/projects/compbio/experiments/protein-predict/casp7/starter-directory/Make.main:725: SECONDARY_TARGET = T0379.t06.str2 rm -f decoys/evaluate_2.rdb sed -e s/XXX0000/T0379/ -e s/START_COL/1/ \ -e s/REAL_PDB/2i6xA/ \ -e s/_domain/_2/ \ -e s/read-pdb/read-pdb+servers/ \ -e 's/ReadConformPDBids/# ReadConformPDBids/' \ -e 's/# ReadConformPDB /ReadConformPDB /' \ -e 's/include COSTFCN.costfcn//' \ -e s/.COSTFCN// \ < /projects/compbio/experiments/protein-predict/casp7/starter-directory/evaluate.under \ | nice -2 /projects/compbio/programs/undertaker/undertaker # command:# Seed set to 1170079085 # 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= 17.0974 sec, elapsed time= 17.3966 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= 17.3304 sec, elapsed time= 17.7432 sec) # command:# Prefix for input files set to # command:# Making conformation for sequence T0379 numbered 1 through 208 Created new target T0379 from T0379.a2m # command:# command:# No conformations to remove in PopConform # command:# cleared Id set # command:# command:# ReadConformPDB reading from PDB file T0379_2.real.pdb looking for model 1 Skipped atom 162, because occupancy 5.0000000e-01 <= existing 0.500 in T0379_2.real.pdb Skipped atom 164, because occupancy 0.500 <= existing 0.500 in T0379_2.real.pdb Skipped atom 166, because occupancy 0.500 <= existing 0.500 in T0379_2.real.pdb Skipped atom 168, because occupancy 0.500 <= existing 0.500 in T0379_2.real.pdb Skipped atom 170, because occupancy 0.500 <= existing 0.500 in T0379_2.real.pdb Skipped atom 172, because occupancy 0.500 <= existing 0.500 in T0379_2.real.pdb Skipped atom 174, because occupancy 0.500 <= existing 0.500 in T0379_2.real.pdb Skipped atom 176, because occupancy 0.500 <= existing 0.500 in T0379_2.real.pdb Skipped atom 178, because occupancy 0.500 <= existing 0.500 in T0379_2.real.pdb Skipped atom 203, because occupancy 0.500 <= existing 0.500 in T0379_2.real.pdb Skipped atom 205, because occupancy 0.500 <= existing 0.500 in T0379_2.real.pdb Skipped atom 207, because occupancy 0.500 <= existing 0.500 in T0379_2.real.pdb Skipped atom 209, because occupancy 0.500 <= existing 0.500 in T0379_2.real.pdb Skipped atom 211, because occupancy 0.500 <= existing 0.500 in T0379_2.real.pdb Skipped atom 213, because occupancy 0.500 <= existing 0.500 in T0379_2.real.pdb Skipped atom 215, because occupancy 0.500 <= existing 0.500 in T0379_2.real.pdb Skipped atom 217, because occupancy 0.500 <= existing 0.500 in T0379_2.real.pdb Skipped atom 219, because occupancy 0.500 <= existing 0.500 in T0379_2.real.pdb Skipped atom 221, because occupancy 0.500 <= existing 0.500 in T0379_2.real.pdb Skipped atom 223, because occupancy 0.500 <= existing 0.500 in T0379_2.real.pdb Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 319, because occupancy 0.500 <= existing 0.500 in T0379_2.real.pdb Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 321, because occupancy 0.500 <= existing 0.500 in T0379_2.real.pdb Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 323, because occupancy 0.500 <= existing 0.500 in T0379_2.real.pdb Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 325, because occupancy 0.500 <= existing 0.500 in T0379_2.real.pdb Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 327, because occupancy 0.500 <= existing 0.500 in T0379_2.real.pdb Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 329, because occupancy 0.500 <= existing 0.500 in T0379_2.real.pdb Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 331, because occupancy 0.500 <= existing 0.500 in T0379_2.real.pdb Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 333, because occupancy 0.500 <= existing 0.500 in T0379_2.real.pdb Skipped atom 583, because occupancy 0.500 <= existing 0.500 in T0379_2.real.pdb Skipped atom 587, because occupancy 0.500 <= existing 0.500 in T0379_2.real.pdb Skipped atom 589, because occupancy 0.500 <= existing 0.500 in T0379_2.real.pdb Skipped atom 591, because occupancy 0.500 <= existing 0.500 in T0379_2.real.pdb Skipped atom 593, because occupancy 0.500 <= existing 0.500 in T0379_2.real.pdb Skipped atom 595, because occupancy 0.500 <= existing 0.500 in T0379_2.real.pdb # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # command:# Saving current conformation as real # command:# Prefix for output files set to decoys/ # command:# SetRealCost created real_cost = # ( 50 * real_hbond + 50 * real_hbond_u + 50 * decoy_hbond + 50 * decoy_hbond_u + 