs 0 real_cost = 29.2956 dimer//try11-opt2.repack-nonPC costs 0 real_cost = 24.9204 dimer//try11-opt2 costs 0 real_cost = 30.1699 dimer//try11-opt2.gromacs0 costs 0 real_cost = 30.5699 dimer//try11-opt1 costs 0 real_cost = 30.1577 dimer//try11-opt1-scwrl costs 0 real_cost = 24.999 dimer//try10-opt2.unpack costs 0 real_cost = 31.6591 dimer//try10-opt2.unpack.gromacs0.repack-nonPC costs 0 real_cost = 25.7272 dimer//try10-opt2.unpack.gromacs0 costs 0 real_cost = 35.5329 dimer//try10-opt2.repack-nonPC costs 0 real_cost = 24.2862 dimer//try10-opt2 costs 0 real_cost = 31.6591 dimer//try10-opt2.gromacs0 costs 0 real_cost = 36.7327 dimer//try10-opt1 costs 0 real_cost = 30.0786 dimer//try10-opt1-scwrl costs 0 real_cost = 24.7975 dimer//try1-opt2.unpack costs 0 real_cost = 77.3819 dimer//try1-opt2.unpack.gromacs0.repack-nonPC costs 0 real_cost = 80.1456 dimer//try1-opt2.unpack.gromacs0 costs 0 real_cost = 79.4136 dimer//try1-opt2.repack-nonPC costs 0 real_cost = 80.325 dimer//try1-opt2 costs 0 real_cost = 77.3819 dimer//try1-opt2.gromacs0 costs 0 real_cost = 80.1349 dimer//try1-opt1 costs 0 real_cost = 86.3638 dimer//try1-opt1-scwrl costs 0 real_cost = 80.6595 T0327.try4-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 41.9176 T0327.try4-opt2.pdb.gz costs 0 real_cost = 45.8474 T0327.try4-opt2.gromacs0.pdb.gz costs 0 real_cost = 46.2651 T0327.try4-opt1.pdb.gz costs 0 real_cost = 38.5757 T0327.try4-opt1-scwrl.pdb.gz costs 0 real_cost = 39.4056 T0327.try3-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 83.5423 T0327.try3-opt2.pdb.gz costs 0 real_cost = 81.2981 T0327.try3-opt2.gromacs0.pdb.gz costs 0 real_cost = 79.6439 T0327.try3-opt1.pdb.gz costs 0 real_cost = 80.0803 T0327.try3-opt1-scwrl.pdb.gz costs 0 real_cost = 77.6176 T0327.try2-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -11.185 T0327.try2-opt2.pdb.gz costs 0 real_cost = -7.40696 T0327.try2-opt2.gromacs0.pdb.gz costs 0 real_cost = -6.83098 T0327.try2-opt1.pdb.gz costs 0 real_cost = -7.37116 T0327.try2-opt1-scwrl.pdb.gz costs 0 real_cost = -7.38925 T0327.try1-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -2.01367 T0327.try1-opt2.pdb.gz costs 0 real_cost = -5.0458 T0327.try1-opt2.gromacs0.pdb.gz costs 0 real_cost = -5.96059 T0327.try1-opt2-proteinshop.pdb.gz costs 0 real_cost = 15.375 T0327.try1-opt2-proteinshop-2.pdb.gz costs 0 real_cost = 15.375 T0327.try1-opt1.pdb.gz costs 0 real_cost = -3.61773 T0327.try1-opt1-scwrl.pdb.gz costs 0 real_cost = -3.32304 ../model5.ts-submitted costs 0 real_cost = -29.086 ../model4.ts-submitted costs 0 real_cost = -7.18743 ../model3.ts-submitted costs 0 real_cost = 46.577 ../model2.ts-submitted costs 0 real_cost = 13.8761 ../model1.ts-submitted costs 0 real_cost = 30.9044 align5 costs 0 real_cost = 61.2526 align4 costs 0 real_cost = -14.5865 align3 costs 0 real_cost = -8.18731 align2 costs 0 real_cost = -19.5595 align1 costs 0 real_cost = -0.812491 T0327.try1-opt2.pdb costs 0 real_cost = -5.0458 model5-scwrl costs 0 real_cost = -25.2415 model5.ts-submitted costs 0 real_cost = -29.086 model4-scwrl costs 0 real_cost = 7.00895 model4.ts-submitted costs 0 real_cost = -7.18743 model3-scwrl costs 0 real_cost = 44.2536 model3.ts-submitted costs 0 real_cost = 46.577 model2-scwrl costs 0 real_cost = 11.5072 model2.ts-submitted costs 0 real_cost = 13.8761 model1-scwrl costs 0 real_cost = 28.5254 model1.ts-submitted costs 0 real_cost = 30.9044 T0327_1.real.pdb costs 0 real_cost = -842.8 # command:CPU_time= 138.977 sec, elapsed time= 328.5 sec) # command:rm -f sort.tmp /projects/compbio/bin/sorttbl real_cost < decoys/evaluate_1.rdb > sort.tmp mv -f sort.tmp decoys/evaluate_1.rdb mv -f decoys/evaluate_1.pretty decoys/evaluate_1.pretty.old mv: cannot stat `decoys/evaluate_1.pretty': No such file or directory make: [decoys/evaluate_1.pretty] Error 1 (ignored) /projects/compbio/experiments/protein-predict/casp7/scripts/prettyscore -terse -targpfx -decpoint < decoys/evaluate_1.rdb > decoys/evaluate_1.pretty