/projects/compbio/experiments/protein-predict/casp7/starter-directory/Make.main:725: SECONDARY_TARGET = T0306.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/T0306.} ;\ 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/T0306/ -e s/START_COL/1/ \ -e s/REAL_PDB/2hd3A/ \ -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 1175318766 # command:# Prefix for input files set to /projects/compbio/experiments/undertaker/atoms-inputs/ # command:# reading monomeric-50pc.atoms # trans (non-proline) backbone unit: # CA= -2.2088 1.0126 -0.0031 # O= -0.1499 2.2440 0.0017 # C= -0.6889 1.1368 0.0000 # N+1= 0.0000 0.0000 0.0000 # CA+1= 1.4581 0.0000 0.0000 # cis backbone unit: # CA= -0.1462 2.4515 0.0018 # O= -2.0272 0.9713 0.0022 # C= -0.8006 1.0755 0.0000 # N+1= 0.0000 0.0000 0.0000 # CA+1= 1.4659 0.0000 0.0000 # trans backbone unit before proline: # CA= -2.2099 1.0634 -0.0014 # O= -0.1233 2.2459 0.0075 # C= -0.6871 1.1518 0.0000 # N+1= 0.0000 0.0000 0.0000 # CA+1= 1.4660 0.0000 0.0000 # After reading monomeric-50pc.atoms have 448 chains in training database # Count of chains,residues,atoms: 448,112605,876684 # 109826 residues have no bad marker # 665 residues lack atoms needed to compute omega # 322 residues have cis peptide # number of each bad type: # NON_STANDARD_RESIDUE 6 # HAS_OXT 325 # TOO_MANY_ATOMS 1 # TOO_FEW_ATOMS 523 # HAS_UNKNOWN_ATOMS 2 # HAS_DUPLICATE_ATOMS 0 # CHAIN_BREAK_BEFORE 208 # NON_PLANAR_PEPTIDE 143 # BAD_PEPTIDE 1959 # Note: may sum to more than number of residues, # because one residue may have multiple problems # command:# Reading rotamer library from dunbrack-1332.rot # command:# Prefix for input files set to /projects/compbio/experiments/undertaker/spots/ # command:# ReadAtomType exp-pdb.types Read AtomType exp-pdb with 49 types. # command:# ReadClashTable exp-pdb-2191-2symm.clash # Read ClashTable exp-pdb-2191-2symm checking bonds symmetric at MaxSep 2 # command:# command:CPU_time= 5.98709 sec, elapsed time= 6.04679 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= 6.06508 sec, elapsed time= 6.18639 sec) # command:# Prefix for input files set to # command:# Making conformation for sequence T0306 numbered 1 through 95 Created new target T0306 from T0306.a2m # command:# command:# No conformations to remove in PopConform # command:# cleared Id set # command:# command:2hd3A expands to /projects/compbio/data/pdb/2hd3.pdb.gz 2hd3A:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Read 96 residues and 702 atoms. # 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= 8.61469 sec, elapsed time= 8.85804 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 89 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -19.7368 # GDT_score(maxd=8,maxw=2.9)= -17.0683 # GDT_score(maxd=8,maxw=3.2)= -16.3563 # GDT_score(maxd=8,maxw=3.5)= -15.7281 # GDT_score(maxd=10,maxw=3.8)= -18.427 # GDT_score(maxd=10,maxw=4)= -17.9267 # GDT_score(maxd=10,maxw=4.2)= -17.4741 # GDT_score(maxd=12,maxw=4.3)= -20.5504 # GDT_score(maxd=12,maxw=4.5)= -20.0113 # GDT_score(maxd=12,maxw=4.7)= -19.5121 # GDT_score(maxd=14,maxw=5.2)= -21.3562 # GDT_score(maxd=14,maxw=5.5)= -20.5412 # command:# Prefix for output files set to # command:superimposing iter= 0 total_weight= 1.0740000e+03 rmsd (weighted)= 1.1613783e+01 (unweighted)= 1.1858020e+01 superimposing iter= 1 total_weight= 1.3462919e+03 rmsd (weighted)= 8.2503502e+00 (unweighted)= 1.1876207e+01 superimposing iter= 2 total_weight= 7.7148558e+02 rmsd (weighted)= 7.7890251e+00 (unweighted)= 1.1900859e+01 superimposing iter= 3 total_weight= 7.0855196e+02 rmsd (weighted)= 7.6839513e+00 (unweighted)= 1.1920041e+01 superimposing iter= 4 total_weight= 6.9479240e+02 rmsd (weighted)= 7.6569072e+00 (unweighted)= 1.1935653e+01 superimposing iter= 5 total_weight= 6.9329383e+02 rmsd (weighted)= 7.6385119e+00 (unweighted)= 1.1949312e+01 # command:# Prefix for output files set to decoys/ # command:# request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_1917774216.pdb -s /var/tmp/to_scwrl_1917774216.seq -o /var/tmp/from_scwrl_1917774216.pdb > /var/tmp/scwrl_1917774216.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1917774216.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 88 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -17.3684 # GDT_score(maxd=8,maxw=2.9)= -15.6535 # GDT_score(maxd=8,maxw=3.2)= -14.7496 # GDT_score(maxd=8,maxw=3.5)= -13.8892 # GDT_score(maxd=10,maxw=3.8)= -16.3881 # GDT_score(maxd=10,maxw=4)= -15.7792 # GDT_score(maxd=10,maxw=4.2)= -15.2284 # GDT_score(maxd=12,maxw=4.3)= -17.9123 # GDT_score(maxd=12,maxw=4.5)= -17.3034 # GDT_score(maxd=12,maxw=4.7)= -16.7462 # GDT_score(maxd=14,maxw=5.2)= -18.0081 # GDT_score(maxd=14,maxw=5.5)= -17.2555 # command:# request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_868296510.pdb -s /var/tmp/to_scwrl_868296510.seq -o /var/tmp/from_scwrl_868296510.pdb > /var/tmp/scwrl_868296510.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_868296510.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 87 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -16.0526 # GDT_score(maxd=8,maxw=2.9)= -13.819 # GDT_score(maxd=8,maxw=3.2)= -13.1156 # GDT_score(maxd=8,maxw=3.5)= -12.5328 # GDT_score(maxd=10,maxw=3.8)= -15.1241 # GDT_score(maxd=10,maxw=4)= -14.6837 # GDT_score(maxd=10,maxw=4.2)= -14.2852 # GDT_score(maxd=12,maxw=4.3)= -17.0737 # GDT_score(maxd=12,maxw=4.5)= -16.5956 # GDT_score(maxd=12,maxw=4.7)= -16.1081 # GDT_score(maxd=14,maxw=5.2)= -17.5831 # GDT_score(maxd=14,maxw=5.5)= -16.8537 # command:# request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_703090554.pdb -s /var/tmp/to_scwrl_703090554.seq -o /var/tmp/from_scwrl_703090554.pdb > /var/tmp/scwrl_703090554.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_703090554.pdb # conformation set from SCWRL output # command:# naming current conformation model3-scwrl # command:# ReadConformPDB reading from PDB file model4.ts-submitted looking for model 1 # Found a chain break before 93 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -23.1579 # GDT_score(maxd=8,maxw=2.9)= -19.702 # GDT_score(maxd=8,maxw=3.2)= -18.8768 # GDT_score(maxd=8,maxw=3.5)= -18.161 # GDT_score(maxd=10,maxw=3.8)= -21.2065 # GDT_score(maxd=10,maxw=4)= -20.6725 # GDT_score(maxd=10,maxw=4.2)= -20.1894 # GDT_score(maxd=12,maxw=4.3)= -23.287 # GDT_score(maxd=12,maxw=4.5)= -22.7198 # GDT_score(maxd=12,maxw=4.7)= -22.164 # GDT_score(maxd=14,maxw=5.2)= -23.6436 # GDT_score(maxd=14,maxw=5.5)= -22.8132 # command:# request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_162919578.pdb -s /var/tmp/to_scwrl_162919578.seq -o /var/tmp/from_scwrl_162919578.pdb > /var/tmp/scwrl_162919578.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_162919578.pdb # conformation set from SCWRL output # command:# naming current conformation model4-scwrl # command:# ReadConformPDB reading from PDB file model5.ts-submitted looking for model 1 # Found a chain break before 91 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -20.2632 # GDT_score(maxd=8,maxw=2.9)= -18.7132 # GDT_score(maxd=8,maxw=3.2)= -17.6773 # GDT_score(maxd=8,maxw=3.5)= -16.7771 # GDT_score(maxd=10,maxw=3.8)= -19.0978 # GDT_score(maxd=10,maxw=4)= -18.4391 # GDT_score(maxd=10,maxw=4.2)= -17.8117 # GDT_score(maxd=12,maxw=4.3)= -20.5049 # GDT_score(maxd=12,maxw=4.5)= -19.8275 # GDT_score(maxd=12,maxw=4.7)= -19.2077 # GDT_score(maxd=14,maxw=5.2)= -20.4813 # GDT_score(maxd=14,maxw=5.5)= -19.6005 # command:# request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_810509393.pdb -s /var/tmp/to_scwrl_810509393.seq -o /var/tmp/from_scwrl_810509393.pdb > /var/tmp/scwrl_810509393.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_810509393.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 T0306.try1-opt2.pdb looking for model 1 # Found a chain break before 85 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -16.3158 # GDT_score(maxd=8,maxw=2.9)= -14.1632 # GDT_score(maxd=8,maxw=3.2)= -13.3291 # GDT_score(maxd=8,maxw=3.5)= -12.5475 # GDT_score(maxd=10,maxw=3.8)= -14.9435 # GDT_score(maxd=10,maxw=4)= -14.4068 # GDT_score(maxd=10,maxw=4.2)= -13.9213 # GDT_score(maxd=12,maxw=4.3)= -16.3808 # GDT_score(maxd=12,maxw=4.5)= -15.8399 # GDT_score(maxd=12,maxw=4.7)= -15.345 # GDT_score(maxd=14,maxw=5.2)= -16.6094 # GDT_score(maxd=14,maxw=5.5)= -15.9331 # command:# Prefix for output files set to # command:superimposing iter= 0 total_weight= 1.0740000e+03 rmsd (weighted)= 1.6053929e+01 (unweighted)= 1.6201953e+01 superimposing iter= 1 total_weight= 1.7502635e+03 rmsd (weighted)= 9.7026516e+00 (unweighted)= 1.6290552e+01 superimposing iter= 2 total_weight= 9.5583266e+02 rmsd (weighted)= 8.1184691e+00 (unweighted)= 1.6405978e+01 superimposing iter= 3 total_weight= 8.0418863e+02 rmsd (weighted)= 7.4673071e+00 (unweighted)= 1.6506171e+01 superimposing iter= 4 total_weight= 7.5755896e+02 rmsd (weighted)= 7.1012990e+00 (unweighted)= 1.6581611e+01 superimposing iter= 5 total_weight= 7.2709868e+02 rmsd (weighted)= 6.9023011e+00 (unweighted)= 1.6633562e+01 # command:# Prefix for output files set to decoys/ # command:# Prefix for input files set to # command:# ReadConformPDB reading from PDB file T0306.undertaker-align.pdb looking for model 1 # WARNING: incomplete conformation T0306 can't currently be optimized by undertaker # command:# naming current conformation align1 # command:# fraction of real conformation used = 0.757895 # GDT_score = -21.0526 # GDT_score(maxd=8,maxw=2.9)= -19.7128 # GDT_score(maxd=8,maxw=3.2)= -18.6709 # GDT_score(maxd=8,maxw=3.5)= -17.7021 # GDT_score(maxd=10,maxw=3.8)= -20.0936 # GDT_score(maxd=10,maxw=4)= -19.4568 # GDT_score(maxd=10,maxw=4.2)= -18.8311 # GDT_score(maxd=12,maxw=4.3)= -21.2181 # GDT_score(maxd=12,maxw=4.5)= -20.5558 # GDT_score(maxd=12,maxw=4.7)= -19.9499 # GDT_score(maxd=14,maxw=5.2)= -20.8849 # GDT_score(maxd=14,maxw=5.5)= -20.0902 # command:# ReadConformPDB reading from PDB file T0306.undertaker-align.pdb looking for model 2 # WARNING: incomplete conformation T0306 can't currently be optimized by undertaker # command:# naming current conformation align2 # command:# fraction of real conformation used = 0.726316 # GDT_score = -20.5263 # GDT_score(maxd=8,maxw=2.9)= -19.0612 # GDT_score(maxd=8,maxw=3.2)= -18.0637 # GDT_score(maxd=8,maxw=3.5)= -17.2372 # GDT_score(maxd=10,maxw=3.8)= -19.5046 # GDT_score(maxd=10,maxw=4)= -18.9504 # GDT_score(maxd=10,maxw=4.2)= -18.4103 # GDT_score(maxd=12,maxw=4.3)= -20.7101 # GDT_score(maxd=12,maxw=4.5)= -20.1192 # GDT_score(maxd=12,maxw=4.7)= -19.571 # GDT_score(maxd=14,maxw=5.2)= -20.4869 # GDT_score(maxd=14,maxw=5.5)= -19.6722 # command:# ReadConformPDB reading from PDB file T0306.undertaker-align.pdb looking for model 3 # WARNING: incomplete conformation T0306 can't currently be optimized by undertaker # command:# naming current conformation align3 # command:# ReadConformPDB reading from PDB file T0306.undertaker-align.pdb looking for model 4 # WARNING: incomplete conformation T0306 can't currently be optimized by undertaker # command:# naming current conformation align4 # command:# ReadConformPDB reading from PDB file T0306.undertaker-align.pdb looking for model 5 # WARNING: incomplete conformation T0306 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 89 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model2.ts-submitted looking for model 1 # Found a chain break before 88 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model3.ts-submitted looking for model 1 # Found a chain break before 87 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model4.ts-submitted looking for model 1 # Found a chain break before 93 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model5.ts-submitted looking for model 1 # Found a chain break before 91 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try1-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 85 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try1-opt1.pdb.gz looking for model 1 # Found a chain break before 85 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try1-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 85 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try1-opt2.pdb.gz looking for model 1 # Found a chain break before 85 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try1-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 85 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try10-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 89 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try10-opt1.pdb.gz looking for model 1 # Found a chain break before 89 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try10-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 84 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try10-opt2.pdb.gz looking for model 1 # Found a chain break before 89 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try10-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 89 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try11-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 88 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try11-opt1.pdb.gz looking for model 1 # Found a chain break before 88 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try11-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 85 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try11-opt2.pdb.gz looking for model 1 # Found a chain break before 93 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try11-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 93 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try12-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 88 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try12-opt1.pdb.gz looking for model 1 # Found a chain break before 88 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try12-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 87 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try12-opt2.pdb.gz looking for model 1 # Found a chain break before 88 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try12-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 88 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try13-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 88 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try13-opt1.pdb.gz looking for model 1 # Found a chain break before 88 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try13-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 85 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try13-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 85 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try13-opt2.pdb.gz looking for model 1 # Found a chain break before 88 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try13-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 88 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try14-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 88 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try14-opt1.pdb.gz looking for model 1 # Found a chain break before 88 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try14-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 94 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try14-opt2.pdb.gz looking for model 1 # Found a chain break before 88 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try14-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 88 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try15-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 88 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try15-opt1.pdb.gz looking for model 1 # Found a chain break before 88 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try15-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 86 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try15-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 86 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try15-opt2.pdb.gz looking for model 1 # Found a chain break before 93 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try15-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 93 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try16-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 87 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try16-opt1.pdb.gz looking for model 1 # Found a chain break before 87 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try16-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 77 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try16-opt2.pdb.gz looking for model 1 # Found a chain break before 87 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try16-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 87 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try17-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 87 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try17-opt1.pdb.gz looking for model 1 # Found a chain break before 87 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try17-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 77 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try17-opt2.pdb.gz looking for model 1 # Found a chain break before 87 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try17-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 87 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try18-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 74 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try18-opt1.pdb.gz looking for model 1 # Found a chain break before 74 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try18-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 74 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try18-opt2.pdb.gz looking for model 1 # Found a chain break before 89 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try18-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 89 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try19-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 87 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try19-opt1.pdb.gz looking for model 1 # Found a chain break before 87 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try19-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 77 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try19-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 77 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try19-opt2.pdb.gz looking for model 1 # Found a chain break before 87 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try19-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 87 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try2-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 93 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try2-opt1.pdb.gz looking for model 1 # Found a chain break before 93 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try2-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 94 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try2-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 94 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try2-opt2.pdb.gz looking for model 1 # Found a chain break before 93 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try2-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 93 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try20-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 89 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try20-opt1.pdb.gz looking for model 1 # Found a chain break before 89 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try20-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 74 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try20-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 74 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try20-opt2.pdb.gz looking for model 1 # Found a chain break before 89 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try20-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 89 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try21-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 86 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try21-opt1.pdb.gz looking for model 1 # Found a chain break before 86 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try21-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 86 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try21-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 86 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try21-opt2.pdb.gz looking for model 1 # Found a chain break before 89 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try21-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 89 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try22-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 87 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try22-opt1.pdb.gz looking for model 1 # Found a chain break before 87 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try22-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 87 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try22-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 87 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try22-opt2.pdb.gz looking for model 1 # Found a chain break before 92 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try22-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 92 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try23-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 85 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try23-opt1.pdb.gz looking for model 1 # Found a chain break before 85 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try23-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 92 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try23-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 92 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try23-opt2.pdb.gz looking for model 1 # Found a chain break before 87 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try23-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 87 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try24-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 85 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try24-opt1.pdb.gz looking for model 1 # Found a chain break before 85 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try24-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 78 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try24-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 78 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try24-opt2.pdb.gz looking for model 1 # Found a chain break before 93 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try24-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 93 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try25-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 79 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try25-opt1.pdb.gz looking for model 1 # Found a chain break before 79 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try25-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 75 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try25-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 75 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try25-opt2.pdb.gz looking for model 1 # Found a chain break before 79 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try25-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 79 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try26-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 88 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try26-opt1.pdb.gz looking for model 1 # Found a chain break before 88 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try26-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 72 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try26-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 72 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try26-opt2.pdb.gz looking for model 1 # Found a chain break before 91 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try26-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 91 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try27-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 93 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try27-opt1.pdb.gz looking for model 1 # Found a chain break before 93 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try27-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 73 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try27-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 73 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try27-opt2.pdb.gz looking for model 1 # Found a chain break before 93 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try27-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 93 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try3-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 92 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try3-opt1.pdb.gz looking for model 1 # Found a chain break before 92 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try3-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 53 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try3-opt2.pdb.gz looking for model 1 # Found a chain break before 92 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try3-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 92 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try4-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 93 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try4-opt1.pdb.gz looking for model 1 # Found a chain break before 93 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try4-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 94 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try4-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 94 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try4-opt2.pdb.gz looking for model 1 # Found a chain break before 93 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try4-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 93 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try5-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 93 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try5-opt1.pdb.gz looking for model 1 # Found a chain break before 93 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try5-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 91 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try5-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 91 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try5-opt2.pdb.gz looking for model 1 # Found a chain break before 93 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try5-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 93 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try6-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 91 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try6-opt1.pdb.gz looking for model 1 # Found a chain break before 91 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try6-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 93 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try6-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 93 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try6-opt2.pdb.gz looking for model 1 # Found a chain break before 92 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try6-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 92 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try7-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 85 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try7-opt1.pdb.gz looking for model 1 # Found a chain break before 85 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try7-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 82 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try7-opt2.pdb.gz looking for model 1 # Found a chain break before 85 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try7-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 85 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try8-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 85 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try8-opt1.pdb.gz looking for model 1 # Found a chain break before 85 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try8-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 76 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try8-opt2.pdb.gz looking for model 1 # Found a chain break before 89 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try8-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 89 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try9-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 85 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try9-opt1.pdb.gz looking for model 1 # Found a chain break before 85 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try9-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 76 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try9-opt2.pdb.gz looking for model 1 # Found a chain break before 85 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0306.try9-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 85 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../6mer/decoys/T0306.6mer-2a10.pdb.gz looking for chain 'A' model 1 # Found a chain break before 89 # copying to AlignedFragments data structure # naming current conformation 6mer//6mer-2a10 # ReadConformPDB reading from PDB file ../6mer/decoys/T0306.model4_6mer_renumber.pdb.gz looking for chain 'A' model 1 # Found a chain break before 89 # copying to AlignedFragments data structure # naming current conformation 6mer//model4_6mer_renumber # ReadConformPDB reading from PDB file ../6mer/decoys/T0306.try1-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 89 # copying to AlignedFragments data structure # naming current conformation 6mer//try1-opt1-scwrl # ReadConformPDB reading from PDB file ../6mer/decoys/T0306.try1-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 89 # copying to AlignedFragments data structure # naming current conformation 6mer//try1-opt1 # ReadConformPDB reading from PDB file ../6mer/decoys/T0306.try1-opt2.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 94 # copying to AlignedFragments data structure # naming current conformation 6mer//try1-opt2.gromacs0 # ReadConformPDB reading from PDB file ../6mer/decoys/T0306.try1-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 89 # copying to AlignedFragments data structure # naming current conformation 6mer//try1-opt2 # ReadConformPDB reading from PDB file ../6mer/decoys/T0306.try1-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 89 # copying to AlignedFragments data structure # naming current conformation 6mer//try1-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../6mer/decoys/T0306.try1-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 6mer//try1-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../6mer/decoys/T0306.try1-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 6mer//try1-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../6mer/decoys/T0306.try1-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 89 # copying to AlignedFragments data structure # naming current conformation 6mer//try1-opt2.unpack # ReadConformPDB reading from PDB file ../6mer/decoys/T0306.try18-opt2_6mer_renumber.pdb.gz looking for chain 'A' model 1 # Found a chain break before 89 # copying to AlignedFragments data structure # naming current conformation 6mer//try18-opt2_6mer_renumber # ReadConformPDB reading from PDB file ../6mer/decoys/T0306.try3-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 89 # copying to AlignedFragments data structure # naming current conformation 6mer//try3-opt1-scwrl # ReadConformPDB reading from PDB file ../6mer/decoys/T0306.try3-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 89 # copying to AlignedFragments data structure # naming current conformation 6mer//try3-opt1 # ReadConformPDB reading from PDB file ../6mer/decoys/T0306.try3-opt2.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 94 # copying to AlignedFragments data structure # naming current conformation 6mer//try3-opt2.gromacs0 # ReadConformPDB reading from PDB file ../6mer/decoys/T0306.try3-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 89 # copying to AlignedFragments data structure # naming current conformation 6mer//try3-opt2 # ReadConformPDB reading from PDB file ../6mer/decoys/T0306.try3-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 89 # copying to AlignedFragments data structure # naming current conformation 6mer//try3-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../6mer/decoys/T0306.try3-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 6mer//try3-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../6mer/decoys/T0306.try3-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 6mer//try3-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../6mer/decoys/T0306.try3-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 89 # copying to AlignedFragments data structure # naming current conformation 6mer//try3-opt2.unpack # ReadConformPDB reading from PDB file ../6mer/decoys/T0306.try3-opt2_6mer_renumber.pdb.gz looking for chain 'A' model 1 # Found a chain break before 89 # copying to AlignedFragments data structure # naming current conformation 6mer//try3-opt2_6mer_renumber # ReadConformPDB reading from PDB file ../6mer/decoys/T0306.try4-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 89 # copying to AlignedFragments data structure # naming current conformation 6mer//try4-opt1-scwrl # ReadConformPDB reading from PDB file ../6mer/decoys/T0306.try4-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 89 # copying to AlignedFragments data structure # naming current conformation 6mer//try4-opt1 # ReadConformPDB reading from PDB file ../6mer/decoys/T0306.try4-opt2.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 94 # copying to AlignedFragments data structure # naming current conformation 6mer//try4-opt2.gromacs0 # ReadConformPDB reading from PDB file ../6mer/decoys/T0306.try4-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 89 # copying to AlignedFragments data structure # naming current conformation 6mer//try4-opt2 # ReadConformPDB reading from PDB file ../6mer/decoys/T0306.try4-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 89 # copying to AlignedFragments data structure # naming current conformation 6mer//try4-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../6mer/decoys/T0306.try4-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 75 # copying to AlignedFragments data structure # naming current conformation 6mer//try4-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../6mer/decoys/T0306.try4-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 75 # copying to AlignedFragments data structure # naming current conformation 6mer//try4-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../6mer/decoys/T0306.try4-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 89 # copying to AlignedFragments data structure # naming current conformation 6mer//try4-opt2.unpack # ReadConformPDB reading from PDB file ../6mer/decoys/T0306.try5-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 89 # copying to AlignedFragments data structure # naming current conformation 6mer//try5-opt1-scwrl # ReadConformPDB reading from PDB file ../6mer/decoys/T0306.try5-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 89 # copying to AlignedFragments data structure # naming current conformation 6mer//try5-opt1 # ReadConformPDB reading from PDB file ../6mer/decoys/T0306.try5-opt2.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 94 # copying to AlignedFragments data structure # naming current conformation 6mer//try5-opt2.gromacs0 # ReadConformPDB reading from PDB file ../6mer/decoys/T0306.try5-opt2.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 94 # copying to AlignedFragments data structure # naming current conformation 6mer//try5-opt2.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../6mer/decoys/T0306.try5-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 89 # copying to AlignedFragments data structure # naming current conformation 6mer//try5-opt2 # ReadConformPDB reading from PDB file ../6mer/decoys/T0306.try5-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 89 # copying to AlignedFragments data structure # naming current conformation 6mer//try5-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../6mer/decoys/T0306.try5-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 75 # copying to AlignedFragments data structure # naming current conformation 6mer//try5-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../6mer/decoys/T0306.try5-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 75 # copying to AlignedFragments data structure # naming current conformation 6mer//try5-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../6mer/decoys/T0306.try5-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 89 # copying to AlignedFragments data structure # naming current conformation 6mer//try5-opt2.unpack # ReadConformPDB reading from PDB file ../6mer/decoys/T0306.try5-opt2_6mer_renumber.pdb.gz looking for chain 'A' model 1 # Found a chain break before 89 # copying to AlignedFragments data structure # naming current conformation 6mer//try5-opt2_6mer_renumber # ReadConformPDB reading from PDB file ../6mer/decoys/T0306.try6-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 89 # copying to AlignedFragments data structure # naming current conformation 6mer//try6-opt1-scwrl # ReadConformPDB reading from PDB file ../6mer/decoys/T0306.try6-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 89 # copying to AlignedFragments data structure # naming current conformation 6mer//try6-opt1 # ReadConformPDB reading from PDB file ../6mer/decoys/T0306.try6-opt2.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 94 # copying to AlignedFragments data structure # naming current conformation 6mer//try6-opt2.gromacs0 # ReadConformPDB reading from PDB file ../6mer/decoys/T0306.try6-opt2.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 94 # copying to AlignedFragments data structure # naming current conformation 6mer//try6-opt2.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../6mer/decoys/T0306.try6-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 83 # copying to AlignedFragments data structure # naming current conformation 6mer//try6-opt2 # ReadConformPDB reading from PDB file ../6mer/decoys/T0306.try6-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 83 # copying to AlignedFragments data structure # naming current conformation 6mer//try6-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../6mer/decoys/T0306.try6-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 6mer//try6-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../6mer/decoys/T0306.try6-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 6mer//try6-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../6mer/decoys/T0306.try6-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 83 # copying to AlignedFragments data structure # naming current conformation 6mer//try6-opt2.unpack # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0306 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS1 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_1976637803.pdb -s /var/tmp/to_scwrl_1976637803.seq -o /var/tmp/from_scwrl_1976637803.pdb > /var/tmp/scwrl_1976637803.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1976637803.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_POPULUS_TS1-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS2.pdb.gz looking for model 1 # Found a chain break before 90 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS2 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_1897730572.pdb -s /var/tmp/to_scwrl_1897730572.seq -o /var/tmp/from_scwrl_1897730572.pdb > /var/tmp/scwrl_1897730572.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1897730572.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 # Found a chain break before 90 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS3 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_634916320.pdb -s /var/tmp/to_scwrl_634916320.seq -o /var/tmp/from_scwrl_634916320.pdb > /var/tmp/scwrl_634916320.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_634916320.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 T0306 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS4 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_784664023.pdb -s /var/tmp/to_scwrl_784664023.seq -o /var/tmp/from_scwrl_784664023.pdb > /var/tmp/scwrl_784664023.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_784664023.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 T0306 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS5 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_1499213895.pdb -s /var/tmp/to_scwrl_1499213895.seq -o /var/tmp/from_scwrl_1499213895.pdb > /var/tmp/scwrl_1499213895.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1499213895.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 # Found a chain break before 90 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_RECOM_TS1 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_924042224.pdb -s /var/tmp/to_scwrl_924042224.seq -o /var/tmp/from_scwrl_924042224.pdb > /var/tmp/scwrl_924042224.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_924042224.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 T0306 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_RECOM_TS2 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_111632728.pdb -s /var/tmp/to_scwrl_111632728.seq -o /var/tmp/from_scwrl_111632728.pdb > /var/tmp/scwrl_111632728.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_111632728.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 T0306 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_RECOM_TS3 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_1014211371.pdb -s /var/tmp/to_scwrl_1014211371.seq -o /var/tmp/from_scwrl_1014211371.pdb > /var/tmp/scwrl_1014211371.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1014211371.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 # Found a chain break before 90 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_RECOM_TS4 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_249064630.pdb -s /var/tmp/to_scwrl_249064630.seq -o /var/tmp/from_scwrl_249064630.pdb > /var/tmp/scwrl_249064630.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_249064630.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 T0306 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS5 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_2051334385.pdb -s /var/tmp/to_scwrl_2051334385.seq -o /var/tmp/from_scwrl_2051334385.pdb > /var/tmp/scwrl_2051334385.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2051334385.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 T0306 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS1 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_268913910.pdb -s /var/tmp/to_scwrl_268913910.seq -o /var/tmp/from_scwrl_268913910.pdb > /var/tmp/scwrl_268913910.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_268913910.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 # Found a chain break before 90 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_TS2 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_1087085166.pdb -s /var/tmp/to_scwrl_1087085166.seq -o /var/tmp/from_scwrl_1087085166.pdb > /var/tmp/scwrl_1087085166.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1087085166.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_TS2-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0306 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS3 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_20169026.pdb -s /var/tmp/to_scwrl_20169026.seq -o /var/tmp/from_scwrl_20169026.pdb > /var/tmp/scwrl_20169026.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_20169026.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 T0306 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS4 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_1624976330.pdb -s /var/tmp/to_scwrl_1624976330.seq -o /var/tmp/from_scwrl_1624976330.pdb > /var/tmp/scwrl_1624976330.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1624976330.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 T0306 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_TS5 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_1614412981.pdb -s /var/tmp/to_scwrl_1614412981.seq -o /var/tmp/from_scwrl_1614412981.pdb > /var/tmp/scwrl_1614412981.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1614412981.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 76 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS1 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_2122031178.pdb -s /var/tmp/to_scwrl_2122031178.seq -o /var/tmp/from_scwrl_2122031178.pdb > /var/tmp/scwrl_2122031178.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2122031178.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 75 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS2 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_2057052062.pdb -s /var/tmp/to_scwrl_2057052062.seq -o /var/tmp/from_scwrl_2057052062.pdb > /var/tmp/scwrl_2057052062.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2057052062.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 76 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS3 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_2073307406.pdb -s /var/tmp/to_scwrl_2073307406.seq -o /var/tmp/from_scwrl_2073307406.pdb > /var/tmp/scwrl_2073307406.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2073307406.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 92 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS4 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_1031152915.pdb -s /var/tmp/to_scwrl_1031152915.seq -o /var/tmp/from_scwrl_1031152915.pdb > /var/tmp/scwrl_1031152915.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1031152915.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 27 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS5 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_2102555621.pdb -s /var/tmp/to_scwrl_2102555621.seq -o /var/tmp/from_scwrl_2102555621.pdb > /var/tmp/scwrl_2102555621.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2102555621.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 92 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS1 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_1427641981.pdb -s /var/tmp/to_scwrl_1427641981.seq -o /var/tmp/from_scwrl_1427641981.pdb > /var/tmp/scwrl_1427641981.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1427641981.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 87 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS2 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_734673192.pdb -s /var/tmp/to_scwrl_734673192.seq -o /var/tmp/from_scwrl_734673192.pdb > /var/tmp/scwrl_734673192.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_734673192.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 87 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS3 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_16116805.pdb -s /var/tmp/to_scwrl_16116805.seq -o /var/tmp/from_scwrl_16116805.pdb > /var/tmp/scwrl_16116805.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_16116805.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 87 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS4 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_585128270.pdb -s /var/tmp/to_scwrl_585128270.seq -o /var/tmp/from_scwrl_585128270.pdb > /var/tmp/scwrl_585128270.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_585128270.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 85 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS5 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_1152518287.pdb -s /var/tmp/to_scwrl_1152518287.seq -o /var/tmp/from_scwrl_1152518287.pdb > /var/tmp/scwrl_1152518287.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1152518287.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 65 # copying to AlignedFragments data structure # naming current conformation BayesHH_TS1 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_1932999877.pdb -s /var/tmp/to_scwrl_1932999877.seq -o /var/tmp/from_scwrl_1932999877.pdb > /var/tmp/scwrl_1932999877.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1932999877.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 # naming current conformation Bilab-ENABLE_TS1 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_355418839.pdb -s /var/tmp/to_scwrl_355418839.seq -o /var/tmp/from_scwrl_355418839.pdb > /var/tmp/scwrl_355418839.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_355418839.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 94 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS2 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_2020814797.pdb -s /var/tmp/to_scwrl_2020814797.seq -o /var/tmp/from_scwrl_2020814797.pdb > /var/tmp/scwrl_2020814797.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2020814797.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 94 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS3 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_488606784.pdb -s /var/tmp/to_scwrl_488606784.seq -o /var/tmp/from_scwrl_488606784.pdb > /var/tmp/scwrl_488606784.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_488606784.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 94 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS4 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_518338417.pdb -s /var/tmp/to_scwrl_518338417.seq -o /var/tmp/from_scwrl_518338417.pdb > /var/tmp/scwrl_518338417.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_518338417.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 94 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS5 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_683840543.pdb -s /var/tmp/to_scwrl_683840543.seq -o /var/tmp/from_scwrl_683840543.pdb > /var/tmp/scwrl_683840543.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_683840543.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 86 ; scwrl3 -i /var/tmp/to_scwrl_317760940.pdb -s /var/tmp/to_scwrl_317760940.seq -o /var/tmp/from_scwrl_317760940.pdb > /var/tmp/scwrl_317760940.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_317760940.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS1-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0306 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS2 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_268585342.pdb -s /var/tmp/to_scwrl_268585342.seq -o /var/tmp/from_scwrl_268585342.pdb > /var/tmp/scwrl_268585342.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_268585342.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 T0306 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS3 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_1318756862.pdb -s /var/tmp/to_scwrl_1318756862.seq -o /var/tmp/from_scwrl_1318756862.pdb > /var/tmp/scwrl_1318756862.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1318756862.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS3-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS4.pdb.gz looking for model 1 # Found a chain break before 88 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS4 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_1102424962.pdb -s /var/tmp/to_scwrl_1102424962.seq -o /var/tmp/from_scwrl_1102424962.pdb > /var/tmp/scwrl_1102424962.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1102424962.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS4-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS5.pdb.gz looking for model 1 # Found a chain break before 91 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS5 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_1767799237.pdb -s /var/tmp/to_scwrl_1767799237.seq -o /var/tmp/from_scwrl_1767799237.pdb > /var/tmp/scwrl_1767799237.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1767799237.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS5-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS1.pdb.gz looking for model 1 # Found a chain break before 51 # copying to AlignedFragments data structure # naming current conformation CaspIta-FOX_TS1 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_95315439.pdb -s /var/tmp/to_scwrl_95315439.seq -o /var/tmp/from_scwrl_95315439.pdb > /var/tmp/scwrl_95315439.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_95315439.pdb # conformation set from SCWRL output # naming current conformation CaspIta-FOX_TS1-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS2.pdb.gz looking for model 1 # Found a chain break before 93 # copying to AlignedFragments data structure # naming current conformation CaspIta-FOX_TS2 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_1214057690.pdb -s /var/tmp/to_scwrl_1214057690.seq -o /var/tmp/from_scwrl_1214057690.pdb > /var/tmp/scwrl_1214057690.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1214057690.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: atoms too close: (T0306)D83.C and (T0306)E84.N only 0.0000000e+00 apart, marking (T0306)E84.N as missing WARNING: atoms too close: (T0306)E84.N and (T0306)E84.CA only 0.0000000e+00 apart, marking (T0306)E84.CA as missing WARNING: atoms too close: (T0306)D83.C and (T0306)E84.CA only 0.0000000e+00 apart, marking (T0306)E84.CA as missing WARNING: atoms too close: (T0306)E84.CA and (T0306)E84.CB only 0.0000000e+00 apart, marking (T0306)E84.CB as missing WARNING: atoms too close: (T0306)E84.N and (T0306)E84.CB only 0.0000000e+00 apart, marking (T0306)E84.CB as missing WARNING: atoms too close: (T0306)D83.C and (T0306)E84.CB only 0.0000000e+00 apart, marking (T0306)E84.CB as missing WARNING: atoms too close: (T0306)E84.CB and (T0306)E84.CG only 0.0000000e+00 apart, marking (T0306)E84.CG as missing WARNING: atoms too close: (T0306)E84.CA and (T0306)E84.CG only 0.0000000e+00 apart, marking (T0306)E84.CG as missing WARNING: atoms too close: (T0306)E84.N and (T0306)E84.CG only 0.0000000e+00 apart, marking (T0306)E84.CG as missing WARNING: atoms too close: (T0306)D83.C and (T0306)E84.CG only 0.0000000e+00 apart, marking (T0306)E84.CG as missing WARNING: atoms too close: (T0306)E84.CG and (T0306)E84.CD only 0.0000000e+00 apart, marking (T0306)E84.CD as missing WARNING: atoms too close: (T0306)E84.CB and (T0306)E84.CD only 0.0000000e+00 apart, marking (T0306)E84.CD as missing WARNING: atoms too close: (T0306)E84.CA and (T0306)E84.CD only 0.0000000e+00 apart, marking (T0306)E84.CD as missing WARNING: atoms too close: (T0306)E84.N and (T0306)E84.CD only 0.0000000e+00 apart, marking (T0306)E84.CD as missing WARNING: atoms too close: (T0306)D83.C and (T0306)E84.CD only 0.0000000e+00 apart, marking (T0306)E84.CD as missing WARNING: atoms too close: (T0306)E84.CD and (T0306)E84.OE1 only 0.0000000e+00 apart, marking (T0306)E84.OE1 as missing WARNING: atoms too close: (T0306)E84.CG and (T0306)E84.OE1 only 0.0000000e+00 apart, marking (T0306)E84.OE1 as missing WARNING: atoms too close: (T0306)E84.CB and (T0306)E84.OE1 only 0.0000000e+00 apart, marking (T0306)E84.OE1 as missing WARNING: atoms too close: (T0306)E84.CA and (T0306)E84.OE1 only 0.0000000e+00 apart, marking (T0306)E84.OE1 as missing WARNING: atoms too close: (T0306)E84.N and (T0306)E84.OE1 only 0.0000000e+00 apart, marking (T0306)E84.OE1 as missing WARNING: atoms too close: (T0306)D83.C and (T0306)E84.OE1 only 0.0000000e+00 apart, marking (T0306)E84.OE1 as missing WARNING: atoms too close: (T0306)E84.OE1 and (T0306)E84.OE2 only 0.0000000e+00 apart, marking (T0306)E84.OE2 as missing WARNING: atoms too close: (T0306)E84.CD and (T0306)E84.OE2 only 0.0000000e+00 apart, marking (T0306)E84.OE2 as missing WARNING: atoms too close: (T0306)E84.CG and (T0306)E84.OE2 only 0.0000000e+00 apart, marking (T0306)E84.OE2 as missing WARNING: atoms too close: (T0306)E84.CB and (T0306)E84.OE2 only 0.0000000e+00 apart, marking (T0306)E84.OE2 as missing WARNING: atoms too close: (T0306)E84.CA and (T0306)E84.OE2 only 0.0000000e+00 apart, marking (T0306)E84.OE2 as missing WARNING: atoms too close: (T0306)E84.N and (T0306)E84.OE2 only 0.0000000e+00 apart, marking (T0306)E84.OE2 as missing WARNING: atoms too close: (T0306)D83.C and (T0306)E84.OE2 only 0.0000000e+00 apart, marking (T0306)E84.OE2 as missing WARNING: atoms too close: (T0306)E84.OE2 and (T0306)E84.O only 0.0000000e+00 apart, marking (T0306)E84.O as missing WARNING: atoms too close: (T0306)E84.OE1 and (T0306)E84.O only 0.0000000e+00 apart, marking (T0306)E84.O as missing WARNING: atoms too close: (T0306)E84.CD and (T0306)E84.O only 0.0000000e+00 apart, marking (T0306)E84.O as missing WARNING: atoms too close: (T0306)E84.CG and (T0306)E84.O only 0.0000000e+00 apart, marking (T0306)E84.O as missing WARNING: atoms too close: (T0306)E84.CB and (T0306)E84.O only 0.0000000e+00 apart, marking (T0306)E84.O as missing WARNING: atoms too close: (T0306)E84.CA and (T0306)E84.O only 0.0000000e+00 apart, marking (T0306)E84.O as missing WARNING: atoms too close: (T0306)E84.N and (T0306)E84.O only 0.0000000e+00 apart, marking (T0306)E84.O as missing WARNING: atoms too close: (T0306)D83.C and (T0306)E84.O only 0.0000000e+00 apart, marking (T0306)E84.O as missing WARNING: atoms too close: (T0306)E84.O and (T0306)E84.C only 0.0000000e+00 apart, marking (T0306)E84.C as missing WARNING: atoms too close: (T0306)E84.OE2 and (T0306)E84.C only 0.0000000e+00 apart, marking (T0306)E84.C as missing WARNING: atoms too close: (T0306)E84.OE1 and (T0306)E84.C only 0.0000000e+00 apart, marking (T0306)E84.C as missing WARNING: atoms too close: (T0306)E84.CD and (T0306)E84.C only 0.0000000e+00 apart, marking (T0306)E84.C as missing WARNING: atoms too close: (T0306)E84.CG and (T0306)E84.C only 0.0000000e+00 apart, marking (T0306)E84.C as missing WARNING: atoms too close: (T0306)E84.CB and (T0306)E84.C only 0.0000000e+00 apart, marking (T0306)E84.C as missing WARNING: atoms too close: (T0306)E84.CA and (T0306)E84.C only 0.0000000e+00 apart, marking (T0306)E84.C as missing WARNING: atoms too close: (T0306)E84.N and (T0306)E84.C only 0.0000000e+00 apart, marking (T0306)E84.C as missing WARNING: atoms too close: (T0306)D83.C and (T0306)E84.C only 0.0000000e+00 apart, marking (T0306)E84.C as missing WARNING: atoms too close: (T0306)E84.C and (T0306)V85.N only 0.0000000e+00 apart, marking (T0306)E84.C as missing WARNING: atoms too close: (T0306)E84.O and (T0306)V85.N only 0.0000000e+00 apart, marking (T0306)E84.O as missing WARNING: atoms too close: (T0306)E84.OE2 and (T0306)V85.N only 0.0000000e+00 apart, marking (T0306)E84.OE2 as missing WARNING: atoms too close: (T0306)E84.OE1 and (T0306)V85.N only 0.0000000e+00 apart, marking (T0306)E84.OE1 as missing WARNING: atoms too close: (T0306)E84.CD and (T0306)V85.N only 0.0000000e+00 apart, marking (T0306)E84.CD as missing WARNING: atoms too close: (T0306)E84.CG and (T0306)V85.N only 0.0000000e+00 apart, marking (T0306)E84.CG as missing WARNING: atoms too close: (T0306)E84.CB and (T0306)V85.N only 0.0000000e+00 apart, marking (T0306)E84.CB as missing WARNING: atoms too close: (T0306)E84.CA and (T0306)V85.N only 0.0000000e+00 apart, marking (T0306)E84.CA as missing WARNING: atoms too close: (T0306)E84.N and (T0306)V85.N only 0.0000000e+00 apart, marking (T0306)E84.N as missing WARNING: atoms too close: (T0306)D83.C and (T0306)V85.N only 0.0000000e+00 apart, marking (T0306)V85.N as missing WARNING: atoms too close: (T0306)V85.N and (T0306)V85.CA only 0.0000000e+00 apart, marking (T0306)V85.CA as missing WARNING: atoms too close: (T0306)E84.C and (T0306)V85.CA only 0.0000000e+00 apart, marking (T0306)V85.CA as missing WARNING: atoms too close: (T0306)E84.O and (T0306)V85.CA only 0.0000000e+00 apart, marking (T0306)V85.CA as missing WARNING: atoms too close: (T0306)E84.OE2 and (T0306)V85.CA only 0.0000000e+00 apart, marking (T0306)V85.CA as missing WARNING: atoms too close: (T0306)E84.OE1 and (T0306)V85.CA only 0.0000000e+00 apart, marking (T0306)V85.CA as missing WARNING: atoms too close: (T0306)E84.CD and (T0306)V85.CA only 0.0000000e+00 apart, marking (T0306)V85.CA as missing WARNING: atoms too close: (T0306)E84.CG and (T0306)V85.CA only 0.0000000e+00 apart, marking (T0306)V85.CA as missing WARNING: atoms too close: (T0306)E84.CB and (T0306)V85.CA only 0.0000000e+00 apart, marking (T0306)V85.CA as missing WARNING: atoms too close: (T0306)E84.CA and (T0306)V85.CA only 0.0000000e+00 apart, marking (T0306)V85.CA as missing WARNING: atoms too close: (T0306)E84.N and (T0306)V85.CA only 0.0000000e+00 apart, marking (T0306)V85.CA as missing WARNING: atoms too close: (T0306)D83.C and (T0306)V85.CA only 0.0000000e+00 apart, marking (T0306)V85.CA as missing WARNING: atoms too close: (T0306)V85.CA and (T0306)V85.CB only 0.0000000e+00 apart, marking (T0306)V85.CB as missing WARNING: atoms too close: (T0306)V85.N and (T0306)V85.CB only 0.0000000e+00 apart, marking (T0306)V85.CB as missing WARNING: atoms too close: (T0306)E84.C and (T0306)V85.CB only 0.0000000e+00 apart, marking (T0306)V85.CB as missing WARNING: atoms too close: (T0306)E84.O and (T0306)V85.CB only 0.0000000e+00 apart, marking (T0306)V85.CB as missing WARNING: atoms too close: (T0306)E84.OE2 and (T0306)V85.CB only 0.0000000e+00 apart, marking (T0306)V85.CB as missing WARNING: atoms too close: (T0306)E84.OE1 and (T0306)V85.CB only 0.0000000e+00 apart, marking (T0306)V85.CB as missing WARNING: atoms too close: (T0306)E84.CD and (T0306)V85.CB only 0.0000000e+00 apart, marking (T0306)V85.CB as missing WARNING: atoms too close: (T0306)E84.CG and (T0306)V85.CB only 0.0000000e+00 apart, marking (T0306)V85.CB as missing WARNING: atoms too close: (T0306)E84.CB and (T0306)V85.CB only 0.0000000e+00 apart, marking (T0306)V85.CB as missing WARNING: atoms too close: (T0306)E84.CA and (T0306)V85.CB only 0.0000000e+00 apart, marking (T0306)V85.CB as missing WARNING: atoms too close: (T0306)E84.N and (T0306)V85.CB only 0.0000000e+00 apart, marking (T0306)V85.CB as missing WARNING: atoms too close: (T0306)D83.C and (T0306)V85.CB only 0.0000000e+00 apart, marking (T0306)V85.CB as missing WARNING: atoms too close: (T0306)V85.CB and (T0306)V85.CG1 only 0.0000000e+00 apart, marking (T0306)V85.CG1 as missing WARNING: atoms too close: (T0306)V85.CA and (T0306)V85.CG1 only 0.0000000e+00 apart, marking (T0306)V85.CG1 as missing WARNING: atoms too close: (T0306)V85.N and (T0306)V85.CG1 only 0.0000000e+00 apart, marking (T0306)V85.CG1 as missing WARNING: atoms too close: (T0306)E84.C and (T0306)V85.CG1 only 0.0000000e+00 apart, marking (T0306)V85.CG1 as missing WARNING: atoms too close: (T0306)E84.O and (T0306)V85.CG1 only 0.0000000e+00 apart, marking (T0306)V85.CG1 as missing WARNING: atoms too close: (T0306)E84.OE2 and (T0306)V85.CG1 only 0.0000000e+00 apart, marking (T0306)V85.CG1 as missing WARNING: atoms too close: (T0306)E84.OE1 and (T0306)V85.CG1 only 0.0000000e+00 apart, marking (T0306)V85.CG1 as missing WARNING: atoms too close: (T0306)E84.CD and (T0306)V85.CG1 only 0.0000000e+00 apart, marking (T0306)V85.CG1 as missing WARNING: atoms too close: (T0306)E84.CG and (T0306)V85.CG1 only 0.0000000e+00 apart, marking (T0306)V85.CG1 as missing WARNING: atoms too close: (T0306)E84.CB and (T0306)V85.CG1 only 0.0000000e+00 apart, marking (T0306)V85.CG1 as missing WARNING: atoms too close: (T0306)E84.CA and (T0306)V85.CG1 only 0.0000000e+00 apart, marking (T0306)V85.CG1 as missing WARNING: atoms too close: (T0306)E84.N and (T0306)V85.CG1 only 0.0000000e+00 apart, marking (T0306)V85.CG1 as missing WARNING: atoms too close: (T0306)D83.C and (T0306)V85.CG1 only 0.0000000e+00 apart, marking (T0306)V85.CG1 as missing WARNING: atoms too close: (T0306)V85.CG1 and (T0306)V85.CG2 only 0.0000000e+00 apart, marking (T0306)V85.CG2 as missing WARNING: atoms too close: (T0306)V85.CB and (T0306)V85.CG2 only 0.0000000e+00 apart, marking (T0306)V85.CG2 as missing WARNING: atoms too close: (T0306)V85.CA and (T0306)V85.CG2 only 0.0000000e+00 apart, marking (T0306)V85.CG2 as missing WARNING: atoms too close: (T0306)V85.N and (T0306)V85.CG2 only 0.0000000e+00 apart, marking (T0306)V85.CG2 as missing WARNING: atoms too close: (T0306)E84.C and (T0306)V85.CG2 only 0.0000000e+00 apart, marking (T0306)V85.CG2 as missing WARNING: atoms too close: (T0306)E84.O and (T0306)V85.CG2 only 0.0000000e+00 apart, marking (T0306)V85.CG2 as missing WARNING: atoms too close: (T0306)E84.OE2 and (T0306)V85.CG2 only 0.0000000e+00 apart, marking (T0306)V85.CG2 as missing WARNING: atoms too close: (T0306)E84.OE1 and (T0306)V85.CG2 only 0.0000000e+00 apart, marking (T0306)V85.CG2 as missing WARNING: atoms too close: (T0306)E84.CD and (T0306)V85.CG2 only 0.0000000e+00 apart, marking (T0306)V85.CG2 as missing WARNING: atoms too close: (T0306)E84.CG and (T0306)V85.CG2 only 0.0000000e+00 apart, marking (T0306)V85.CG2 as missing WARNING: atoms too close: (T0306)E84.CB and (T0306)V85.CG2 only 0.0000000e+00 apart, marking (T0306)V85.CG2 as missing WARNING: atoms too close: (T0306)E84.CA and (T0306)V85.CG2 only 0.0000000e+00 apart, marking (T0306)V85.CG2 as missing WARNING: atoms too close: (T0306)E84.N and (T0306)V85.CG2 only 0.0000000e+00 apart, marking (T0306)V85.CG2 as missing WARNING: atoms too close: (T0306)D83.C and (T0306)V85.CG2 only 0.0000000e+00 apart, marking (T0306)V85.CG2 as missing WARNING: atoms too close: (T0306)V85.CG2 and (T0306)V85.O only 0.0000000e+00 apart, marking (T0306)V85.O as missing WARNING: atoms too close: (T0306)V85.CG1 and (T0306)V85.O only 0.0000000e+00 apart, marking (T0306)V85.O as missing WARNING: atoms too close: (T0306)V85.CB and (T0306)V85.O only 0.0000000e+00 apart, marking (T0306)V85.O as missing WARNING: atoms too close: (T0306)V85.CA and (T0306)V85.O only 0.0000000e+00 apart, marking (T0306)V85.O as missing WARNING: atoms too close: (T0306)V85.N and (T0306)V85.O only 0.0000000e+00 apart, marking (T0306)V85.O as missing WARNING: atoms too close: (T0306)E84.C and (T0306)V85.O only 0.0000000e+00 apart, marking (T0306)V85.O as missing WARNING: atoms too close: (T0306)E84.O and (T0306)V85.O only 0.0000000e+00 apart, marking (T0306)V85.O as missing WARNING: atoms too close: (T0306)E84.OE2 and (T0306)V85.O only 0.0000000e+00 apart, marking (T0306)V85.O as missing WARNING: atoms too close: (T0306)E84.OE1 and (T0306)V85.O only 0.0000000e+00 apart, marking (T0306)V85.O as missing WARNING: atoms too close: (T0306)E84.CD and (T0306)V85.O only 0.0000000e+00 apart, marking (T0306)V85.O as missing WARNING: atoms too close: (T0306)E84.CG and (T0306)V85.O only 0.0000000e+00 apart, marking (T0306)V85.O as missing WARNING: atoms too close: (T0306)E84.CB and (T0306)V85.O only 0.0000000e+00 apart, marking (T0306)V85.O as missing WARNING: atoms too close: (T0306)E84.CA and (T0306)V85.O only 0.0000000e+00 apart, marking (T0306)V85.O as missing WARNING: atoms too close: (T0306)E84.N and (T0306)V85.O only 0.0000000e+00 apart, marking (T0306)V85.O as missing WARNING: atoms too close: (T0306)D83.C and (T0306)V85.O only 0.0000000e+00 apart, marking (T0306)V85.O as missing WARNING: atoms too close: (T0306)V85.O and (T0306)V85.C only 0.0000000e+00 apart, marking (T0306)V85.C as missing WARNING: atoms too close: (T0306)V85.CG2 and (T0306)V85.C only 0.0000000e+00 apart, marking (T0306)V85.C as missing WARNING: atoms too close: (T0306)V85.CG1 and (T0306)V85.C only 0.0000000e+00 apart, marking (T0306)V85.C as missing WARNING: atoms too close: (T0306)V85.CB and (T0306)V85.C only 0.0000000e+00 apart, marking (T0306)V85.C as missing WARNING: atoms too close: (T0306)V85.CA and (T0306)V85.C only 0.0000000e+00 apart, marking (T0306)V85.C as missing WARNING: atoms too close: (T0306)V85.N and (T0306)V85.C only 0.0000000e+00 apart, marking (T0306)V85.C as missing WARNING: atoms too close: (T0306)E84.C and (T0306)V85.C only 0.0000000e+00 apart, marking (T0306)V85.C as missing WARNING: atoms too close: (T0306)E84.O and (T0306)V85.C only 0.0000000e+00 apart, marking (T0306)V85.C as missing WARNING: atoms too close: (T0306)E84.OE2 and (T0306)V85.C only 0.0000000e+00 apart, marking (T0306)V85.C as missing WARNING: atoms too close: (T0306)E84.OE1 and (T0306)V85.C only 0.0000000e+00 apart, marking (T0306)V85.C as missing WARNING: atoms too close: (T0306)E84.CD and (T0306)V85.C only 0.0000000e+00 apart, marking (T0306)V85.C as missing WARNING: atoms too close: (T0306)E84.CG and (T0306)V85.C only 0.0000000e+00 apart, marking (T0306)V85.C as missing WARNING: atoms too close: (T0306)E84.CB and (T0306)V85.C only 0.0000000e+00 apart, marking (T0306)V85.C as missing WARNING: atoms too close: (T0306)E84.CA and (T0306)V85.C only 0.0000000e+00 apart, marking (T0306)V85.C as missing WARNING: atoms too close: (T0306)E84.N and (T0306)V85.C only 0.0000000e+00 apart, marking (T0306)V85.C as missing WARNING: atoms too close: (T0306)D83.C and (T0306)V85.C only 0.0000000e+00 apart, marking (T0306)V85.C as missing WARNING: atoms too close: (T0306)V85.C and (T0306)V86.N only 0.0000000e+00 apart, marking (T0306)V85.C as missing WARNING: atoms too close: (T0306)V85.O and (T0306)V86.N only 0.0000000e+00 apart, marking (T0306)V85.O as missing WARNING: atoms too close: (T0306)V85.CG2 and (T0306)V86.N only 0.0000000e+00 apart, marking (T0306)V85.CG2 as missing WARNING: atoms too close: (T0306)V85.CG1 and (T0306)V86.N only 0.0000000e+00 apart, marking (T0306)V85.CG1 as missing WARNING: atoms too close: (T0306)V85.CB and (T0306)V86.N only 0.0000000e+00 apart, marking (T0306)V85.CB as missing WARNING: atoms too close: (T0306)V85.CA and (T0306)V86.N only 0.0000000e+00 apart, marking (T0306)V85.CA as missing WARNING: atoms too close: (T0306)V85.N and (T0306)V86.N only 0.0000000e+00 apart, marking (T0306)V85.N as missing WARNING: atoms too close: (T0306)E84.C and (T0306)V86.N only 0.0000000e+00 apart, marking (T0306)E84.C as missing WARNING: atoms too close: (T0306)E84.O and (T0306)V86.N only 0.0000000e+00 apart, marking (T0306)E84.O as missing WARNING: atoms too close: (T0306)E84.OE2 and (T0306)V86.N only 0.0000000e+00 apart, marking (T0306)E84.OE2 as missing WARNING: atoms too close: (T0306)E84.OE1 and (T0306)V86.N only 0.0000000e+00 apart, marking (T0306)E84.OE1 as missing WARNING: atoms too close: (T0306)E84.CD and (T0306)V86.N only 0.0000000e+00 apart, marking (T0306)E84.CD as missing WARNING: atoms too close: (T0306)E84.CG and (T0306)V86.N only 0.0000000e+00 apart, marking (T0306)E84.CG as missing WARNING: atoms too close: (T0306)E84.CB and (T0306)V86.N only 0.0000000e+00 apart, marking (T0306)E84.CB as missing WARNING: atoms too close: (T0306)E84.CA and (T0306)V86.N only 0.0000000e+00 apart, marking (T0306)E84.CA as missing WARNING: atoms too close: (T0306)E84.N and (T0306)V86.N only 0.0000000e+00 apart, marking (T0306)E84.N as missing WARNING: atoms too close: (T0306)D83.C and (T0306)V86.N only 0.0000000e+00 apart, marking (T0306)V86.N as missing WARNING: atoms too close: (T0306)V86.N and (T0306)V86.CA only 0.0000000e+00 apart, marking (T0306)V86.CA as missing WARNING: atoms too close: (T0306)V85.C and (T0306)V86.CA only 0.0000000e+00 apart, marking (T0306)V86.CA as missing WARNING: atoms too close: (T0306)V85.O and (T0306)V86.CA only 0.0000000e+00 apart, marking (T0306)V86.CA as missing WARNING: atoms too close: (T0306)V85.CG2 and (T0306)V86.CA only 0.0000000e+00 apart, marking (T0306)V86.CA as missing WARNING: atoms too close: (T0306)V85.CG1 and (T0306)V86.CA only 0.0000000e+00 apart, marking (T0306)V86.CA as missing WARNING: atoms too close: (T0306)V85.CB and (T0306)V86.CA only 0.0000000e+00 apart, marking (T0306)V86.CA as missing WARNING: atoms too close: (T0306)V85.CA and (T0306)V86.CA only 0.0000000e+00 apart, marking (T0306)V86.CA as missing WARNING: atoms too close: (T0306)V85.N and (T0306)V86.CA only 0.0000000e+00 apart, marking (T0306)V86.CA as missing WARNING: atoms too close: (T0306)E84.C and (T0306)V86.CA only 0.0000000e+00 apart, marking (T0306)V86.CA as missing WARNING: atoms too close: (T0306)E84.O and (T0306)V86.CA only 0.0000000e+00 apart, marking (T0306)V86.CA as missing WARNING: atoms too close: (T0306)E84.OE2 and (T0306)V86.CA only 0.0000000e+00 apart, marking (T0306)V86.CA as missing WARNING: atoms too close: (T0306)E84.OE1 and (T0306)V86.CA only 0.0000000e+00 apart, marking (T0306)V86.CA as missing WARNING: atoms too close: (T0306)E84.CD and (T0306)V86.CA only 0.0000000e+00 apart, marking (T0306)V86.CA as missing WARNING: atoms too close: (T0306)E84.CG and (T0306)V86.CA only 0.0000000e+00 apart, marking (T0306)V86.CA as missing WARNING: atoms too close: (T0306)E84.CB and (T0306)V86.CA only 0.0000000e+00 apart, marking (T0306)V86.CA as missing WARNING: atoms too close: (T0306)E84.CA and (T0306)V86.CA only 0.0000000e+00 apart, marking (T0306)V86.CA as missing WARNING: atoms too close: (T0306)E84.N and (T0306)V86.CA only 0.0000000e+00 apart, marking (T0306)V86.CA as missing WARNING: atoms too close: (T0306)D83.C and (T0306)V86.CA only 0.0000000e+00 apart, marking (T0306)V86.CA as missing WARNING: atoms too close: (T0306)V86.CA and (T0306)V86.CB only 0.0000000e+00 apart, marking (T0306)V86.CB as missing WARNING: atoms too close: (T0306)V86.N and (T0306)V86.CB only 0.0000000e+00 apart, marking (T0306)V86.CB as missing WARNING: atoms too close: (T0306)V85.C and (T0306)V86.CB only 0.0000000e+00 apart, marking (T0306)V86.CB as missing WARNING: atoms too close: (T0306)V85.O and (T0306)V86.CB only 0.0000000e+00 apart, marking (T0306)V86.CB as missing WARNING: atoms too close: (T0306)V85.CG2 and (T0306)V86.CB only 0.0000000e+00 apart, marking (T0306)V86.CB as missing WARNING: atoms too close: (T0306)V85.CG1 and (T0306)V86.CB only 0.0000000e+00 apart, marking (T0306)V86.CB as missing WARNING: atoms too close: (T0306)V85.CB and (T0306)V86.CB only 0.0000000e+00 apart, marking (T0306)V86.CB as missing WARNING: atoms too close: (T0306)V85.CA and (T0306)V86.CB only 0.0000000e+00 apart, marking (T0306)V86.CB as missing WARNING: atoms too close: (T0306)V85.N and (T0306)V86.CB only 0.0000000e+00 apart, marking (T0306)V86.CB as missing WARNING: atoms too close: (T0306)E84.C and (T0306)V86.CB only 0.0000000e+00 apart, marking (T0306)V86.CB as missing WARNING: atoms too close: (T0306)E84.O and (T0306)V86.CB only 0.0000000e+00 apart, marking (T0306)V86.CB as missing WARNING: atoms too close: (T0306)E84.OE2 and (T0306)V86.CB only 0.0000000e+00 apart, marking (T0306)V86.CB as missing WARNING: atoms too close: (T0306)E84.OE1 and (T0306)V86.CB only 0.0000000e+00 apart, marking (T0306)V86.CB as missing WARNING: atoms too close: (T0306)E84.CD and (T0306)V86.CB only 0.0000000e+00 apart, marking (T0306)V86.CB as missing WARNING: atoms too close: (T0306)E84.CG and (T0306)V86.CB only 0.0000000e+00 apart, marking (T0306)V86.CB as missing WARNING: atoms too close: (T0306)E84.CB and (T0306)V86.CB only 0.0000000e+00 apart, marking (T0306)V86.CB as missing WARNING: atoms too close: (T0306)E84.CA and (T0306)V86.CB only 0.0000000e+00 apart, marking (T0306)V86.CB as missing WARNING: atoms too close: (T0306)E84.N and (T0306)V86.CB only 0.0000000e+00 apart, marking (T0306)V86.CB as missing WARNING: atoms too close: (T0306)D83.C and (T0306)V86.CB only 0.0000000e+00 apart, marking (T0306)V86.CB as missing WARNING: atoms too close: (T0306)V86.CB and (T0306)V86.CG1 only 0.0000000e+00 apart, marking (T0306)V86.CG1 as missing WARNING: atoms too close: (T0306)V86.CA and (T0306)V86.CG1 only 0.0000000e+00 apart, marking (T0306)V86.CG1 as missing WARNING: atoms too close: (T0306)V86.N and (T0306)V86.CG1 only 0.0000000e+00 apart, marking (T0306)V86.CG1 as missing WARNING: atoms too close: (T0306)V85.C and (T0306)V86.CG1 only 0.0000000e+00 apart, marking (T0306)V86.CG1 as missing WARNING: atoms too close: (T0306)V85.O and (T0306)V86.CG1 only 0.0000000e+00 apart, marking (T0306)V86.CG1 as missing WARNING: atoms too close: (T0306)V85.CG2 and (T0306)V86.CG1 only 0.0000000e+00 apart, marking (T0306)V86.CG1 as missing WARNING: atoms too close: (T0306)V85.CG1 and (T0306)V86.CG1 only 0.0000000e+00 apart, marking (T0306)V86.CG1 as missing WARNING: atoms too close: (T0306)V85.CB and (T0306)V86.CG1 only 0.0000000e+00 apart, marking (T0306)V86.CG1 as missing WARNING: atoms too close: (T0306)V85.CA and (T0306)V86.CG1 only 0.0000000e+00 apart, marking (T0306)V86.CG1 as missing WARNING: atoms too close: (T0306)V85.N and (T0306)V86.CG1 only 0.0000000e+00 apart, marking (T0306)V86.CG1 as missing WARNING: atoms too close: (T0306)E84.C and (T0306)V86.CG1 only 0.0000000e+00 apart, marking (T0306)V86.CG1 as missing WARNING: atoms too close: (T0306)E84.O and (T0306)V86.CG1 only 0.0000000e+00 apart, marking (T0306)V86.CG1 as missing WARNING: atoms too close: (T0306)E84.OE2 and (T0306)V86.CG1 only 0.0000000e+00 apart, marking (T0306)V86.CG1 as missing WARNING: atoms too close: (T0306)E84.OE1 and (T0306)V86.CG1 only 0.0000000e+00 apart, marking (T0306)V86.CG1 as missing WARNING: atoms too close: (T0306)E84.CD and (T0306)V86.CG1 only 0.0000000e+00 apart, marking (T0306)V86.CG1 as missing WARNING: atoms too close: (T0306)E84.CG and (T0306)V86.CG1 only 0.0000000e+00 apart, marking (T0306)V86.CG1 as missing WARNING: atoms too close: (T0306)E84.CB and (T0306)V86.CG1 only 0.0000000e+00 apart, marking (T0306)V86.CG1 as missing WARNING: atoms too close: (T0306)E84.CA and (T0306)V86.CG1 only 0.0000000e+00 apart, marking (T0306)V86.CG1 as missing WARNING: atoms too close: (T0306)E84.N and (T0306)V86.CG1 only 0.0000000e+00 apart, marking (T0306)V86.CG1 as missing WARNING: atoms too close: (T0306)D83.C and (T0306)V86.CG1 only 0.0000000e+00 apart, marking (T0306)V86.CG1 as missing WARNING: atoms too close: (T0306)V86.CG1 and (T0306)V86.CG2 only 0.0000000e+00 apart, marking (T0306)V86.CG2 as missing WARNING: atoms too close: (T0306)V86.CB and (T0306)V86.CG2 only 0.0000000e+00 apart, marking (T0306)V86.CG2 as missing WARNING: atoms too close: (T0306)V86.CA and (T0306)V86.CG2 only 0.0000000e+00 apart, marking (T0306)V86.CG2 as missing WARNING: atoms too close: (T0306)V86.N and (T0306)V86.CG2 only 0.0000000e+00 apart, marking (T0306)V86.CG2 as missing WARNING: atoms too close: (T0306)V85.C and (T0306)V86.CG2 only 0.0000000e+00 apart, marking (T0306)V86.CG2 as missing WARNING: atoms too close: (T0306)V85.O and (T0306)V86.CG2 only 0.0000000e+00 apart, marking (T0306)V86.CG2 as missing WARNING: atoms too close: (T0306)V85.CG2 and (T0306)V86.CG2 only 0.0000000e+00 apart, marking (T0306)V86.CG2 as missing WARNING: atoms too close: (T0306)V85.CG1 and (T0306)V86.CG2 only 0.0000000e+00 apart, marking (T0306)V86.CG2 as missing WARNING: atoms too close: (T0306)V85.CB and (T0306)V86.CG2 only 0.0000000e+00 apart, marking (T0306)V86.CG2 as missing WARNING: atoms too close: (T0306)V85.CA and (T0306)V86.CG2 only 0.0000000e+00 apart, marking (T0306)V86.CG2 as missing WARNING: atoms too close: (T0306)V85.N and (T0306)V86.CG2 only 0.0000000e+00 apart, marking (T0306)V86.CG2 as missing WARNING: atoms too close: (T0306)E84.C and (T0306)V86.CG2 only 0.0000000e+00 apart, marking (T0306)V86.CG2 as missing WARNING: atoms too close: (T0306)E84.O and (T0306)V86.CG2 only 0.0000000e+00 apart, marking (T0306)V86.CG2 as missing WARNING: atoms too close: (T0306)E84.OE2 and (T0306)V86.CG2 only 0.0000000e+00 apart, marking (T0306)V86.CG2 as missing WARNING: atoms too close: (T0306)E84.OE1 and (T0306)V86.CG2 only 0.0000000e+00 apart, marking (T0306)V86.CG2 as missing WARNING: atoms too close: (T0306)E84.CD and (T0306)V86.CG2 only 0.0000000e+00 apart, marking (T0306)V86.CG2 as missing WARNING: atoms too close: (T0306)E84.CG and (T0306)V86.CG2 only 0.0000000e+00 apart, marking (T0306)V86.CG2 as missing WARNING: atoms too close: (T0306)E84.CB and (T0306)V86.CG2 only 0.0000000e+00 apart, marking (T0306)V86.CG2 as missing WARNING: atoms too close: (T0306)E84.CA and (T0306)V86.CG2 only 0.0000000e+00 apart, marking (T0306)V86.CG2 as missing WARNING: atoms too close: (T0306)E84.N and (T0306)V86.CG2 only 0.0000000e+00 apart, marking (T0306)V86.CG2 as missing WARNING: atoms too close: (T0306)D83.C and (T0306)V86.CG2 only 0.0000000e+00 apart, marking (T0306)V86.CG2 as missing WARNING: atoms too close: (T0306)V86.CG2 and (T0306)V86.O only 0.0000000e+00 apart, marking (T0306)V86.O as missing WARNING: atoms too close: (T0306)V86.CG1 and (T0306)V86.O only 0.0000000e+00 apart, marking (T0306)V86.O as missing WARNING: atoms too close: (T0306)V86.CB and (T0306)V86.O only 0.0000000e+00 apart, marking (T0306)V86.O as missing WARNING: atoms too close: (T0306)V86.CA and (T0306)V86.O only 0.0000000e+00 apart, marking (T0306)V86.O as missing WARNING: atoms too close: (T0306)V86.N and (T0306)V86.O only 0.0000000e+00 apart, marking (T0306)V86.O as missing WARNING: atoms too close: (T0306)V85.C and (T0306)V86.O only 0.0000000e+00 apart, marking (T0306)V86.O as missing WARNING: atoms too close: (T0306)V85.O and (T0306)V86.O only 0.0000000e+00 apart, marking (T0306)V86.O as missing WARNING: atoms too close: (T0306)V85.CG2 and (T0306)V86.O only 0.0000000e+00 apart, marking (T0306)V86.O as missing WARNING: atoms too close: (T0306)V85.CG1 and (T0306)V86.O only 0.0000000e+00 apart, marking (T0306)V86.O as missing WARNING: atoms too close: (T0306)V85.CB and (T0306)V86.O only 0.0000000e+00 apart, marking (T0306)V86.O as missing WARNING: atoms too close: (T0306)V85.CA and (T0306)V86.O only 0.0000000e+00 apart, marking (T0306)V86.O as missing WARNING: atoms too close: (T0306)V85.N and (T0306)V86.O only 0.0000000e+00 apart, marking (T0306)V86.O as missing WARNING: atoms too close: (T0306)E84.C and (T0306)V86.O only 0.0000000e+00 apart, marking (T0306)V86.O as missing WARNING: atoms too close: (T0306)E84.O and (T0306)V86.O only 0.0000000e+00 apart, marking (T0306)V86.O as missing WARNING: atoms too close: (T0306)E84.OE2 and (T0306)V86.O only 0.0000000e+00 apart, marking (T0306)V86.O as missing WARNING: atoms too close: (T0306)E84.OE1 and (T0306)V86.O only 0.0000000e+00 apart, marking (T0306)V86.O as missing WARNING: atoms too close: (T0306)E84.CD and (T0306)V86.O only 0.0000000e+00 apart, marking (T0306)V86.O as missing WARNING: atoms too close: (T0306)E84.CG and (T0306)V86.O only 0.0000000e+00 apart, marking (T0306)V86.O as missing WARNING: atoms too close: (T0306)E84.CB and (T0306)V86.O only 0.0000000e+00 apart, marking (T0306)V86.O as missing WARNING: atoms too close: (T0306)E84.CA and (T0306)V86.O only 0.0000000e+00 apart, marking (T0306)V86.O as missing WARNING: atoms too close: (T0306)E84.N and (T0306)V86.O only 0.0000000e+00 apart, marking (T0306)V86.O as missing WARNING: atoms too close: (T0306)D83.C and (T0306)V86.O only 0.0000000e+00 apart, marking (T0306)V86.O as missing WARNING: atoms too close: (T0306)V86.O and (T0306)V86.C only 0.0000000e+00 apart, marking (T0306)V86.C as missing WARNING: atoms too close: (T0306)V86.CG2 and (T0306)V86.C only 0.0000000e+00 apart, marking (T0306)V86.C as missing WARNING: atoms too close: (T0306)V86.CG1 and (T0306)V86.C only 0.0000000e+00 apart, marking (T0306)V86.C as missing WARNING: atoms too close: (T0306)V86.CB and (T0306)V86.C only 0.0000000e+00 apart, marking (T0306)V86.C as missing WARNING: atoms too close: (T0306)V86.CA and (T0306)V86.C only 0.0000000e+00 apart, marking (T0306)V86.C as missing WARNING: atoms too close: (T0306)V86.N and (T0306)V86.C only 0.0000000e+00 apart, marking (T0306)V86.C as missing WARNING: atoms too close: (T0306)V85.C and (T0306)V86.C only 0.0000000e+00 apart, marking (T0306)V86.C as missing WARNING: atoms too close: (T0306)V85.O and (T0306)V86.C only 0.0000000e+00 apart, marking (T0306)V86.C as missing WARNING: atoms too close: (T0306)V85.CG2 and (T0306)V86.C only 0.0000000e+00 apart, marking (T0306)V86.C as missing WARNING: atoms too close: (T0306)V85.CG1 and (T0306)V86.C only 0.0000000e+00 apart, marking (T0306)V86.C as missing WARNING: atoms too close: (T0306)V85.CB and (T0306)V86.C only 0.0000000e+00 apart, marking (T0306)V86.C as missing WARNING: atoms too close: (T0306)V85.CA and (T0306)V86.C only 0.0000000e+00 apart, marking (T0306)V86.C as missing WARNING: atoms too close: (T0306)V85.N and (T0306)V86.C only 0.0000000e+00 apart, marking (T0306)V86.C as missing WARNING: atoms too close: (T0306)E84.C and (T0306)V86.C only 0.0000000e+00 apart, marking (T0306)V86.C as missing WARNING: atoms too close: (T0306)E84.O and (T0306)V86.C only 0.0000000e+00 apart, marking (T0306)V86.C as missing WARNING: atoms too close: (T0306)E84.OE2 and (T0306)V86.C only 0.0000000e+00 apart, marking (T0306)V86.C as missing WARNING: atoms too close: (T0306)E84.OE1 and (T0306)V86.C only 0.0000000e+00 apart, marking (T0306)V86.C as missing WARNING: atoms too close: (T0306)E84.CD and (T0306)V86.C only 0.0000000e+00 apart, marking (T0306)V86.C as missing WARNING: atoms too close: (T0306)E84.CG and (T0306)V86.C only 0.0000000e+00 apart, marking (T0306)V86.C as missing WARNING: atoms too close: (T0306)E84.CB and (T0306)V86.C only 0.0000000e+00 apart, marking (T0306)V86.C as missing WARNING: atoms too close: (T0306)E84.CA and (T0306)V86.C only 0.0000000e+00 apart, marking (T0306)V86.C as missing WARNING: atoms too close: (T0306)E84.N and (T0306)V86.C only 0.0000000e+00 apart, marking (T0306)V86.C as missing WARNING: atoms too close: (T0306)D83.C and (T0306)V86.C only 0.0000000e+00 apart, marking (T0306)V86.C as missing # WARNING: incomplete conformation T0306 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS3 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_634526961.pdb -s /var/tmp/to_scwrl_634526961.seq -o /var/tmp/from_scwrl_634526961.pdb > /var/tmp/scwrl_634526961.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_634526961.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 # Found a chain break before 48 # copying to AlignedFragments data structure # naming current conformation CaspIta-FOX_TS4 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_344380069.pdb -s /var/tmp/to_scwrl_344380069.seq -o /var/tmp/from_scwrl_344380069.pdb > /var/tmp/scwrl_344380069.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_344380069.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 T0306 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS5 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_1117908428.pdb -s /var/tmp/to_scwrl_1117908428.seq -o /var/tmp/from_scwrl_1117908428.pdb > /var/tmp/scwrl_1117908428.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1117908428.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 T0306 can't currently be optimized by undertaker # naming current conformation Distill_TS1 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_903440871.pdb -s /var/tmp/to_scwrl_903440871.seq -o /var/tmp/from_scwrl_903440871.pdb > /var/tmp/scwrl_903440871.log Error: Couldn't open file /var/tmp/from_scwrl_903440871.pdb or /var/tmp/from_scwrl_903440871.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_903440871_b.pdb or decoys//var/tmp/from_scwrl_903440871_b.pdb.gz for input Trying /var/tmp/from_scwrl_903440871_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_903440871_b.pdb or /var/tmp/from_scwrl_903440871_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_903440871_a.pdb or decoys//var/tmp/from_scwrl_903440871_a.pdb.gz for input Trying /var/tmp/from_scwrl_903440871_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_903440871_a.pdb or /var/tmp/from_scwrl_903440871_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_903440871.pdb or /var/tmp/from_scwrl_903440871_b.pdb or /var/tmp/from_scwrl_903440871_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 T0306 can't currently be optimized by undertaker # naming current conformation Distill_TS2 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_1431465236.pdb -s /var/tmp/to_scwrl_1431465236.seq -o /var/tmp/from_scwrl_1431465236.pdb > /var/tmp/scwrl_1431465236.log Error: Couldn't open file /var/tmp/from_scwrl_1431465236.pdb or /var/tmp/from_scwrl_1431465236.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1431465236_b.pdb or decoys//var/tmp/from_scwrl_1431465236_b.pdb.gz for input Trying /var/tmp/from_scwrl_1431465236_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1431465236_b.pdb or /var/tmp/from_scwrl_1431465236_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1431465236_a.pdb or decoys//var/tmp/from_scwrl_1431465236_a.pdb.gz for input Trying /var/tmp/from_scwrl_1431465236_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1431465236_a.pdb or /var/tmp/from_scwrl_1431465236_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1431465236.pdb or /var/tmp/from_scwrl_1431465236_b.pdb or /var/tmp/from_scwrl_1431465236_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 T0306 can't currently be optimized by undertaker # naming current conformation Distill_TS3 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_1138077455.pdb -s /var/tmp/to_scwrl_1138077455.seq -o /var/tmp/from_scwrl_1138077455.pdb > /var/tmp/scwrl_1138077455.log Error: Couldn't open file /var/tmp/from_scwrl_1138077455.pdb or /var/tmp/from_scwrl_1138077455.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1138077455_b.pdb or decoys//var/tmp/from_scwrl_1138077455_b.pdb.gz for input Trying /var/tmp/from_scwrl_1138077455_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1138077455_b.pdb or /var/tmp/from_scwrl_1138077455_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1138077455_a.pdb or decoys//var/tmp/from_scwrl_1138077455_a.pdb.gz for input Trying /var/tmp/from_scwrl_1138077455_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1138077455_a.pdb or /var/tmp/from_scwrl_1138077455_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1138077455.pdb or /var/tmp/from_scwrl_1138077455_b.pdb or /var/tmp/from_scwrl_1138077455_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 T0306 can't currently be optimized by undertaker # naming current conformation Distill_TS4 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_380933555.pdb -s /var/tmp/to_scwrl_380933555.seq -o /var/tmp/from_scwrl_380933555.pdb > /var/tmp/scwrl_380933555.log Error: Couldn't open file /var/tmp/from_scwrl_380933555.pdb or /var/tmp/from_scwrl_380933555.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_380933555_b.pdb or decoys//var/tmp/from_scwrl_380933555_b.pdb.gz for input Trying /var/tmp/from_scwrl_380933555_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_380933555_b.pdb or /var/tmp/from_scwrl_380933555_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_380933555_a.pdb or decoys//var/tmp/from_scwrl_380933555_a.pdb.gz for input Trying /var/tmp/from_scwrl_380933555_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_380933555_a.pdb or /var/tmp/from_scwrl_380933555_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_380933555.pdb or /var/tmp/from_scwrl_380933555_b.pdb or /var/tmp/from_scwrl_380933555_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 T0306 can't currently be optimized by undertaker # naming current conformation Distill_TS5 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_898394571.pdb -s /var/tmp/to_scwrl_898394571.seq -o /var/tmp/from_scwrl_898394571.pdb > /var/tmp/scwrl_898394571.log Error: Couldn't open file /var/tmp/from_scwrl_898394571.pdb or /var/tmp/from_scwrl_898394571.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_898394571_b.pdb or decoys//var/tmp/from_scwrl_898394571_b.pdb.gz for input Trying /var/tmp/from_scwrl_898394571_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_898394571_b.pdb or /var/tmp/from_scwrl_898394571_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_898394571_a.pdb or decoys//var/tmp/from_scwrl_898394571_a.pdb.gz for input Trying /var/tmp/from_scwrl_898394571_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_898394571_a.pdb or /var/tmp/from_scwrl_898394571_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_898394571.pdb or /var/tmp/from_scwrl_898394571_b.pdb or /var/tmp/from_scwrl_898394571_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 92 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS1 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_1112624986.pdb -s /var/tmp/to_scwrl_1112624986.seq -o /var/tmp/from_scwrl_1112624986.pdb > /var/tmp/scwrl_1112624986.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1112624986.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 T0306 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FAMSD_TS2 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_290501970.pdb -s /var/tmp/to_scwrl_290501970.seq -o /var/tmp/from_scwrl_290501970.pdb > /var/tmp/scwrl_290501970.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_290501970.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 # Found a chain break before 88 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS3 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_824218330.pdb -s /var/tmp/to_scwrl_824218330.seq -o /var/tmp/from_scwrl_824218330.pdb > /var/tmp/scwrl_824218330.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_824218330.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 T0306 can't currently be optimized by undertaker # naming current conformation FAMSD_TS4 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_2143777901.pdb -s /var/tmp/to_scwrl_2143777901.seq -o /var/tmp/from_scwrl_2143777901.pdb > /var/tmp/scwrl_2143777901.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2143777901.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 T0306 can't currently be optimized by undertaker # naming current conformation FAMSD_TS5 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_245573944.pdb -s /var/tmp/to_scwrl_245573944.seq -o /var/tmp/from_scwrl_245573944.pdb > /var/tmp/scwrl_245573944.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_245573944.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 94 # copying to AlignedFragments data structure # naming current conformation FAMS_TS1 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_104376664.pdb -s /var/tmp/to_scwrl_104376664.seq -o /var/tmp/from_scwrl_104376664.pdb > /var/tmp/scwrl_104376664.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_104376664.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 88 # copying to AlignedFragments data structure # naming current conformation FAMS_TS2 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_730967446.pdb -s /var/tmp/to_scwrl_730967446.seq -o /var/tmp/from_scwrl_730967446.pdb > /var/tmp/scwrl_730967446.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_730967446.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS2-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0306 can't currently be optimized by undertaker # naming current conformation FAMS_TS3 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_261690749.pdb -s /var/tmp/to_scwrl_261690749.seq -o /var/tmp/from_scwrl_261690749.pdb > /var/tmp/scwrl_261690749.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_261690749.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS3-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS4.pdb.gz looking for model 1 # Found a chain break before 89 # copying to AlignedFragments data structure # naming current conformation FAMS_TS4 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_689504934.pdb -s /var/tmp/to_scwrl_689504934.seq -o /var/tmp/from_scwrl_689504934.pdb > /var/tmp/scwrl_689504934.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_689504934.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS4-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS5.pdb.gz looking for model 1 # Found a chain break before 94 # copying to AlignedFragments data structure # naming current conformation FAMS_TS5 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_1883485733.pdb -s /var/tmp/to_scwrl_1883485733.seq -o /var/tmp/from_scwrl_1883485733.pdb > /var/tmp/scwrl_1883485733.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1883485733.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 75 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS1 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_47206979.pdb -s /var/tmp/to_scwrl_47206979.seq -o /var/tmp/from_scwrl_47206979.pdb > /var/tmp/scwrl_47206979.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_47206979.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 79 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS2 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_1044923773.pdb -s /var/tmp/to_scwrl_1044923773.seq -o /var/tmp/from_scwrl_1044923773.pdb > /var/tmp/scwrl_1044923773.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1044923773.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 63 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS3 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_1756816883.pdb -s /var/tmp/to_scwrl_1756816883.seq -o /var/tmp/from_scwrl_1756816883.pdb > /var/tmp/scwrl_1756816883.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1756816883.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 60 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS4 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_535813764.pdb -s /var/tmp/to_scwrl_535813764.seq -o /var/tmp/from_scwrl_535813764.pdb > /var/tmp/scwrl_535813764.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_535813764.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 64 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS5 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_1563262189.pdb -s /var/tmp/to_scwrl_1563262189.seq -o /var/tmp/from_scwrl_1563262189.pdb > /var/tmp/scwrl_1563262189.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1563262189.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 T0306 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL1 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_293173780.pdb -s /var/tmp/to_scwrl_293173780.seq -o /var/tmp/from_scwrl_293173780.pdb > /var/tmp/scwrl_293173780.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_293173780.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 T0306 can't currently be optimized by undertaker # naming current conformation FORTE1_AL2 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_853574704.pdb -s /var/tmp/to_scwrl_853574704.seq -o /var/tmp/from_scwrl_853574704.pdb > /var/tmp/scwrl_853574704.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_853574704.pdb # conformation set from SCWRL output # naming current conformation FORTE1_AL2-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0306 can't currently be optimized by undertaker # naming current conformation FORTE1_AL3 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_1831847531.pdb -s /var/tmp/to_scwrl_1831847531.seq -o /var/tmp/from_scwrl_1831847531.pdb > /var/tmp/scwrl_1831847531.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1831847531.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 Skipped atom 59, because occupancy 1.0000000e+00 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 128, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 228, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 230, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 232, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 234, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz # WARNING: incomplete conformation T0306 can't currently be optimized by undertaker # naming current conformation FORTE1_AL4 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_1611930642.pdb -s /var/tmp/to_scwrl_1611930642.seq -o /var/tmp/from_scwrl_1611930642.pdb > /var/tmp/scwrl_1611930642.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1611930642.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 T0306 can't currently be optimized by undertaker # naming current conformation FORTE1_AL5 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_1955999667.pdb -s /var/tmp/to_scwrl_1955999667.seq -o /var/tmp/from_scwrl_1955999667.pdb > /var/tmp/scwrl_1955999667.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1955999667.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 T0306 can't currently be optimized by undertaker # naming current conformation FORTE2_AL1 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_1452163121.pdb -s /var/tmp/to_scwrl_1452163121.seq -o /var/tmp/from_scwrl_1452163121.pdb > /var/tmp/scwrl_1452163121.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1452163121.pdb # conformation set from SCWRL output # naming current conformation FORTE2_AL1-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0306 can't currently be optimized by undertaker # naming current conformation FORTE2_AL2 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_1707246082.pdb -s /var/tmp/to_scwrl_1707246082.seq -o /var/tmp/from_scwrl_1707246082.pdb > /var/tmp/scwrl_1707246082.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1707246082.pdb # conformation set from SCWRL output # naming current conformation FORTE2_AL2-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL3.pdb.gz looking for model 1 Skipped atom 59, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL3.pdb.gz Skipped atom 128, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL3.pdb.gz Skipped atom 228, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL3.pdb.gz Skipped atom 230, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL3.pdb.gz Skipped atom 232, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL3.pdb.gz Skipped atom 234, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL3.pdb.gz # WARNING: incomplete conformation T0306 can't currently be optimized by undertaker # naming current conformation FORTE2_AL3 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_1022573711.pdb -s /var/tmp/to_scwrl_1022573711.seq -o /var/tmp/from_scwrl_1022573711.pdb > /var/tmp/scwrl_1022573711.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1022573711.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 T0306 can't currently be optimized by undertaker # naming current conformation FORTE2_AL4 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_2086690082.pdb -s /var/tmp/to_scwrl_2086690082.seq -o /var/tmp/from_scwrl_2086690082.pdb > /var/tmp/scwrl_2086690082.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2086690082.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 T0306 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE2_AL5 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_2051626151.pdb -s /var/tmp/to_scwrl_2051626151.seq -o /var/tmp/from_scwrl_2051626151.pdb > /var/tmp/scwrl_2051626151.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2051626151.pdb # conformation set from SCWRL output # naming current conformation FORTE2_AL5-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS1.pdb.gz looking for model 1 # Found a chain break before 53 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS1 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_2140482140.pdb -s /var/tmp/to_scwrl_2140482140.seq -o /var/tmp/from_scwrl_2140482140.pdb > /var/tmp/scwrl_2140482140.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2140482140.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS1-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0306 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS2 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_842647307.pdb -s /var/tmp/to_scwrl_842647307.seq -o /var/tmp/from_scwrl_842647307.pdb > /var/tmp/scwrl_842647307.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_842647307.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS2-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS3.pdb.gz looking for model 1 # Found a chain break before 80 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS3 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_1335607740.pdb -s /var/tmp/to_scwrl_1335607740.seq -o /var/tmp/from_scwrl_1335607740.pdb > /var/tmp/scwrl_1335607740.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1335607740.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS3-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0306 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS4 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_1131075948.pdb -s /var/tmp/to_scwrl_1131075948.seq -o /var/tmp/from_scwrl_1131075948.pdb > /var/tmp/scwrl_1131075948.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1131075948.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS4-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0306 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS5 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_1223580861.pdb -s /var/tmp/to_scwrl_1223580861.seq -o /var/tmp/from_scwrl_1223580861.pdb > /var/tmp/scwrl_1223580861.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1223580861.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 T0306 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL1 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_86518664.pdb -s /var/tmp/to_scwrl_86518664.seq -o /var/tmp/from_scwrl_86518664.pdb > /var/tmp/scwrl_86518664.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_86518664.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 T0306 can't currently be optimized by undertaker # naming current conformation FUGUE_AL2 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_96217288.pdb -s /var/tmp/to_scwrl_96217288.seq -o /var/tmp/from_scwrl_96217288.pdb > /var/tmp/scwrl_96217288.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_96217288.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 T0306 can't currently be optimized by undertaker # naming current conformation FUGUE_AL3 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_1514082831.pdb -s /var/tmp/to_scwrl_1514082831.seq -o /var/tmp/from_scwrl_1514082831.pdb > /var/tmp/scwrl_1514082831.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1514082831.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 T0306 can't currently be optimized by undertaker # naming current conformation FUGUE_AL4 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_910736994.pdb -s /var/tmp/to_scwrl_910736994.seq -o /var/tmp/from_scwrl_910736994.pdb > /var/tmp/scwrl_910736994.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_910736994.pdb # conformation set from SCWRL output # naming current conformation FUGUE_AL4-scwrl # ReadConformPDB reading from PDB file servers/FUGUE_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0306 can't currently be optimized by undertaker # naming current conformation FUGUE_AL5 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_92511542.pdb -s /var/tmp/to_scwrl_92511542.seq -o /var/tmp/from_scwrl_92511542.pdb > /var/tmp/scwrl_92511542.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_92511542.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 93 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS1 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_1759656775.pdb -s /var/tmp/to_scwrl_1759656775.seq -o /var/tmp/from_scwrl_1759656775.pdb > /var/tmp/scwrl_1759656775.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1759656775.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 94 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS2 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_1015113659.pdb -s /var/tmp/to_scwrl_1015113659.seq -o /var/tmp/from_scwrl_1015113659.pdb > /var/tmp/scwrl_1015113659.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1015113659.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 93 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS3 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_823478989.pdb -s /var/tmp/to_scwrl_823478989.seq -o /var/tmp/from_scwrl_823478989.pdb > /var/tmp/scwrl_823478989.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_823478989.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 93 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS4 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_2021347525.pdb -s /var/tmp/to_scwrl_2021347525.seq -o /var/tmp/from_scwrl_2021347525.pdb > /var/tmp/scwrl_2021347525.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2021347525.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 89 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS5 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_1704618592.pdb -s /var/tmp/to_scwrl_1704618592.seq -o /var/tmp/from_scwrl_1704618592.pdb > /var/tmp/scwrl_1704618592.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1704618592.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 # Found a chain break before 87 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS1 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_559481075.pdb -s /var/tmp/to_scwrl_559481075.seq -o /var/tmp/from_scwrl_559481075.pdb > /var/tmp/scwrl_559481075.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_559481075.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 91 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS2 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_2068554504.pdb -s /var/tmp/to_scwrl_2068554504.seq -o /var/tmp/from_scwrl_2068554504.pdb > /var/tmp/scwrl_2068554504.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2068554504.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS2-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS3.pdb.gz looking for model 1 # Found a chain break before 50 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS3 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_602058719.pdb -s /var/tmp/to_scwrl_602058719.seq -o /var/tmp/from_scwrl_602058719.pdb > /var/tmp/scwrl_602058719.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_602058719.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 70 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS4 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_168814312.pdb -s /var/tmp/to_scwrl_168814312.seq -o /var/tmp/from_scwrl_168814312.pdb > /var/tmp/scwrl_168814312.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_168814312.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 54 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS5 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_456884621.pdb -s /var/tmp/to_scwrl_456884621.seq -o /var/tmp/from_scwrl_456884621.pdb > /var/tmp/scwrl_456884621.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_456884621.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 85 # copying to AlignedFragments data structure # naming current conformation HHpred1_TS1 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_17837261.pdb -s /var/tmp/to_scwrl_17837261.seq -o /var/tmp/from_scwrl_17837261.pdb > /var/tmp/scwrl_17837261.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_17837261.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 85 # copying to AlignedFragments data structure # naming current conformation HHpred2_TS1 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_461988092.pdb -s /var/tmp/to_scwrl_461988092.seq -o /var/tmp/from_scwrl_461988092.pdb > /var/tmp/scwrl_461988092.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_461988092.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 82 # copying to AlignedFragments data structure # naming current conformation HHpred3_TS1 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_1310459325.pdb -s /var/tmp/to_scwrl_1310459325.seq -o /var/tmp/from_scwrl_1310459325.pdb > /var/tmp/scwrl_1310459325.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1310459325.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 T0306 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS1 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_1849684793.pdb -s /var/tmp/to_scwrl_1849684793.seq -o /var/tmp/from_scwrl_1849684793.pdb > /var/tmp/scwrl_1849684793.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1849684793.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 T0306 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS2 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_2073918734.pdb -s /var/tmp/to_scwrl_2073918734.seq -o /var/tmp/from_scwrl_2073918734.pdb > /var/tmp/scwrl_2073918734.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2073918734.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 T0306 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS3 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_1118975345.pdb -s /var/tmp/to_scwrl_1118975345.seq -o /var/tmp/from_scwrl_1118975345.pdb > /var/tmp/scwrl_1118975345.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1118975345.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 T0306 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS4 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_1154364267.pdb -s /var/tmp/to_scwrl_1154364267.seq -o /var/tmp/from_scwrl_1154364267.pdb > /var/tmp/scwrl_1154364267.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1154364267.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 T0306 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS5 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_1633681169.pdb -s /var/tmp/to_scwrl_1633681169.seq -o /var/tmp/from_scwrl_1633681169.pdb > /var/tmp/scwrl_1633681169.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1633681169.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 T0306 can't currently be optimized by undertaker # naming current conformation LOOPP_TS1 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_2141549056.pdb -s /var/tmp/to_scwrl_2141549056.seq -o /var/tmp/from_scwrl_2141549056.pdb > /var/tmp/scwrl_2141549056.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2141549056.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 T0306 can't currently be optimized by undertaker # naming current conformation LOOPP_TS2 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_1093570703.pdb -s /var/tmp/to_scwrl_1093570703.seq -o /var/tmp/from_scwrl_1093570703.pdb > /var/tmp/scwrl_1093570703.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1093570703.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 # Found a chain break before 82 # copying to AlignedFragments data structure # naming current conformation LOOPP_TS3 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_1537823674.pdb -s /var/tmp/to_scwrl_1537823674.seq -o /var/tmp/from_scwrl_1537823674.pdb > /var/tmp/scwrl_1537823674.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1537823674.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 # Found a chain break before 85 # copying to AlignedFragments data structure # naming current conformation LOOPP_TS4 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_2134547549.pdb -s /var/tmp/to_scwrl_2134547549.seq -o /var/tmp/from_scwrl_2134547549.pdb > /var/tmp/scwrl_2134547549.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2134547549.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 T0306 can't currently be optimized by undertaker # naming current conformation LOOPP_TS5 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_1936218010.pdb -s /var/tmp/to_scwrl_1936218010.seq -o /var/tmp/from_scwrl_1936218010.pdb > /var/tmp/scwrl_1936218010.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1936218010.pdb # conformation set from SCWRL output # naming current conformation LOOPP_TS5-scwrl # ReadConformPDB reading from PDB file servers/MIG_FROST_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0306 can't currently be optimized by undertaker # naming current conformation MIG_FROST_AL1 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_725947768.pdb -s /var/tmp/to_scwrl_725947768.seq -o /var/tmp/from_scwrl_725947768.pdb > /var/tmp/scwrl_725947768.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_725947768.pdb # conformation set from SCWRL output # naming current conformation MIG_FROST_AL1-scwrl # ReadConformPDB reading from PDB file servers/MIG_FROST_FLEX_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0306 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation MIG_FROST_FLEX_AL1 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_1118139850.pdb -s /var/tmp/to_scwrl_1118139850.seq -o /var/tmp/from_scwrl_1118139850.pdb > /var/tmp/scwrl_1118139850.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1118139850.pdb # conformation set from SCWRL output # naming current conformation MIG_FROST_FLEX_AL1-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS1.pdb.gz looking for model 1 # Found a chain break before 78 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS1 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_1012315225.pdb -s /var/tmp/to_scwrl_1012315225.seq -o /var/tmp/from_scwrl_1012315225.pdb > /var/tmp/scwrl_1012315225.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1012315225.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 76 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS2 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_812466433.pdb -s /var/tmp/to_scwrl_812466433.seq -o /var/tmp/from_scwrl_812466433.pdb > /var/tmp/scwrl_812466433.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_812466433.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 29 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS3 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_1214357138.pdb -s /var/tmp/to_scwrl_1214357138.seq -o /var/tmp/from_scwrl_1214357138.pdb > /var/tmp/scwrl_1214357138.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1214357138.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 94 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS4 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_378914409.pdb -s /var/tmp/to_scwrl_378914409.seq -o /var/tmp/from_scwrl_378914409.pdb > /var/tmp/scwrl_378914409.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_378914409.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 77 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS5 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_1723203426.pdb -s /var/tmp/to_scwrl_1723203426.seq -o /var/tmp/from_scwrl_1723203426.pdb > /var/tmp/scwrl_1723203426.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1723203426.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 94 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS1 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_1306868681.pdb -s /var/tmp/to_scwrl_1306868681.seq -o /var/tmp/from_scwrl_1306868681.pdb > /var/tmp/scwrl_1306868681.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1306868681.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 94 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS2 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_2138571184.pdb -s /var/tmp/to_scwrl_2138571184.seq -o /var/tmp/from_scwrl_2138571184.pdb > /var/tmp/scwrl_2138571184.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2138571184.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 94 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS3 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_590833438.pdb -s /var/tmp/to_scwrl_590833438.seq -o /var/tmp/from_scwrl_590833438.pdb > /var/tmp/scwrl_590833438.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_590833438.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 94 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS4 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_2130347670.pdb -s /var/tmp/to_scwrl_2130347670.seq -o /var/tmp/from_scwrl_2130347670.pdb > /var/tmp/scwrl_2130347670.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2130347670.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 94 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS5 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_2012435062.pdb -s /var/tmp/to_scwrl_2012435062.seq -o /var/tmp/from_scwrl_2012435062.pdb > /var/tmp/scwrl_2012435062.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2012435062.pdb # conformation set from SCWRL output # naming current conformation MetaTasser_TS5-scwrl # ReadConformPDB reading from PDB file servers/NN_PUT_lab_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0306 can't currently be optimized by undertaker # naming current conformation NN_PUT_lab_TS1 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_147968384.pdb -s /var/tmp/to_scwrl_147968384.seq -o /var/tmp/from_scwrl_147968384.pdb > /var/tmp/scwrl_147968384.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_147968384.pdb # conformation set from SCWRL output # naming current conformation NN_PUT_lab_TS1-scwrl # ReadConformPDB reading from PDB file servers/POMYSL_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0306 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation POMYSL_TS2 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_542345098.pdb -s /var/tmp/to_scwrl_542345098.seq -o /var/tmp/from_scwrl_542345098.pdb > /var/tmp/scwrl_542345098.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_542345098.pdb # conformation set from SCWRL output # naming current conformation POMYSL_TS2-scwrl # ReadConformPDB reading from PDB file servers/POMYSL_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0306 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation POMYSL_TS5 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_1933505920.pdb -s /var/tmp/to_scwrl_1933505920.seq -o /var/tmp/from_scwrl_1933505920.pdb > /var/tmp/scwrl_1933505920.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1933505920.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 86 ; scwrl3 -i /var/tmp/to_scwrl_750027103.pdb -s /var/tmp/to_scwrl_750027103.seq -o /var/tmp/from_scwrl_750027103.pdb > /var/tmp/scwrl_750027103.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_750027103.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 86 ; scwrl3 -i /var/tmp/to_scwrl_711159410.pdb -s /var/tmp/to_scwrl_711159410.seq -o /var/tmp/from_scwrl_711159410.pdb > /var/tmp/scwrl_711159410.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_711159410.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 86 ; scwrl3 -i /var/tmp/to_scwrl_242906894.pdb -s /var/tmp/to_scwrl_242906894.seq -o /var/tmp/from_scwrl_242906894.pdb > /var/tmp/scwrl_242906894.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_242906894.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 86 ; scwrl3 -i /var/tmp/to_scwrl_767864364.pdb -s /var/tmp/to_scwrl_767864364.seq -o /var/tmp/from_scwrl_767864364.pdb > /var/tmp/scwrl_767864364.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_767864364.pdb # conformation set from SCWRL output # naming current conformation PROTINFO-AB_TS4-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS1.pdb.gz looking for model 1 # Found a chain break before 75 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS1 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_1173147501.pdb -s /var/tmp/to_scwrl_1173147501.seq -o /var/tmp/from_scwrl_1173147501.pdb > /var/tmp/scwrl_1173147501.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1173147501.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS1-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0306 can't currently be optimized by undertaker # naming current conformation PROTINFO_TS2 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_1553366219.pdb -s /var/tmp/to_scwrl_1553366219.seq -o /var/tmp/from_scwrl_1553366219.pdb > /var/tmp/scwrl_1553366219.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1553366219.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS2-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0306 can't currently be optimized by undertaker # naming current conformation PROTINFO_TS3 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_470065510.pdb -s /var/tmp/to_scwrl_470065510.seq -o /var/tmp/from_scwrl_470065510.pdb > /var/tmp/scwrl_470065510.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_470065510.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS3-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0306 can't currently be optimized by undertaker # naming current conformation PROTINFO_TS4 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_1099582589.pdb -s /var/tmp/to_scwrl_1099582589.seq -o /var/tmp/from_scwrl_1099582589.pdb > /var/tmp/scwrl_1099582589.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1099582589.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS4-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0306 can't currently be optimized by undertaker # naming current conformation PROTINFO_TS5 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_524857918.pdb -s /var/tmp/to_scwrl_524857918.seq -o /var/tmp/from_scwrl_524857918.pdb > /var/tmp/scwrl_524857918.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_524857918.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 T0306 can't currently be optimized by undertaker # naming current conformation Pcons6_TS1 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_1624429778.pdb -s /var/tmp/to_scwrl_1624429778.seq -o /var/tmp/from_scwrl_1624429778.pdb > /var/tmp/scwrl_1624429778.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1624429778.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 T0306 can't currently be optimized by undertaker # naming current conformation Pcons6_TS2 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_585780112.pdb -s /var/tmp/to_scwrl_585780112.seq -o /var/tmp/from_scwrl_585780112.pdb > /var/tmp/scwrl_585780112.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_585780112.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 T0306 can't currently be optimized by undertaker # naming current conformation Pcons6_TS3 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_518923328.pdb -s /var/tmp/to_scwrl_518923328.seq -o /var/tmp/from_scwrl_518923328.pdb > /var/tmp/scwrl_518923328.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_518923328.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 T0306 can't currently be optimized by undertaker # naming current conformation Pcons6_TS4 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_570516835.pdb -s /var/tmp/to_scwrl_570516835.seq -o /var/tmp/from_scwrl_570516835.pdb > /var/tmp/scwrl_570516835.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_570516835.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 T0306 can't currently be optimized by undertaker # naming current conformation Pcons6_TS5 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_2123603786.pdb -s /var/tmp/to_scwrl_2123603786.seq -o /var/tmp/from_scwrl_2123603786.pdb > /var/tmp/scwrl_2123603786.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2123603786.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 T0306 can't currently be optimized by undertaker # naming current conformation Phyre-1_TS1 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_505987230.pdb -s /var/tmp/to_scwrl_505987230.seq -o /var/tmp/from_scwrl_505987230.pdb > /var/tmp/scwrl_505987230.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_505987230.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 T0306 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 86 ; scwrl3 -i /var/tmp/to_scwrl_359251198.pdb -s /var/tmp/to_scwrl_359251198.seq -o /var/tmp/from_scwrl_359251198.pdb > /var/tmp/scwrl_359251198.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_359251198.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 T0306 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 86 ; scwrl3 -i /var/tmp/to_scwrl_702067908.pdb -s /var/tmp/to_scwrl_702067908.seq -o /var/tmp/from_scwrl_702067908.pdb > /var/tmp/scwrl_702067908.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_702067908.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 T0306 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS3 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_1624127081.pdb -s /var/tmp/to_scwrl_1624127081.seq -o /var/tmp/from_scwrl_1624127081.pdb > /var/tmp/scwrl_1624127081.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1624127081.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 T0306 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 86 ; scwrl3 -i /var/tmp/to_scwrl_1371566422.pdb -s /var/tmp/to_scwrl_1371566422.seq -o /var/tmp/from_scwrl_1371566422.pdb > /var/tmp/scwrl_1371566422.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1371566422.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 T0306 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 86 ; scwrl3 -i /var/tmp/to_scwrl_1514534340.pdb -s /var/tmp/to_scwrl_1514534340.seq -o /var/tmp/from_scwrl_1514534340.pdb > /var/tmp/scwrl_1514534340.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1514534340.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 T0306 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS1 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_691000573.pdb -s /var/tmp/to_scwrl_691000573.seq -o /var/tmp/from_scwrl_691000573.pdb > /var/tmp/scwrl_691000573.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_691000573.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS1-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0306 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS2 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_1750480831.pdb -s /var/tmp/to_scwrl_1750480831.seq -o /var/tmp/from_scwrl_1750480831.pdb > /var/tmp/scwrl_1750480831.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1750480831.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS2-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0306 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS3 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_1090254119.pdb -s /var/tmp/to_scwrl_1090254119.seq -o /var/tmp/from_scwrl_1090254119.pdb > /var/tmp/scwrl_1090254119.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1090254119.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 T0306 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS4 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_1997869254.pdb -s /var/tmp/to_scwrl_1997869254.seq -o /var/tmp/from_scwrl_1997869254.pdb > /var/tmp/scwrl_1997869254.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1997869254.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS4-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0306 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS5 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_1741568368.pdb -s /var/tmp/to_scwrl_1741568368.seq -o /var/tmp/from_scwrl_1741568368.pdb > /var/tmp/scwrl_1741568368.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1741568368.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 50 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS1 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_1681087558.pdb -s /var/tmp/to_scwrl_1681087558.seq -o /var/tmp/from_scwrl_1681087558.pdb > /var/tmp/scwrl_1681087558.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1681087558.pdb # conformation set from SCWRL output # naming current conformation RAPTOR-ACE_TS1-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS2.pdb.gz looking for model 1 # Found a chain break before 70 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS2 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_1980733277.pdb -s /var/tmp/to_scwrl_1980733277.seq -o /var/tmp/from_scwrl_1980733277.pdb > /var/tmp/scwrl_1980733277.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1980733277.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 57 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS3 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_1606519784.pdb -s /var/tmp/to_scwrl_1606519784.seq -o /var/tmp/from_scwrl_1606519784.pdb > /var/tmp/scwrl_1606519784.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1606519784.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 48 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS4 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_1829055942.pdb -s /var/tmp/to_scwrl_1829055942.seq -o /var/tmp/from_scwrl_1829055942.pdb > /var/tmp/scwrl_1829055942.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1829055942.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 78 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS5 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_375594729.pdb -s /var/tmp/to_scwrl_375594729.seq -o /var/tmp/from_scwrl_375594729.pdb > /var/tmp/scwrl_375594729.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_375594729.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 81 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS1 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_1392542057.pdb -s /var/tmp/to_scwrl_1392542057.seq -o /var/tmp/from_scwrl_1392542057.pdb > /var/tmp/scwrl_1392542057.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1392542057.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 46 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS2 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_431599398.pdb -s /var/tmp/to_scwrl_431599398.seq -o /var/tmp/from_scwrl_431599398.pdb > /var/tmp/scwrl_431599398.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_431599398.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 86 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS3 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_1086754138.pdb -s /var/tmp/to_scwrl_1086754138.seq -o /var/tmp/from_scwrl_1086754138.pdb > /var/tmp/scwrl_1086754138.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1086754138.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 73 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS4 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_1635448951.pdb -s /var/tmp/to_scwrl_1635448951.seq -o /var/tmp/from_scwrl_1635448951.pdb > /var/tmp/scwrl_1635448951.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1635448951.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 85 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS5 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_1199463761.pdb -s /var/tmp/to_scwrl_1199463761.seq -o /var/tmp/from_scwrl_1199463761.pdb > /var/tmp/scwrl_1199463761.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1199463761.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 82 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS1 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_112417994.pdb -s /var/tmp/to_scwrl_112417994.seq -o /var/tmp/from_scwrl_112417994.pdb > /var/tmp/scwrl_112417994.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_112417994.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 74 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS2 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_1041331525.pdb -s /var/tmp/to_scwrl_1041331525.seq -o /var/tmp/from_scwrl_1041331525.pdb > /var/tmp/scwrl_1041331525.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1041331525.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 85 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS3 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_1669529272.pdb -s /var/tmp/to_scwrl_1669529272.seq -o /var/tmp/from_scwrl_1669529272.pdb > /var/tmp/scwrl_1669529272.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1669529272.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 73 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS4 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_1212000583.pdb -s /var/tmp/to_scwrl_1212000583.seq -o /var/tmp/from_scwrl_1212000583.pdb > /var/tmp/scwrl_1212000583.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1212000583.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 64 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS5 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_1566189442.pdb -s /var/tmp/to_scwrl_1566189442.seq -o /var/tmp/from_scwrl_1566189442.pdb > /var/tmp/scwrl_1566189442.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1566189442.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 85 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS1 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_1146475403.pdb -s /var/tmp/to_scwrl_1146475403.seq -o /var/tmp/from_scwrl_1146475403.pdb > /var/tmp/scwrl_1146475403.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1146475403.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 91 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS2 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_1797780695.pdb -s /var/tmp/to_scwrl_1797780695.seq -o /var/tmp/from_scwrl_1797780695.pdb > /var/tmp/scwrl_1797780695.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1797780695.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 91 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS3 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_2085112770.pdb -s /var/tmp/to_scwrl_2085112770.seq -o /var/tmp/from_scwrl_2085112770.pdb > /var/tmp/scwrl_2085112770.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2085112770.pdb # conformation set from SCWRL output # naming current conformation ROBETTA_TS3-scwrl # ReadConformPDB reading from PDB file servers/ROBETTA_TS4.pdb.gz looking for model 1 # naming current conformation ROBETTA_TS4 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_1716992238.pdb -s /var/tmp/to_scwrl_1716992238.seq -o /var/tmp/from_scwrl_1716992238.pdb > /var/tmp/scwrl_1716992238.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1716992238.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 93 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS5 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_1773900835.pdb -s /var/tmp/to_scwrl_1773900835.seq -o /var/tmp/from_scwrl_1773900835.pdb > /var/tmp/scwrl_1773900835.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1773900835.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 T0306 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS1 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_443616354.pdb -s /var/tmp/to_scwrl_443616354.seq -o /var/tmp/from_scwrl_443616354.pdb > /var/tmp/scwrl_443616354.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_443616354.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 T0306 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS2 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_2076243436.pdb -s /var/tmp/to_scwrl_2076243436.seq -o /var/tmp/from_scwrl_2076243436.pdb > /var/tmp/scwrl_2076243436.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2076243436.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 T0306 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS3 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_328485096.pdb -s /var/tmp/to_scwrl_328485096.seq -o /var/tmp/from_scwrl_328485096.pdb > /var/tmp/scwrl_328485096.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_328485096.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 T0306 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS4 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_2067743435.pdb -s /var/tmp/to_scwrl_2067743435.seq -o /var/tmp/from_scwrl_2067743435.pdb > /var/tmp/scwrl_2067743435.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2067743435.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 T0306 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS5 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_1300326211.pdb -s /var/tmp/to_scwrl_1300326211.seq -o /var/tmp/from_scwrl_1300326211.pdb > /var/tmp/scwrl_1300326211.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1300326211.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 Skipped atom 105, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 106, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 107, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 108, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz # WARNING: incomplete conformation T0306 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL1 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_1843019436.pdb -s /var/tmp/to_scwrl_1843019436.seq -o /var/tmp/from_scwrl_1843019436.pdb > /var/tmp/scwrl_1843019436.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1843019436.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 T0306 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL2 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_611260361.pdb -s /var/tmp/to_scwrl_611260361.seq -o /var/tmp/from_scwrl_611260361.pdb > /var/tmp/scwrl_611260361.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_611260361.pdb # conformation set from SCWRL output # naming current conformation SAM-T02_AL2-scwrl # ReadConformPDB reading from PDB file servers/SAM-T02_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0306 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL3 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_903323396.pdb -s /var/tmp/to_scwrl_903323396.seq -o /var/tmp/from_scwrl_903323396.pdb > /var/tmp/scwrl_903323396.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_903323396.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 T0306 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL4 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_785789909.pdb -s /var/tmp/to_scwrl_785789909.seq -o /var/tmp/from_scwrl_785789909.pdb > /var/tmp/scwrl_785789909.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_785789909.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 T0306 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL5 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_461645969.pdb -s /var/tmp/to_scwrl_461645969.seq -o /var/tmp/from_scwrl_461645969.pdb > /var/tmp/scwrl_461645969.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_461645969.pdb # conformation set from SCWRL output # naming current conformation SAM-T02_AL5-scwrl # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS1.pdb.gz looking for model 1 # Found a chain break before 87 # copying to AlignedFragments data structure # naming current conformation SAM_T06_server_TS1 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_497408117.pdb -s /var/tmp/to_scwrl_497408117.seq -o /var/tmp/from_scwrl_497408117.pdb > /var/tmp/scwrl_497408117.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_497408117.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 T0306 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS2 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_319393820.pdb -s /var/tmp/to_scwrl_319393820.seq -o /var/tmp/from_scwrl_319393820.pdb > /var/tmp/scwrl_319393820.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_319393820.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 T0306 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation SAM_T06_server_TS3 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_294895599.pdb -s /var/tmp/to_scwrl_294895599.seq -o /var/tmp/from_scwrl_294895599.pdb > /var/tmp/scwrl_294895599.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_294895599.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 T0306 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS4 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_2103927901.pdb -s /var/tmp/to_scwrl_2103927901.seq -o /var/tmp/from_scwrl_2103927901.pdb > /var/tmp/scwrl_2103927901.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2103927901.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 T0306 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS5 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_966115.pdb -s /var/tmp/to_scwrl_966115.seq -o /var/tmp/from_scwrl_966115.pdb > /var/tmp/scwrl_966115.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_966115.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 26 # copying to AlignedFragments data structure # naming current conformation SP3_TS1 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_670490328.pdb -s /var/tmp/to_scwrl_670490328.seq -o /var/tmp/from_scwrl_670490328.pdb > /var/tmp/scwrl_670490328.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_670490328.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 75 # copying to AlignedFragments data structure # naming current conformation SP3_TS2 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_1348986311.pdb -s /var/tmp/to_scwrl_1348986311.seq -o /var/tmp/from_scwrl_1348986311.pdb > /var/tmp/scwrl_1348986311.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1348986311.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 50 # copying to AlignedFragments data structure # naming current conformation SP3_TS3 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_432565513.pdb -s /var/tmp/to_scwrl_432565513.seq -o /var/tmp/from_scwrl_432565513.pdb > /var/tmp/scwrl_432565513.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_432565513.pdb # conformation set from SCWRL output # naming current conformation SP3_TS3-scwrl # ReadConformPDB reading from PDB file servers/SP3_TS4.pdb.gz looking for model 1 # Found a chain break before 49 # copying to AlignedFragments data structure # naming current conformation SP3_TS4 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_1757244467.pdb -s /var/tmp/to_scwrl_1757244467.seq -o /var/tmp/from_scwrl_1757244467.pdb > /var/tmp/scwrl_1757244467.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1757244467.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 70 # copying to AlignedFragments data structure # naming current conformation SP3_TS5 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_836951617.pdb -s /var/tmp/to_scwrl_836951617.seq -o /var/tmp/from_scwrl_836951617.pdb > /var/tmp/scwrl_836951617.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_836951617.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 90 # copying to AlignedFragments data structure # naming current conformation SP4_TS1 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_1632029275.pdb -s /var/tmp/to_scwrl_1632029275.seq -o /var/tmp/from_scwrl_1632029275.pdb > /var/tmp/scwrl_1632029275.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1632029275.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 82 # copying to AlignedFragments data structure # naming current conformation SP4_TS2 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_1869662461.pdb -s /var/tmp/to_scwrl_1869662461.seq -o /var/tmp/from_scwrl_1869662461.pdb > /var/tmp/scwrl_1869662461.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1869662461.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 83 # copying to AlignedFragments data structure # naming current conformation SP4_TS3 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_1878283141.pdb -s /var/tmp/to_scwrl_1878283141.seq -o /var/tmp/from_scwrl_1878283141.pdb > /var/tmp/scwrl_1878283141.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1878283141.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 88 # copying to AlignedFragments data structure # naming current conformation SP4_TS4 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_1154074900.pdb -s /var/tmp/to_scwrl_1154074900.seq -o /var/tmp/from_scwrl_1154074900.pdb > /var/tmp/scwrl_1154074900.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1154074900.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 77 # copying to AlignedFragments data structure # naming current conformation SP4_TS5 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_934179398.pdb -s /var/tmp/to_scwrl_934179398.seq -o /var/tmp/from_scwrl_934179398.pdb > /var/tmp/scwrl_934179398.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_934179398.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 92 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS1 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_1296988936.pdb -s /var/tmp/to_scwrl_1296988936.seq -o /var/tmp/from_scwrl_1296988936.pdb > /var/tmp/scwrl_1296988936.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1296988936.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 91 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS2 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_153066657.pdb -s /var/tmp/to_scwrl_153066657.seq -o /var/tmp/from_scwrl_153066657.pdb > /var/tmp/scwrl_153066657.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_153066657.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 65 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS3 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_584476446.pdb -s /var/tmp/to_scwrl_584476446.seq -o /var/tmp/from_scwrl_584476446.pdb > /var/tmp/scwrl_584476446.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_584476446.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 88 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS4 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_1234618060.pdb -s /var/tmp/to_scwrl_1234618060.seq -o /var/tmp/from_scwrl_1234618060.pdb > /var/tmp/scwrl_1234618060.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1234618060.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 50 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS5 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_1870058895.pdb -s /var/tmp/to_scwrl_1870058895.seq -o /var/tmp/from_scwrl_1870058895.pdb > /var/tmp/scwrl_1870058895.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1870058895.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 T0306 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS1 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_210893634.pdb -s /var/tmp/to_scwrl_210893634.seq -o /var/tmp/from_scwrl_210893634.pdb > /var/tmp/scwrl_210893634.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_210893634.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 T0306 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS2 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_1678234414.pdb -s /var/tmp/to_scwrl_1678234414.seq -o /var/tmp/from_scwrl_1678234414.pdb > /var/tmp/scwrl_1678234414.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1678234414.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 T0306 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS3 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_1798818684.pdb -s /var/tmp/to_scwrl_1798818684.seq -o /var/tmp/from_scwrl_1798818684.pdb > /var/tmp/scwrl_1798818684.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1798818684.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 T0306 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS4 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_539378730.pdb -s /var/tmp/to_scwrl_539378730.seq -o /var/tmp/from_scwrl_539378730.pdb > /var/tmp/scwrl_539378730.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_539378730.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 T0306 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS5 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_1598494202.pdb -s /var/tmp/to_scwrl_1598494202.seq -o /var/tmp/from_scwrl_1598494202.pdb > /var/tmp/scwrl_1598494202.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1598494202.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_bnmx_TS5-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_expm_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0306 can't currently be optimized by undertaker # naming current conformation UNI-EID_expm_TS1 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_951661249.pdb -s /var/tmp/to_scwrl_951661249.seq -o /var/tmp/from_scwrl_951661249.pdb > /var/tmp/scwrl_951661249.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_951661249.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_expm_TS1-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0306 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL1 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_234914519.pdb -s /var/tmp/to_scwrl_234914519.seq -o /var/tmp/from_scwrl_234914519.pdb > /var/tmp/scwrl_234914519.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_234914519.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 T0306 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL2 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_62270916.pdb -s /var/tmp/to_scwrl_62270916.seq -o /var/tmp/from_scwrl_62270916.pdb > /var/tmp/scwrl_62270916.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_62270916.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 T0306 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL3 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_1854984644.pdb -s /var/tmp/to_scwrl_1854984644.seq -o /var/tmp/from_scwrl_1854984644.pdb > /var/tmp/scwrl_1854984644.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1854984644.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_sfst_AL3-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0306 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL4 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_1020704429.pdb -s /var/tmp/to_scwrl_1020704429.seq -o /var/tmp/from_scwrl_1020704429.pdb > /var/tmp/scwrl_1020704429.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1020704429.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 T0306 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL5 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_523916885.pdb -s /var/tmp/to_scwrl_523916885.seq -o /var/tmp/from_scwrl_523916885.pdb > /var/tmp/scwrl_523916885.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_523916885.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 92 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS1 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_204909114.pdb -s /var/tmp/to_scwrl_204909114.seq -o /var/tmp/from_scwrl_204909114.pdb > /var/tmp/scwrl_204909114.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_204909114.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 92 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS2 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_1340098248.pdb -s /var/tmp/to_scwrl_1340098248.seq -o /var/tmp/from_scwrl_1340098248.pdb > /var/tmp/scwrl_1340098248.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1340098248.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 93 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS3 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_818812485.pdb -s /var/tmp/to_scwrl_818812485.seq -o /var/tmp/from_scwrl_818812485.pdb > /var/tmp/scwrl_818812485.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_818812485.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 92 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS4 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_161353369.pdb -s /var/tmp/to_scwrl_161353369.seq -o /var/tmp/from_scwrl_161353369.pdb > /var/tmp/scwrl_161353369.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_161353369.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 91 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS5 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_1341064364.pdb -s /var/tmp/to_scwrl_1341064364.seq -o /var/tmp/from_scwrl_1341064364.pdb > /var/tmp/scwrl_1341064364.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1341064364.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 94 # copying to AlignedFragments data structure # naming current conformation beautshot_TS1 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_1489302812.pdb -s /var/tmp/to_scwrl_1489302812.seq -o /var/tmp/from_scwrl_1489302812.pdb > /var/tmp/scwrl_1489302812.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1489302812.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 T0306 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation beautshotbase_TS1 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_1510339680.pdb -s /var/tmp/to_scwrl_1510339680.seq -o /var/tmp/from_scwrl_1510339680.pdb > /var/tmp/scwrl_1510339680.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1510339680.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 T0306 can't currently be optimized by undertaker # naming current conformation forecast-s_AL1 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_1773629877.pdb -s /var/tmp/to_scwrl_1773629877.seq -o /var/tmp/from_scwrl_1773629877.pdb > /var/tmp/scwrl_1773629877.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1773629877.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 T0306 can't currently be optimized by undertaker # naming current conformation forecast-s_AL2 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_1099063632.pdb -s /var/tmp/to_scwrl_1099063632.seq -o /var/tmp/from_scwrl_1099063632.pdb > /var/tmp/scwrl_1099063632.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1099063632.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 T0306 can't currently be optimized by undertaker # naming current conformation forecast-s_AL3 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_199807650.pdb -s /var/tmp/to_scwrl_199807650.seq -o /var/tmp/from_scwrl_199807650.pdb > /var/tmp/scwrl_199807650.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_199807650.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 T0306 can't currently be optimized by undertaker # naming current conformation forecast-s_AL4 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_1258175505.pdb -s /var/tmp/to_scwrl_1258175505.seq -o /var/tmp/from_scwrl_1258175505.pdb > /var/tmp/scwrl_1258175505.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1258175505.pdb # conformation set from SCWRL output # naming current conformation forecast-s_AL4-scwrl # ReadConformPDB reading from PDB file servers/forecast-s_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0306 can't currently be optimized by undertaker # naming current conformation forecast-s_AL5 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_821242447.pdb -s /var/tmp/to_scwrl_821242447.seq -o /var/tmp/from_scwrl_821242447.pdb > /var/tmp/scwrl_821242447.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_821242447.pdb # conformation set from SCWRL output # naming current conformation forecast-s_AL5-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS1.pdb.gz looking for model 1 # Found a chain break before 66 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS1 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_2078090791.pdb -s /var/tmp/to_scwrl_2078090791.seq -o /var/tmp/from_scwrl_2078090791.pdb > /var/tmp/scwrl_2078090791.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2078090791.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 42 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS2 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_264766759.pdb -s /var/tmp/to_scwrl_264766759.seq -o /var/tmp/from_scwrl_264766759.pdb > /var/tmp/scwrl_264766759.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_264766759.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 70 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS3 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_1755421844.pdb -s /var/tmp/to_scwrl_1755421844.seq -o /var/tmp/from_scwrl_1755421844.pdb > /var/tmp/scwrl_1755421844.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1755421844.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 65 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS4 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_1227596081.pdb -s /var/tmp/to_scwrl_1227596081.seq -o /var/tmp/from_scwrl_1227596081.pdb > /var/tmp/scwrl_1227596081.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1227596081.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 54 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS5 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_417833416.pdb -s /var/tmp/to_scwrl_417833416.seq -o /var/tmp/from_scwrl_417833416.pdb > /var/tmp/scwrl_417833416.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_417833416.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 94 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS1 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_192414644.pdb -s /var/tmp/to_scwrl_192414644.seq -o /var/tmp/from_scwrl_192414644.pdb > /var/tmp/scwrl_192414644.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_192414644.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 93 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS2 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_314730495.pdb -s /var/tmp/to_scwrl_314730495.seq -o /var/tmp/from_scwrl_314730495.pdb > /var/tmp/scwrl_314730495.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_314730495.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 94 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS3 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_140408664.pdb -s /var/tmp/to_scwrl_140408664.seq -o /var/tmp/from_scwrl_140408664.pdb > /var/tmp/scwrl_140408664.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_140408664.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 92 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS4 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_403308278.pdb -s /var/tmp/to_scwrl_403308278.seq -o /var/tmp/from_scwrl_403308278.pdb > /var/tmp/scwrl_403308278.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_403308278.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 92 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS5 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_1992964909.pdb -s /var/tmp/to_scwrl_1992964909.seq -o /var/tmp/from_scwrl_1992964909.pdb > /var/tmp/scwrl_1992964909.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1992964909.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 # Found a chain break before 83 # copying to AlignedFragments data structure # naming current conformation karypis.srv_TS1 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_1939227348.pdb -s /var/tmp/to_scwrl_1939227348.seq -o /var/tmp/from_scwrl_1939227348.pdb > /var/tmp/scwrl_1939227348.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1939227348.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 T0306 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS2 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_942687009.pdb -s /var/tmp/to_scwrl_942687009.seq -o /var/tmp/from_scwrl_942687009.pdb > /var/tmp/scwrl_942687009.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_942687009.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 T0306 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS3 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_1443975464.pdb -s /var/tmp/to_scwrl_1443975464.seq -o /var/tmp/from_scwrl_1443975464.pdb > /var/tmp/scwrl_1443975464.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1443975464.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 T0306 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS4 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_743404950.pdb -s /var/tmp/to_scwrl_743404950.seq -o /var/tmp/from_scwrl_743404950.pdb > /var/tmp/scwrl_743404950.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_743404950.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 T0306 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS5 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_1177601527.pdb -s /var/tmp/to_scwrl_1177601527.seq -o /var/tmp/from_scwrl_1177601527.pdb > /var/tmp/scwrl_1177601527.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1177601527.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 # WARNING: incomplete conformation T0306 can't currently be optimized by undertaker # naming current conformation keasar-server_TS1 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_1506246380.pdb -s /var/tmp/to_scwrl_1506246380.seq -o /var/tmp/from_scwrl_1506246380.pdb > /var/tmp/scwrl_1506246380.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1506246380.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 # WARNING: incomplete conformation T0306 can't currently be optimized by undertaker # naming current conformation keasar-server_TS2 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_450905947.pdb -s /var/tmp/to_scwrl_450905947.seq -o /var/tmp/from_scwrl_450905947.pdb > /var/tmp/scwrl_450905947.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_450905947.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS2-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0306 can't currently be optimized by undertaker # naming current conformation keasar-server_TS3 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_50822309.pdb -s /var/tmp/to_scwrl_50822309.seq -o /var/tmp/from_scwrl_50822309.pdb > /var/tmp/scwrl_50822309.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_50822309.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 # WARNING: incomplete conformation T0306 can't currently be optimized by undertaker # naming current conformation keasar-server_TS4 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_2030163266.pdb -s /var/tmp/to_scwrl_2030163266.seq -o /var/tmp/from_scwrl_2030163266.pdb > /var/tmp/scwrl_2030163266.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2030163266.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 # WARNING: incomplete conformation T0306 can't currently be optimized by undertaker # naming current conformation keasar-server_TS5 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_655815062.pdb -s /var/tmp/to_scwrl_655815062.seq -o /var/tmp/from_scwrl_655815062.pdb > /var/tmp/scwrl_655815062.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_655815062.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 T0306 can't currently be optimized by undertaker # naming current conformation mGen-3D_TS1 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_1390920558.pdb -s /var/tmp/to_scwrl_1390920558.seq -o /var/tmp/from_scwrl_1390920558.pdb > /var/tmp/scwrl_1390920558.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1390920558.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 T0306 can't currently be optimized by undertaker # naming current conformation nFOLD_TS1 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_701492104.pdb -s /var/tmp/to_scwrl_701492104.seq -o /var/tmp/from_scwrl_701492104.pdb > /var/tmp/scwrl_701492104.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_701492104.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 T0306 can't currently be optimized by undertaker # naming current conformation nFOLD_TS2 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_817168431.pdb -s /var/tmp/to_scwrl_817168431.seq -o /var/tmp/from_scwrl_817168431.pdb > /var/tmp/scwrl_817168431.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_817168431.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 T0306 can't currently be optimized by undertaker # naming current conformation nFOLD_TS3 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_584501276.pdb -s /var/tmp/to_scwrl_584501276.seq -o /var/tmp/from_scwrl_584501276.pdb > /var/tmp/scwrl_584501276.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_584501276.pdb # conformation set from SCWRL output # naming current conformation nFOLD_TS3-scwrl # ReadConformPDB reading from PDB file servers/nFOLD_TS4.pdb.gz looking for model 1 WARNING: atom 1 has residue number 1 < previous residue 95 in servers/nFOLD_TS4.pdb.gz # WARNING: incomplete conformation T0306 can't currently be optimized by undertaker # naming current conformation nFOLD_TS4 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_43311269.pdb -s /var/tmp/to_scwrl_43311269.seq -o /var/tmp/from_scwrl_43311269.pdb > /var/tmp/scwrl_43311269.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_43311269.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 T0306 can't currently be optimized by undertaker # naming current conformation nFOLD_TS5 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_180024464.pdb -s /var/tmp/to_scwrl_180024464.seq -o /var/tmp/from_scwrl_180024464.pdb > /var/tmp/scwrl_180024464.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_180024464.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 T0306 can't currently be optimized by undertaker # naming current conformation panther2_TS1 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_210647506.pdb -s /var/tmp/to_scwrl_210647506.seq -o /var/tmp/from_scwrl_210647506.pdb > /var/tmp/scwrl_210647506.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_210647506.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 T0306 can't currently be optimized by undertaker # naming current conformation shub_TS1 # request to SCWRL produces command: ulimit -t 86 ; scwrl3 -i /var/tmp/to_scwrl_1142374902.pdb -s /var/tmp/to_scwrl_1142374902.seq -o /var/tmp/from_scwrl_1142374902.pdb > /var/tmp/scwrl_1142374902.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1142374902.pdb # conformation set from SCWRL output # naming current conformation shub_TS1-scwrl # command:CPU_time= 34.5727 sec, elapsed time= 101.3 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 = 333.324 shub_TS1 costs 0 real_cost = 334.21 panther2_TS1-scwrl costs 0 real_cost = 409.937 panther2_TS1 costs 0 real_cost = 407.384 nFOLD_TS5-scwrl costs 0 real_cost = 412.452 nFOLD_TS5 costs 0 real_cost = 439.579 nFOLD_TS4-scwrl costs 0 real_cost = 410.638 nFOLD_TS4 costs 0 real_cost = 416.652 nFOLD_TS3-scwrl costs 0 real_cost = 416.434 nFOLD_TS3 costs 0 real_cost = 438.577 nFOLD_TS2-scwrl costs 0 real_cost = 421.358 nFOLD_TS2 costs 0 real_cost = 450.262 nFOLD_TS1-scwrl costs 0 real_cost = 312.501 nFOLD_TS1 costs 0 real_cost = 340.884 mGen-3D_TS1-scwrl costs 0 real_cost = 330.543 mGen-3D_TS1 costs 0 real_cost = 357.271 keasar-server_TS5-scwrl costs 0 real_cost = 404.521 keasar-server_TS5 costs 0 real_cost = 402.216 keasar-server_TS4-scwrl costs 0 real_cost = 420.905 keasar-server_TS4 costs 0 real_cost = 422.069 keasar-server_TS3-scwrl costs 0 real_cost = 420.69 keasar-server_TS3 costs 0 real_cost = 420.967 keasar-server_TS2-scwrl costs 0 real_cost = 425.77 keasar-server_TS2 costs 0 real_cost = 426.99 keasar-server_TS1-scwrl costs 0 real_cost = 442.505 keasar-server_TS1 costs 0 real_cost = 447.626 karypis.srv_TS5-scwrl costs 0 real_cost = 313.749 karypis.srv_TS5 costs 0 real_cost = 314.264 karypis.srv_TS4-scwrl costs 0 real_cost = 323.672 karypis.srv_TS4 costs 0 real_cost = 325.68 karypis.srv_TS3-scwrl costs 0 real_cost = 329.616 karypis.srv_TS3 costs 0 real_cost = 327.036 karypis.srv_TS2-scwrl costs 0 real_cost = 331.901 karypis.srv_TS2 costs 0 real_cost = 332.869 karypis.srv_TS1-scwrl costs 0 real_cost = 327.917 karypis.srv_TS1 costs 0 real_cost = 327.917 karypis.srv.4_TS5-scwrl costs 0 real_cost = 302.849 karypis.srv.4_TS5 costs 0 real_cost = 302.849 karypis.srv.4_TS4-scwrl costs 0 real_cost = 299.669 karypis.srv.4_TS4 costs 0 real_cost = 299.672 karypis.srv.4_TS3-scwrl costs 0 real_cost = 310.434 karypis.srv.4_TS3 costs 0 real_cost = 310.434 karypis.srv.4_TS2-scwrl costs 0 real_cost = 249.924 karypis.srv.4_TS2 costs 0 real_cost = 249.924 karypis.srv.4_TS1-scwrl costs 0 real_cost = 301.421 karypis.srv.4_TS1 costs 0 real_cost = 301.421 karypis.srv.2_TS5-scwrl costs 0 real_cost = 272.998 karypis.srv.2_TS5 costs 0 real_cost = 272.998 karypis.srv.2_TS4-scwrl costs 0 real_cost = 301.291 karypis.srv.2_TS4 costs 0 real_cost = 301.291 karypis.srv.2_TS3-scwrl costs 0 real_cost = 328.807 karypis.srv.2_TS3 costs 0 real_cost = 328.807 karypis.srv.2_TS2-scwrl costs 0 real_cost = 295.819 karypis.srv.2_TS2 costs 0 real_cost = 295.819 karypis.srv.2_TS1-scwrl costs 0 real_cost = 328.782 karypis.srv.2_TS1 costs 0 real_cost = 328.782 forecast-s_AL5-scwrl costs 0 real_cost = 384.361 forecast-s_AL5 costs 0 real_cost = 426.205 forecast-s_AL4-scwrl costs 0 real_cost = 330.235 forecast-s_AL4 costs 0 real_cost = 384.872 forecast-s_AL3-scwrl costs 0 real_cost = 307.905 forecast-s_AL3 costs 0 real_cost = 350.857 forecast-s_AL2-scwrl costs 0 real_cost = 315.511 forecast-s_AL2 costs 0 real_cost = 361.517 forecast-s_AL1-scwrl costs 0 real_cost = 345.121 forecast-s_AL1 costs 0 real_cost = 370.625 beautshotbase_TS1-scwrl costs 0 real_cost = 309.168 beautshotbase_TS1 costs 0 real_cost = 308.882 beautshot_TS1-scwrl costs 0 real_cost = 292.823 beautshot_TS1 costs 0 real_cost = 292.484 Zhang-Server_TS5-scwrl costs 0 real_cost = 295.024 Zhang-Server_TS5 costs 0 real_cost = 306.745 Zhang-Server_TS4-scwrl costs 0 real_cost = 243.383 Zhang-Server_TS4 costs 0 real_cost = 240.175 Zhang-Server_TS3-scwrl costs 0 real_cost = 219.052 Zhang-Server_TS3 costs 0 real_cost = 227.44 Zhang-Server_TS2-scwrl costs 0 real_cost = 249.379 Zhang-Server_TS2 costs 0 real_cost = 256.334 Zhang-Server_TS1-scwrl costs 0 real_cost = 317.669 Zhang-Server_TS1 costs 0 real_cost = 317.772 UNI-EID_sfst_AL5-scwrl costs 0 real_cost = 371.17 UNI-EID_sfst_AL5 costs 0 real_cost = 383.143 UNI-EID_sfst_AL4-scwrl costs 0 real_cost = 378.751 UNI-EID_sfst_AL4 costs 0 real_cost = 383.733 UNI-EID_sfst_AL3-scwrl costs 0 real_cost = 392.51 UNI-EID_sfst_AL3 costs 0 real_cost = 394.127 UNI-EID_sfst_AL2-scwrl costs 0 real_cost = 400.091 UNI-EID_sfst_AL2 costs 0 real_cost = 402.871 UNI-EID_sfst_AL1-scwrl costs 0 real_cost = 409.976 UNI-EID_sfst_AL1 costs 0 real_cost = 404.781 UNI-EID_expm_TS1-scwrl costs 0 real_cost = 297.434 UNI-EID_expm_TS1 costs 0 real_cost = 322.711 UNI-EID_bnmx_TS5-scwrl costs 0 real_cost = 291.362 UNI-EID_bnmx_TS5 costs 0 real_cost = 323.401 UNI-EID_bnmx_TS4-scwrl costs 0 real_cost = 299.303 UNI-EID_bnmx_TS4 costs 0 real_cost = 330.874 UNI-EID_bnmx_TS3-scwrl costs 0 real_cost = 311.369 UNI-EID_bnmx_TS3 costs 0 real_cost = 337.295 UNI-EID_bnmx_TS2-scwrl costs 0 real_cost = 284.051 UNI-EID_bnmx_TS2 costs 0 real_cost = 318.093 UNI-EID_bnmx_TS1-scwrl costs 0 real_cost = 305.613 UNI-EID_bnmx_TS1 costs 0 real_cost = 334.657 SPARKS2_TS5-scwrl costs 0 real_cost = 294.708 SPARKS2_TS5 costs 0 real_cost = 295.509 SPARKS2_TS4-scwrl costs 0 real_cost = 317.46 SPARKS2_TS4 costs 0 real_cost = 321.097 SPARKS2_TS3-scwrl costs 0 real_cost = 297.832 SPARKS2_TS3 costs 0 real_cost = 294.494 SPARKS2_TS2-scwrl costs 0 real_cost = 303.265 SPARKS2_TS2 costs 0 real_cost = 304.419 SPARKS2_TS1-scwrl costs 0 real_cost = 321.48 SPARKS2_TS1 costs 0 real_cost = 321.476 SP4_TS5-scwrl costs 0 real_cost = 311.71 SP4_TS5 costs 0 real_cost = 311.805 SP4_TS4-scwrl costs 0 real_cost = 277.579 SP4_TS4 costs 0 real_cost = 280.463 SP4_TS3-scwrl costs 0 real_cost = 318.319 SP4_TS3 costs 0 real_cost = 318.458 SP4_TS2-scwrl costs 0 real_cost = 308.541 SP4_TS2 costs 0 real_cost = 310.928 SP4_TS1-scwrl costs 0 real_cost = 314.639 SP4_TS1 costs 0 real_cost = 319.015 SP3_TS5-scwrl costs 0 real_cost = 320.764 SP3_TS5 costs 0 real_cost = 320.596 SP3_TS4-scwrl costs 0 real_cost = 331.814 SP3_TS4 costs 0 real_cost = 331.911 SP3_TS3-scwrl costs 0 real_cost = 294.708 SP3_TS3 costs 0 real_cost = 295.509 SP3_TS2-scwrl costs 0 real_cost = 294.559 SP3_TS2 costs 0 real_cost = 295.032 SP3_TS1-scwrl costs 0 real_cost = 316.735 SP3_TS1 costs 0 real_cost = 319.95 SAM_T06_server_TS5-scwrl costs 0 real_cost = 401.635 SAM_T06_server_TS5 costs 0 real_cost = 383.154 SAM_T06_server_TS4-scwrl costs 0 real_cost = 331.681 SAM_T06_server_TS4 costs 0 real_cost = 331.945 SAM_T06_server_TS3-scwrl costs 0 real_cost = 334.716 SAM_T06_server_TS3 costs 0 real_cost = 335.443 SAM_T06_server_TS2-scwrl costs 0 real_cost = 308.284 SAM_T06_server_TS2 costs 0 real_cost = 309.492 SAM_T06_server_TS1-scwrl costs 0 real_cost = 293.054 SAM_T06_server_TS1 costs 0 real_cost = 293.602 SAM-T02_AL5-scwrl costs 0 real_cost = 345.905 SAM-T02_AL5 costs 0 real_cost = 419.931 SAM-T02_AL4-scwrl costs 0 real_cost = 343.356 SAM-T02_AL4 costs 0 real_cost = 389.488 SAM-T02_AL3-scwrl costs 0 real_cost = 330.522 SAM-T02_AL3 costs 0 real_cost = 352.278 SAM-T02_AL2-scwrl costs 0 real_cost = 317.374 SAM-T02_AL2 costs 0 real_cost = 348.11 SAM-T02_AL1-scwrl costs 0 real_cost = 332.448 SAM-T02_AL1 costs 0 real_cost = 379.316 ROKKY_TS5-scwrl costs 0 real_cost = 313.301 ROKKY_TS5 costs 0 real_cost = 374.67 ROKKY_TS4-scwrl costs 0 real_cost = 321.862 ROKKY_TS4 costs 0 real_cost = 380.368 ROKKY_TS3-scwrl costs 0 real_cost = 306.786 ROKKY_TS3 costs 0 real_cost = 362.257 ROKKY_TS2-scwrl costs 0 real_cost = 276.583 ROKKY_TS2 costs 0 real_cost = 336.347 ROKKY_TS1-scwrl costs 0 real_cost = 295.707 ROKKY_TS1 costs 0 real_cost = 355.152 ROBETTA_TS5-scwrl costs 0 real_cost = 268.245 ROBETTA_TS5 costs 0 real_cost = 270.012 ROBETTA_TS4-scwrl costs 0 real_cost = 205.019 ROBETTA_TS4 costs 0 real_cost = 222.397 ROBETTA_TS3-scwrl costs 0 real_cost = 270.525 ROBETTA_TS3 costs 0 real_cost = 272.052 ROBETTA_TS2-scwrl costs 0 real_cost = 234.968 ROBETTA_TS2 costs 0 real_cost = 235.51 ROBETTA_TS1-scwrl costs 0 real_cost = 277.416 ROBETTA_TS1 costs 0 real_cost = 280.996 RAPTOR_TS5-scwrl costs 0 real_cost = 191.06 RAPTOR_TS5 costs 0 real_cost = 195.177 RAPTOR_TS4-scwrl costs 0 real_cost = 267.698 RAPTOR_TS4 costs 0 real_cost = 267.314 RAPTOR_TS3-scwrl costs 0 real_cost = 318.93 RAPTOR_TS3 costs 0 real_cost = 319.11 RAPTOR_TS2-scwrl costs 0 real_cost = 185.99 RAPTOR_TS2 costs 0 real_cost = 191.288 RAPTOR_TS1-scwrl costs 0 real_cost = 333.723 RAPTOR_TS1 costs 0 real_cost = 332.042 RAPTORESS_TS5-scwrl costs 0 real_cost = 164.835 RAPTORESS_TS5 costs 0 real_cost = 171.348 RAPTORESS_TS4-scwrl costs 0 real_cost = 260.602 RAPTORESS_TS4 costs 0 real_cost = 260.049 RAPTORESS_TS3-scwrl costs 0 real_cost = 317.681 RAPTORESS_TS3 costs 0 real_cost = 317.598 RAPTORESS_TS2-scwrl costs 0 real_cost = 193.803 RAPTORESS_TS2 costs 0 real_cost = 202.386 RAPTORESS_TS1-scwrl costs 0 real_cost = 330.445 RAPTORESS_TS1 costs 0 real_cost = 331.239 RAPTOR-ACE_TS5-scwrl costs 0 real_cost = 303.57 RAPTOR-ACE_TS5 costs 0 real_cost = 308.377 RAPTOR-ACE_TS4-scwrl costs 0 real_cost = 331.422 RAPTOR-ACE_TS4 costs 0 real_cost = 331.481 RAPTOR-ACE_TS3-scwrl costs 0 real_cost = 323.602 RAPTOR-ACE_TS3 costs 0 real_cost = 326.179 RAPTOR-ACE_TS2-scwrl costs 0 real_cost = 320.764 RAPTOR-ACE_TS2 costs 0 real_cost = 320.596 RAPTOR-ACE_TS1-scwrl costs 0 real_cost = 294.708 RAPTOR-ACE_TS1 costs 0 real_cost = 295.509 Pmodeller6_TS5-scwrl costs 0 real_cost = 356.128 Pmodeller6_TS5 costs 0 real_cost = 353.082 Pmodeller6_TS4-scwrl costs 0 real_cost = 356.128 Pmodeller6_TS4 costs 0 real_cost = 353.082 Pmodeller6_TS3-scwrl costs 0 real_cost = 350.251 Pmodeller6_TS3 costs 0 real_cost = 347.449 Pmodeller6_TS2-scwrl costs 0 real_cost = 350.251 Pmodeller6_TS2 costs 0 real_cost = 347.449 Pmodeller6_TS1-scwrl costs 0 real_cost = 229.695 Pmodeller6_TS1 costs 0 real_cost = 216.511 Phyre-2_TS5-scwrl costs 0 real_cost = 317.826 Phyre-2_TS5 costs 0 real_cost = 315.546 Phyre-2_TS4-scwrl costs 0 real_cost = 339.074 Phyre-2_TS4 costs 0 real_cost = 336.819 Phyre-2_TS3-scwrl costs 0 real_cost = 350.169 Phyre-2_TS3 costs 0 real_cost = 350.209 Phyre-2_TS2-scwrl costs 0 real_cost = 323.515 Phyre-2_TS2 costs 0 real_cost = 323.327 Phyre-2_TS1-scwrl costs 0 real_cost = 323.409 Phyre-2_TS1 costs 0 real_cost = 323.341 Phyre-1_TS1-scwrl costs 0 real_cost = 382.089 Phyre-1_TS1 costs 0 real_cost = 378.189 Pcons6_TS5-scwrl costs 0 real_cost = 314.498 Pcons6_TS5 costs 0 real_cost = 310.912 Pcons6_TS4-scwrl costs 0 real_cost = 314.498 Pcons6_TS4 costs 0 real_cost = 310.912 Pcons6_TS3-scwrl costs 0 real_cost = 315.119 Pcons6_TS3 costs 0 real_cost = 312.866 Pcons6_TS2-scwrl costs 0 real_cost = 329.15 Pcons6_TS2 costs 0 real_cost = 326.385 Pcons6_TS1-scwrl costs 0 real_cost = 325.548 Pcons6_TS1 costs 0 real_cost = 323.441 PROTINFO_TS5-scwrl costs 0 real_cost = 355.881 PROTINFO_TS5 costs 0 real_cost = 350.643 PROTINFO_TS4-scwrl costs 0 real_cost = 357.594 PROTINFO_TS4 costs 0 real_cost = 352.795 PROTINFO_TS3-scwrl costs 0 real_cost = 337.52 PROTINFO_TS3 costs 0 real_cost = 342.375 PROTINFO_TS2-scwrl costs 0 real_cost = 306.152 PROTINFO_TS2 costs 0 real_cost = 307.66 PROTINFO_TS1-scwrl costs 0 real_cost = 280.384 PROTINFO_TS1 costs 0 real_cost = 275.474 PROTINFO-AB_TS4-scwrl costs 0 real_cost = 189.092 PROTINFO-AB_TS4 costs 0 real_cost = 190.311 PROTINFO-AB_TS3-scwrl costs 0 real_cost = 317.964 PROTINFO-AB_TS3 costs 0 real_cost = 318.187 PROTINFO-AB_TS2-scwrl costs 0 real_cost = 168.96 PROTINFO-AB_TS2 costs 0 real_cost = 170.706 PROTINFO-AB_TS1-scwrl costs 0 real_cost = 326.986 PROTINFO-AB_TS1 costs 0 real_cost = 326.806 POMYSL_TS5-scwrl costs 0 real_cost = 368.143 POMYSL_TS5 costs 0 real_cost = 368.105 POMYSL_TS2-scwrl costs 0 real_cost = 335.254 POMYSL_TS2 costs 0 real_cost = 349.36 NN_PUT_lab_TS1-scwrl costs 0 real_cost = 312.501 NN_PUT_lab_TS1 costs 0 real_cost = 340.884 MetaTasser_TS5-scwrl costs 0 real_cost = 280.587 MetaTasser_TS5 costs 0 real_cost = 281.004 MetaTasser_TS4-scwrl costs 0 real_cost = 310.219 MetaTasser_TS4 costs 0 real_cost = 309.882 MetaTasser_TS3-scwrl costs 0 real_cost = 271.698 MetaTasser_TS3 costs 0 real_cost = 286.986 MetaTasser_TS2-scwrl costs 0 real_cost = 274.879 MetaTasser_TS2 costs 0 real_cost = 266.211 MetaTasser_TS1-scwrl costs 0 real_cost = 278.083 MetaTasser_TS1 costs 0 real_cost = 278.046 Ma-OPUS-server_TS5-scwrl costs 0 real_cost = 328.76 Ma-OPUS-server_TS5 costs 0 real_cost = 328.727 Ma-OPUS-server_TS4-scwrl costs 0 real_cost = 313.694 Ma-OPUS-server_TS4 costs 0 real_cost = 313.582 Ma-OPUS-server_TS3-scwrl costs 0 real_cost = 313.692 Ma-OPUS-server_TS3 costs 0 real_cost = 313.864 Ma-OPUS-server_TS2-scwrl costs 0 real_cost = 312.194 Ma-OPUS-server_TS2 costs 0 real_cost = 314.828 Ma-OPUS-server_TS1-scwrl costs 0 real_cost = 319.321 Ma-OPUS-server_TS1 costs 0 real_cost = 319.528 MIG_FROST_FLEX_AL1-scwrl costs 0 real_cost = 398.602 MIG_FROST_FLEX_AL1 costs 0 real_cost = 398.602 MIG_FROST_AL1-scwrl costs 0 real_cost = 341.297 MIG_FROST_AL1 costs 0 real_cost = 366.801 LOOPP_TS5-scwrl costs 0 real_cost = 335.465 LOOPP_TS5 costs 0 real_cost = 332.649 LOOPP_TS4-scwrl costs 0 real_cost = 310.838 LOOPP_TS4 costs 0 real_cost = 311.066 LOOPP_TS3-scwrl costs 0 real_cost = 325.394 LOOPP_TS3 costs 0 real_cost = 329.927 LOOPP_TS2-scwrl costs 0 real_cost = 339.543 LOOPP_TS2 costs 0 real_cost = 334.824 LOOPP_TS1-scwrl costs 0 real_cost = 341.577 LOOPP_TS1 costs 0 real_cost = 332.16 Huber-Torda-Server_TS5-scwrl costs 0 real_cost = 354.093 Huber-Torda-Server_TS5 costs 0 real_cost = 377.764 Huber-Torda-Server_TS4-scwrl costs 0 real_cost = 414.039 Huber-Torda-Server_TS4 costs 0 real_cost = 411.341 Huber-Torda-Server_TS3-scwrl costs 0 real_cost = 316.558 Huber-Torda-Server_TS3 costs 0 real_cost = 339.617 Huber-Torda-Server_TS2-scwrl costs 0 real_cost = 358.511 Huber-Torda-Server_TS2 costs 0 real_cost = 382.402 Huber-Torda-Server_TS1-scwrl costs 0 real_cost = 316.494 Huber-Torda-Server_TS1 costs 0 real_cost = 341.665 HHpred3_TS1-scwrl costs 0 real_cost = 301.009 HHpred3_TS1 costs 0 real_cost = 301.244 HHpred2_TS1-scwrl costs 0 real_cost = 294.386 HHpred2_TS1 costs 0 real_cost = 294.14 HHpred1_TS1-scwrl costs 0 real_cost = 294.386 HHpred1_TS1 costs 0 real_cost = 294.14 GeneSilicoMetaServer_TS5-scwrl costs 0 real_cost = 324.565 GeneSilicoMetaServer_TS5 costs 0 real_cost = 324.41 GeneSilicoMetaServer_TS4-scwrl costs 0 real_cost = 307.606 GeneSilicoMetaServer_TS4 costs 0 real_cost = 316.269 GeneSilicoMetaServer_TS3-scwrl costs 0 real_cost = 312.849 GeneSilicoMetaServer_TS3 costs 0 real_cost = 312.878 GeneSilicoMetaServer_TS2-scwrl costs 0 real_cost = 327.595 GeneSilicoMetaServer_TS2 costs 0 real_cost = 327.52 GeneSilicoMetaServer_TS1-scwrl costs 0 real_cost = 320.838 GeneSilicoMetaServer_TS1 costs 0 real_cost = 320.333 FUNCTION_TS5-scwrl costs 0 real_cost = 326.25 FUNCTION_TS5 costs 0 real_cost = 328.037 FUNCTION_TS4-scwrl costs 0 real_cost = 304.968 FUNCTION_TS4 costs 0 real_cost = 305.401 FUNCTION_TS3-scwrl costs 0 real_cost = 330.194 FUNCTION_TS3 costs 0 real_cost = 330.418 FUNCTION_TS2-scwrl costs 0 real_cost = 281.685 FUNCTION_TS2 costs 0 real_cost = 282.107 FUNCTION_TS1-scwrl costs 0 real_cost = 290.087 FUNCTION_TS1 costs 0 real_cost = 288.945 FUGUE_AL5-scwrl costs 0 real_cost = 402.179 FUGUE_AL5 costs 0 real_cost = 443.126 FUGUE_AL4-scwrl costs 0 real_cost = 422.521 FUGUE_AL4 costs 0 real_cost = 439.866 FUGUE_AL3-scwrl costs 0 real_cost = 365.969 FUGUE_AL3 costs 0 real_cost = 407.293 FUGUE_AL2-scwrl costs 0 real_cost = 420.802 FUGUE_AL2 costs 0 real_cost = 443.849 FUGUE_AL1-scwrl costs 0 real_cost = 367.806 FUGUE_AL1 costs 0 real_cost = 367.806 FUGMOD_TS5-scwrl costs 0 real_cost = 309.594 FUGMOD_TS5 costs 0 real_cost = 314.04 FUGMOD_TS4-scwrl costs 0 real_cost = 415.869 FUGMOD_TS4 costs 0 real_cost = 414.187 FUGMOD_TS3-scwrl costs 0 real_cost = 311.758 FUGMOD_TS3 costs 0 real_cost = 305.406 FUGMOD_TS2-scwrl costs 0 real_cost = 415.505 FUGMOD_TS2 costs 0 real_cost = 406.641 FUGMOD_TS1-scwrl costs 0 real_cost = 298.768 FUGMOD_TS1 costs 0 real_cost = 298.845 FORTE2_AL5-scwrl costs 0 real_cost = 373.532 FORTE2_AL5 costs 0 real_cost = 373.532 FORTE2_AL4-scwrl costs 0 real_cost = 316.854 FORTE2_AL4 costs 0 real_cost = 367.88 FORTE2_AL3-scwrl costs 0 real_cost = 344.679 FORTE2_AL3 costs 0 real_cost = 386.542 FORTE2_AL2-scwrl costs 0 real_cost = 349.1 FORTE2_AL2 costs 0 real_cost = 400.692 FORTE2_AL1-scwrl costs 0 real_cost = 305.316 FORTE2_AL1 costs 0 real_cost = 348.457 FORTE1_AL5-scwrl costs 0 real_cost = 316.854 FORTE1_AL5 costs 0 real_cost = 367.88 FORTE1_AL4-scwrl costs 0 real_cost = 344.679 FORTE1_AL4 costs 0 real_cost = 386.542 FORTE1_AL3-scwrl costs 0 real_cost = 349.1 FORTE1_AL3 costs 0 real_cost = 400.692 FORTE1_AL2-scwrl costs 0 real_cost = 305.316 FORTE1_AL2 costs 0 real_cost = 348.457 FORTE1_AL1-scwrl costs 0 real_cost = 387.995 FORTE1_AL1 costs 0 real_cost = 387.995 FOLDpro_TS5-scwrl costs 0 real_cost = 326.441 FOLDpro_TS5 costs 0 real_cost = 326.479 FOLDpro_TS4-scwrl costs 0 real_cost = 296.334 FOLDpro_TS4 costs 0 real_cost = 292.907 FOLDpro_TS3-scwrl costs 0 real_cost = 307.401 FOLDpro_TS3 costs 0 real_cost = 305.031 FOLDpro_TS2-scwrl costs 0 real_cost = 319.268 FOLDpro_TS2 costs 0 real_cost = 320.726 FOLDpro_TS1-scwrl costs 0 real_cost = 332.864 FOLDpro_TS1 costs 0 real_cost = 332.592 FAMS_TS5-scwrl costs 0 real_cost = 281.685 FAMS_TS5 costs 0 real_cost = 282.107 FAMS_TS4-scwrl costs 0 real_cost = 320.011 FAMS_TS4 costs 0 real_cost = 319.955 FAMS_TS3-scwrl costs 0 real_cost = 315.562 FAMS_TS3 costs 0 real_cost = 320.054 FAMS_TS2-scwrl costs 0 real_cost = 322.835 FAMS_TS2 costs 0 real_cost = 322.762 FAMS_TS1-scwrl costs 0 real_cost = 305.169 FAMS_TS1 costs 0 real_cost = 307.211 FAMSD_TS5-scwrl costs 0 real_cost = 239.988 FAMSD_TS5 costs 0 real_cost = 237.68 FAMSD_TS4-scwrl costs 0 real_cost = 309.878 FAMSD_TS4 costs 0 real_cost = 311.993 FAMSD_TS3-scwrl costs 0 real_cost = 277.71 FAMSD_TS3 costs 0 real_cost = 277.48 FAMSD_TS2-scwrl costs 0 real_cost = 327.126 FAMSD_TS2 costs 0 real_cost = 327 FAMSD_TS1-scwrl costs 0 real_cost = 289.374 FAMSD_TS1 costs 0 real_cost = 291.391 Distill_TS5-scwrl costs 0 real_cost = 315.109 Distill_TS4-scwrl costs 0 real_cost = 304.461 Distill_TS3-scwrl costs 0 real_cost = 316.544 Distill_TS2-scwrl costs 0 real_cost = 319.826 Distill_TS1-scwrl costs 0 real_cost = 308.977 CaspIta-FOX_TS5-scwrl costs 0 real_cost = 322.477 CaspIta-FOX_TS5 costs 0 real_cost = 318.536 CaspIta-FOX_TS4-scwrl costs 0 real_cost = 315.703 CaspIta-FOX_TS4 costs 0 real_cost = 315.823 CaspIta-FOX_TS3-scwrl costs 0 real_cost = 374.975 CaspIta-FOX_TS3 costs 0 real_cost = 372.028 CaspIta-FOX_TS2-scwrl costs 0 real_cost = 355.745 CaspIta-FOX_TS2 costs 0 real_cost = 355.601 CaspIta-FOX_TS1-scwrl costs 0 real_cost = 330.025 CaspIta-FOX_TS1 costs 0 real_cost = 329.968 CIRCLE_TS5-scwrl costs 0 real_cost = 305.981 CIRCLE_TS5 costs 0 real_cost = 306.302 CIRCLE_TS4-scwrl costs 0 real_cost = 322.835 CIRCLE_TS4 costs 0 real_cost = 322.762 CIRCLE_TS3-scwrl costs 0 real_cost = 302.553 CIRCLE_TS3 costs 0 real_cost = 304.866 CIRCLE_TS2-scwrl costs 0 real_cost = 315.562 CIRCLE_TS2 costs 0 real_cost = 320.054 CIRCLE_TS1-scwrl costs 0 real_cost = 320.011 CIRCLE_TS1 costs 0 real_cost = 319.955 Bilab-ENABLE_TS5-scwrl costs 0 real_cost = 303.268 Bilab-ENABLE_TS5 costs 0 real_cost = 303.28 Bilab-ENABLE_TS4-scwrl costs 0 real_cost = 303.695 Bilab-ENABLE_TS4 costs 0 real_cost = 303.803 Bilab-ENABLE_TS3-scwrl costs 0 real_cost = 290.757 Bilab-ENABLE_TS3 costs 0 real_cost = 290.258 Bilab-ENABLE_TS2-scwrl costs 0 real_cost = 319.915 Bilab-ENABLE_TS2 costs 0 real_cost = 319.922 Bilab-ENABLE_TS1-scwrl costs 0 real_cost = 270.376 Bilab-ENABLE_TS1 costs 0 real_cost = 270.955 BayesHH_TS1-scwrl costs 0 real_cost = 299.034 BayesHH_TS1 costs 0 real_cost = 299.471 ABIpro_TS5-scwrl costs 0 real_cost = 292.888 ABIpro_TS5 costs 0 real_cost = 292.86 ABIpro_TS4-scwrl costs 0 real_cost = 275.485 ABIpro_TS4 costs 0 real_cost = 275.496 ABIpro_TS3-scwrl costs 0 real_cost = 265.846 ABIpro_TS3 costs 0 real_cost = 265.846 ABIpro_TS2-scwrl costs 0 real_cost = 234.051 ABIpro_TS2 costs 0 real_cost = 234.051 ABIpro_TS1-scwrl costs 0 real_cost = 266.417 ABIpro_TS1 costs 0 real_cost = 266.417 3Dpro_TS5-scwrl costs 0 real_cost = 334.783 3Dpro_TS5 costs 0 real_cost = 334.752 3Dpro_TS4-scwrl costs 0 real_cost = 266.417 3Dpro_TS4 costs 0 real_cost = 266.417 3Dpro_TS3-scwrl costs 0 real_cost = 340.036 3Dpro_TS3 costs 0 real_cost = 339.975 3Dpro_TS2-scwrl costs 0 real_cost = 332.864 3Dpro_TS2 costs 0 real_cost = 332.592 3Dpro_TS1-scwrl costs 0 real_cost = 280.216 3Dpro_TS1 costs 0 real_cost = 281.939 3D-JIGSAW_TS5-scwrl costs 0 real_cost = 285.057 3D-JIGSAW_TS5 costs 0 real_cost = 293.086 3D-JIGSAW_TS4-scwrl costs 0 real_cost = 306.158 3D-JIGSAW_TS4 costs 0 real_cost = 297.507 3D-JIGSAW_TS3-scwrl costs 0 real_cost = 357.508 3D-JIGSAW_TS3 costs 0 real_cost = 348.083 3D-JIGSAW_TS2-scwrl costs 0 real_cost = 289.208 3D-JIGSAW_TS2 costs 0 real_cost = 289.1 3D-JIGSAW_TS1-scwrl costs 0 real_cost = 308.412 3D-JIGSAW_TS1 costs 0 real_cost = 310.982 3D-JIGSAW_RECOM_TS5-scwrl costs 0 real_cost = 350.057 3D-JIGSAW_RECOM_TS5 costs 0 real_cost = 348.598 3D-JIGSAW_RECOM_TS4-scwrl costs 0 real_cost = 337.913 3D-JIGSAW_RECOM_TS4 costs 0 real_cost = 337.72 3D-JIGSAW_RECOM_TS3-scwrl costs 0 real_cost = 285.013 3D-JIGSAW_RECOM_TS3 costs 0 real_cost = 293.036 3D-JIGSAW_RECOM_TS2-scwrl costs 0 real_cost = 284.992 3D-JIGSAW_RECOM_TS2 costs 0 real_cost = 293.145 3D-JIGSAW_RECOM_TS1-scwrl costs 0 real_cost = 338.182 3D-JIGSAW_RECOM_TS1 costs 0 real_cost = 338.118 3D-JIGSAW_POPULUS_TS5-scwrl costs 0 real_cost = 332.294 3D-JIGSAW_POPULUS_TS5 costs 0 real_cost = 331.327 3D-JIGSAW_POPULUS_TS4-scwrl costs 0 real_cost = 327.868 3D-JIGSAW_POPULUS_TS4 costs 0 real_cost = 326.184 3D-JIGSAW_POPULUS_TS3-scwrl costs 0 real_cost = 340.906 3D-JIGSAW_POPULUS_TS3 costs 0 real_cost = 340.906 3D-JIGSAW_POPULUS_TS2-scwrl costs 0 real_cost = 325.056 3D-JIGSAW_POPULUS_TS2 costs 0 real_cost = 325.056 3D-JIGSAW_POPULUS_TS1-scwrl costs 0 real_cost = 325.532 3D-JIGSAW_POPULUS_TS1 costs 0 real_cost = 324.306 6mer//try6-opt2.unpack costs 0 real_cost = 271.368 6mer//try6-opt2.unpack.gromacs0.repack-nonPC costs 0 real_cost = 268.515 6mer//try6-opt2.unpack.gromacs0 costs 0 real_cost = 268.904 6mer//try6-opt2.repack-nonPC costs 0 real_cost = 270.875 6mer//try6-opt2 costs 0 real_cost = 271.368 6mer//try6-opt2.gromacs0.repack-nonPC costs 0 real_cost = 262.892 6mer//try6-opt2.gromacs0 costs 0 real_cost = 263.168 6mer//try6-opt1 costs 0 real_cost = 269.538 6mer//try6-opt1-scwrl costs 0 real_cost = 269.745 6mer//try5-opt2_6mer_renumber costs 0 real_cost = 268.677 6mer//try5-opt2.unpack costs 0 real_cost = 268.841 6mer//try5-opt2.unpack.gromacs0.repack-nonPC costs 0 real_cost = 271.957 6mer//try5-opt2.unpack.gromacs0 costs 0 real_cost = 271.987 6mer//try5-opt2.repack-nonPC costs 0 real_cost = 269.229 6mer//try5-opt2 costs 0 real_cost = 268.841 6mer//try5-opt2.gromacs0.repack-nonPC costs 0 real_cost = 270.863 6mer//try5-opt2.gromacs0 costs 0 real_cost = 271.13 6mer//try5-opt1 costs 0 real_cost = 268.704 6mer//try5-opt1-scwrl costs 0 real_cost = 268.432 6mer//try4-opt2.unpack costs 0 real_cost = 268.894 6mer//try4-opt2.unpack.gromacs0.repack-nonPC costs 0 real_cost = 269.172 6mer//try4-opt2.unpack.gromacs0 costs 0 real_cost = 269.647 6mer//try4-opt2.repack-nonPC costs 0 real_cost = 269.008 6mer//try4-opt2 costs 0 real_cost = 268.894 6mer//try4-opt2.gromacs0 costs 0 real_cost = 272.903 6mer//try4-opt1 costs 0 real_cost = 268.98 6mer//try4-opt1-scwrl costs 0 real_cost = 268.57 6mer//try3-opt2_6mer_renumber costs 0 real_cost = 269.633 6mer//try3-opt2.unpack costs 0 real_cost = 269.651 6mer//try3-opt2.unpack.gromacs0.repack-nonPC costs 0 real_cost = 268.229 6mer//try3-opt2.unpack.gromacs0 costs 0 real_cost = 268.097 6mer//try3-opt2.repack-nonPC costs 0 real_cost = 269.172 6mer//try3-opt2 costs 0 real_cost = 269.651 6mer//try3-opt2.gromacs0 costs 0 real_cost = 268.547 6mer//try3-opt1 costs 0 real_cost = 269.673 6mer//try3-opt1-scwrl costs 0 real_cost = 269.895 6mer//try18-opt2_6mer_renumber costs 0 real_cost = 269.409 6mer//try1-opt2.unpack costs 0 real_cost = 267.921 6mer//try1-opt2.unpack.gromacs0.repack-nonPC costs 0 real_cost = 269.008 6mer//try1-opt2.unpack.gromacs0 costs 0 real_cost = 268.981 6mer//try1-opt2.repack-nonPC costs 0 real_cost = 267.005 6mer//try1-opt2 costs 0 real_cost = 267.921 6mer//try1-opt2.gromacs0 costs 0 real_cost = 268.722 6mer//try1-opt1 costs 0 real_cost = 269.041 6mer//try1-opt1-scwrl costs 0 real_cost = 269.359 6mer//model4_6mer_renumber costs 0 real_cost = 322.638 6mer//6mer-2a10 costs 0 real_cost = 269.352 T0306.try9-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 324.131 T0306.try9-opt2.pdb.gz costs 0 real_cost = 324.022 T0306.try9-opt2.gromacs0.pdb.gz costs 0 real_cost = 324.81 T0306.try9-opt1.pdb.gz costs 0 real_cost = 323.989 T0306.try9-opt1-scwrl.pdb.gz costs 0 real_cost = 323.789 T0306.try8-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 322.227 T0306.try8-opt2.pdb.gz costs 0 real_cost = 322.401 T0306.try8-opt2.gromacs0.pdb.gz costs 0 real_cost = 311.492 T0306.try8-opt1.pdb.gz costs 0 real_cost = 321.533 T0306.try8-opt1-scwrl.pdb.gz costs 0 real_cost = 321.588 T0306.try7-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 321.439 T0306.try7-opt2.pdb.gz costs 0 real_cost = 321.553 T0306.try7-opt2.gromacs0.pdb.gz costs 0 real_cost = 314.332 T0306.try7-opt1.pdb.gz costs 0 real_cost = 317.121 T0306.try7-opt1-scwrl.pdb.gz costs 0 real_cost = 317.317 T0306.try6-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 280.06 T0306.try6-opt2.pdb.gz costs 0 real_cost = 281.756 T0306.try6-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = 280.54 T0306.try6-opt2.gromacs0.pdb.gz costs 0 real_cost = 279.929 T0306.try6-opt1.pdb.gz costs 0 real_cost = 279.538 T0306.try6-opt1-scwrl.pdb.gz costs 0 real_cost = 279.475 T0306.try5-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 281.706 T0306.try5-opt2.pdb.gz costs 0 real_cost = 282.054 T0306.try5-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = 279.855 T0306.try5-opt2.gromacs0.pdb.gz costs 0 real_cost = 281.177 T0306.try5-opt1.pdb.gz costs 0 real_cost = 283.056 T0306.try5-opt1-scwrl.pdb.gz costs 0 real_cost = 282.576 T0306.try4-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 266.479 T0306.try4-opt2.pdb.gz costs 0 real_cost = 267.189 T0306.try4-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = 269.642 T0306.try4-opt2.gromacs0.pdb.gz costs 0 real_cost = 270.505 T0306.try4-opt1.pdb.gz costs 0 real_cost = 269.258 T0306.try4-opt1-scwrl.pdb.gz costs 0 real_cost = 269.17 T0306.try3-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 291.361 T0306.try3-opt2.pdb.gz costs 0 real_cost = 291.151 T0306.try3-opt2.gromacs0.pdb.gz costs 0 real_cost = 292.389 T0306.try3-opt1.pdb.gz costs 0 real_cost = 292.242 T0306.try3-opt1-scwrl.pdb.gz costs 0 real_cost = 291.427 T0306.try27-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 292.469 T0306.try27-opt2.pdb.gz costs 0 real_cost = 294.44 T0306.try27-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = 296.372 T0306.try27-opt2.gromacs0.pdb.gz costs 0 real_cost = 296.45 T0306.try27-opt1.pdb.gz costs 0 real_cost = 294.301 T0306.try27-opt1-scwrl.pdb.gz costs 0 real_cost = 294.22 T0306.try26-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 321.489 T0306.try26-opt2.pdb.gz costs 0 real_cost = 321.53 T0306.try26-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = 320.862 T0306.try26-opt2.gromacs0.pdb.gz costs 0 real_cost = 320.909 T0306.try26-opt1.pdb.gz costs 0 real_cost = 321.196 T0306.try26-opt1-scwrl.pdb.gz costs 0 real_cost = 321.219 T0306.try25-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 289.49 T0306.try25-opt2.pdb.gz costs 0 real_cost = 284.918 T0306.try25-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = 287.233 T0306.try25-opt2.gromacs0.pdb.gz costs 0 real_cost = 285.497 T0306.try25-opt1.pdb.gz costs 0 real_cost = 286.847 T0306.try25-opt1-scwrl.pdb.gz costs 0 real_cost = 285.539 T0306.try24-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 306.09 T0306.try24-opt2.pdb.gz costs 0 real_cost = 300.481 T0306.try24-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = 297.514 T0306.try24-opt2.gromacs0.pdb.gz costs 0 real_cost = 297.781 T0306.try24-opt1.pdb.gz costs 0 real_cost = 299.673 T0306.try24-opt1-scwrl.pdb.gz costs 0 real_cost = 300.939 T0306.try23-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 323.406 T0306.try23-opt2.pdb.gz costs 0 real_cost = 323.328 T0306.try23-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = 322.789 T0306.try23-opt2.gromacs0.pdb.gz costs 0 real_cost = 322.561 T0306.try23-opt1.pdb.gz costs 0 real_cost = 321.73 T0306.try23-opt1-scwrl.pdb.gz costs 0 real_cost = 321.533 T0306.try22-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 309.614 T0306.try22-opt2.pdb.gz costs 0 real_cost = 313.058 T0306.try22-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = 316.963 T0306.try22-opt2.gromacs0.pdb.gz costs 0 real_cost = 317.261 T0306.try22-opt1.pdb.gz costs 0 real_cost = 312.434 T0306.try22-opt1-scwrl.pdb.gz costs 0 real_cost = 310.451 T0306.try21-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 314.587 T0306.try21-opt2.pdb.gz costs 0 real_cost = 314.27 T0306.try21-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = 307.108 T0306.try21-opt2.gromacs0.pdb.gz costs 0 real_cost = 305.789 T0306.try21-opt1.pdb.gz costs 0 real_cost = 309.593 T0306.try21-opt1-scwrl.pdb.gz costs 0 real_cost = 311.28 T0306.try20-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 270.423 T0306.try20-opt2.pdb.gz costs 0 real_cost = 270.676 T0306.try20-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = 269.624 T0306.try20-opt2.gromacs0.pdb.gz costs 0 real_cost = 270.337 T0306.try20-opt1.pdb.gz costs 0 real_cost = 270.27 T0306.try20-opt1-scwrl.pdb.gz costs 0 real_cost = 269.599 T0306.try2-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 267.965 T0306.try2-opt2.pdb.gz costs 0 real_cost = 267.778 T0306.try2-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = 267.254 T0306.try2-opt2.gromacs0.pdb.gz costs 0 real_cost = 267.269 T0306.try2-opt1.pdb.gz costs 0 real_cost = 267.598 T0306.try2-opt1-scwrl.pdb.gz costs 0 real_cost = 269.124 T0306.try19-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 321.781 T0306.try19-opt2.pdb.gz costs 0 real_cost = 319.927 T0306.try19-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = 322.319 T0306.try19-opt2.gromacs0.pdb.gz costs 0 real_cost = 322.301 T0306.try19-opt1.pdb.gz costs 0 real_cost = 320.436 T0306.try19-opt1-scwrl.pdb.gz costs 0 real_cost = 322.063 T0306.try18-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 269.007 T0306.try18-opt2.pdb.gz costs 0 real_cost = 269.361 T0306.try18-opt2.gromacs0.pdb.gz costs 0 real_cost = 270.746 T0306.try18-opt1.pdb.gz costs 0 real_cost = 270.849 T0306.try18-opt1-scwrl.pdb.gz costs 0 real_cost = 270.586 T0306.try17-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 320.919 T0306.try17-opt2.pdb.gz costs 0 real_cost = 319.218 T0306.try17-opt2.gromacs0.pdb.gz costs 0 real_cost = 321.69 T0306.try17-opt1.pdb.gz costs 0 real_cost = 321.793 T0306.try17-opt1-scwrl.pdb.gz costs 0 real_cost = 321.742 T0306.try16-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 320.577 T0306.try16-opt2.pdb.gz costs 0 real_cost = 322.048 T0306.try16-opt2.gromacs0.pdb.gz costs 0 real_cost = 322.058 T0306.try16-opt1.pdb.gz costs 0 real_cost = 322.618 T0306.try16-opt1-scwrl.pdb.gz costs 0 real_cost = 322.489 T0306.try15-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 315.428 T0306.try15-opt2.pdb.gz costs 0 real_cost = 315.674 T0306.try15-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = 315.58 T0306.try15-opt2.gromacs0.pdb.gz costs 0 real_cost = 315.713 T0306.try15-opt1.pdb.gz costs 0 real_cost = 316.43 T0306.try15-opt1-scwrl.pdb.gz costs 0 real_cost = 316.205 T0306.try14-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 315.965 T0306.try14-opt2.pdb.gz costs 0 real_cost = 316.195 T0306.try14-opt2.gromacs0.pdb.gz costs 0 real_cost = 316.892 T0306.try14-opt1.pdb.gz costs 0 real_cost = 314.972 T0306.try14-opt1-scwrl.pdb.gz costs 0 real_cost = 316.701 T0306.try13-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 324.595 T0306.try13-opt2.pdb.gz costs 0 real_cost = 324.728 T0306.try13-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = 326.549 T0306.try13-opt2.gromacs0.pdb.gz costs 0 real_cost = 326.711 T0306.try13-opt1.pdb.gz costs 0 real_cost = 324.627 T0306.try13-opt1-scwrl.pdb.gz costs 0 real_cost = 326.284 T0306.try12-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 326.004 T0306.try12-opt2.pdb.gz costs 0 real_cost = 324.48 T0306.try12-opt2.gromacs0.pdb.gz costs 0 real_cost = 327.205 T0306.try12-opt1.pdb.gz costs 0 real_cost = 327.883 T0306.try12-opt1-scwrl.pdb.gz costs 0 real_cost = 327.686 T0306.try11-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 327.568 T0306.try11-opt2.pdb.gz costs 0 real_cost = 327.63 T0306.try11-opt2.gromacs0.pdb.gz costs 0 real_cost = 327.278 T0306.try11-opt1.pdb.gz costs 0 real_cost = 326.487 T0306.try11-opt1-scwrl.pdb.gz costs 0 real_cost = 326.487 T0306.try10-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 322.584 T0306.try10-opt2.pdb.gz costs 0 real_cost = 322.609 T0306.try10-opt2.gromacs0.pdb.gz costs 0 real_cost = 325.217 T0306.try10-opt1.pdb.gz costs 0 real_cost = 322.294 T0306.try10-opt1-scwrl.pdb.gz costs 0 real_cost = 319.926 T0306.try1-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 330.635 T0306.try1-opt2.pdb.gz costs 0 real_cost = 330.667 T0306.try1-opt2.gromacs0.pdb.gz costs 0 real_cost = 333.767 T0306.try1-opt1.pdb.gz costs 0 real_cost = 332.216 T0306.try1-opt1-scwrl.pdb.gz costs 0 real_cost = 333.892 ../model5.ts-submitted costs 0 real_cost = 321.354 ../model4.ts-submitted costs 0 real_cost = 294.451 ../model3.ts-submitted costs 0 real_cost = 323.272 ../model2.ts-submitted costs 0 real_cost = 324.723 ../model1.ts-submitted costs 0 real_cost = 270.721 align5 costs 0 real_cost = 358.791 align4 costs 0 real_cost = 333.297 align3 costs 0 real_cost = 349.836 align2 costs 0 real_cost = 331.429 align1 costs 0 real_cost = 309.753 T0306.try1-opt2.pdb costs 0 real_cost = 330.975 model5-scwrl costs 0 real_cost = 321.276 model5.ts-submitted costs 0 real_cost = 321.354 model4-scwrl costs 0 real_cost = 293.94 model4.ts-submitted costs 0 real_cost = 294.451 model3-scwrl costs 0 real_cost = 323.121 model3.ts-submitted costs 0 real_cost = 323.272 model2-scwrl costs 0 real_cost = 326.332 model2.ts-submitted costs 0 real_cost = 324.723 model1-scwrl costs 0 real_cost = 270.494 model1.ts-submitted costs 0 real_cost = 270.72 2hd3A costs 0 real_cost = -895 # command:CPU_time= 188.016 sec, elapsed time= 254.86 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