10 * real_NO_hbond + 10 * real_NO_hbond_u + 10 * decoy_NO_hbond + 10 * decoy_NO_hbond_u + 10 * knot + 200 * clens + 0 * rmsd + 35 * log_rmsd + 0 * rmsd_ca + 30 * log_rmsd_ca + 1 * GDT + 1 * smooth_GDT + 0.2 * missing_atoms ) # command:# SetCost created cost = # ) # command:CPU_time= 23.7424 sec, elapsed time= 24.1763 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 192 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -66.4062 # GDT_score(maxd=8,maxw=2.9)= -67.507 # GDT_score(maxd=8,maxw=3.2)= -64.5851 # GDT_score(maxd=8,maxw=3.5)= -61.6119 # GDT_score(maxd=10,maxw=3.8)= -65.0178 # GDT_score(maxd=10,maxw=4)= -63.0788 # GDT_score(maxd=10,maxw=4.2)= -61.2375 # GDT_score(maxd=12,maxw=4.3)= -65.01 # GDT_score(maxd=12,maxw=4.5)= -63.1927 # GDT_score(maxd=12,maxw=4.7)= -61.4879 # GDT_score(maxd=14,maxw=5.2)= -60.8484 # GDT_score(maxd=14,maxw=5.5)= -58.4018 # command:# request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_2074416851.pdb -s /var/tmp/to_scwrl_2074416851.seq -o /var/tmp/from_scwrl_2074416851.pdb > /var/tmp/scwrl_2074416851.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2074416851.pdb # conformation set from SCWRL output # command:# naming current conformation model1-scwrl # command:# Prefix for output files set to # command:superimposing iter= 0 total_weight= 784.000 rmsd (weighted)= 4.363 (unweighted)= 54.135 superimposing iter= 1 total_weight= 1691.456 rmsd (weighted)= 2.283 (unweighted)= 53.786 superimposing iter= 2 total_weight= 847.926 rmsd (weighted)= 1.758 (unweighted)= 53.743 superimposing iter= 3 total_weight= 653.258 rmsd (weighted)= 1.556 (unweighted)= 53.802 superimposing iter= 4 total_weight= 588.564 rmsd (weighted)= 1.459 (unweighted)= 53.851 superimposing iter= 5 total_weight= 549.301 rmsd (weighted)= 1.418 (unweighted)= 53.879 # command:# Prefix for output files set to decoys/ # command:# ReadConformPDB reading from PDB file model2.ts-submitted looking for model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -66.7969 # GDT_score(maxd=8,maxw=2.9)= -67.4789 # GDT_score(maxd=8,maxw=3.2)= -64.4813 # GDT_score(maxd=8,maxw=3.5)= -61.5233 # GDT_score(maxd=10,maxw=3.8)= -64.9044 # GDT_score(maxd=10,maxw=4)= -62.9585 # GDT_score(maxd=10,maxw=4.2)= -61.0985 # GDT_score(maxd=12,maxw=4.3)= -64.898 # GDT_score(maxd=12,maxw=4.5)= -63.063 # GDT_score(maxd=12,maxw=4.7)= -61.282 # GDT_score(maxd=14,maxw=5.2)= -60.7196 # GDT_score(maxd=14,maxw=5.5)= -58.3038 # command:# request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1513027698.pdb -s /var/tmp/to_scwrl_1513027698.seq -o /var/tmp/from_scwrl_1513027698.pdb > /var/tmp/scwrl_1513027698.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1513027698.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 189 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -65.625 # GDT_score(maxd=8,maxw=2.9)= -66.3837 # GDT_score(maxd=8,maxw=3.2)= -63.456 # GDT_score(maxd=8,maxw=3.5)= -60.4122 # GDT_score(maxd=10,maxw=3.8)= -63.8791 # GDT_score(maxd=10,maxw=4)= -61.9961 # GDT_score(maxd=10,maxw=4.2)= -60.176 # GDT_score(maxd=12,maxw=4.3)= -64.0028 # GDT_score(maxd=12,maxw=4.5)= -62.202 # GDT_score(maxd=12,maxw=4.7)= -60.468 # GDT_score(maxd=14,maxw=5.2)= -60.0001 # GDT_score(maxd=14,maxw=5.5)= -57.6737 # command:# request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1626116132.pdb -s /var/tmp/to_scwrl_1626116132.seq -o /var/tmp/from_scwrl_1626116132.pdb > /var/tmp/scwrl_1626116132.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1626116132.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 194 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -33.2031 # GDT_score(maxd=8,maxw=2.9)= -30.328 # GDT_score(maxd=8,maxw=3.2)= -29.3891 # GDT_score(maxd=8,maxw=3.5)= -28.6111 # GDT_score(maxd=10,maxw=3.8)= -32.3736 # GDT_score(maxd=10,maxw=4)= -31.7706 # GDT_score(maxd=10,maxw=4.2)= -31.225 # GDT_score(maxd=12,maxw=4.3)= -35.2091 # GDT_score(maxd=12,maxw=4.5)= -34.547 # GDT_score(maxd=12,maxw=4.7)= -33.9191 # GDT_score(maxd=14,maxw=5.2)= -35.6934 # GDT_score(maxd=14,maxw=5.5)= -34.4385 # command:# request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_832479905.pdb -s /var/tmp/to_scwrl_832479905.seq -o /var/tmp/from_scwrl_832479905.pdb > /var/tmp/scwrl_832479905.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_832479905.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 197 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -36.7188 # GDT_score(maxd=8,maxw=2.9)= -31.6587 # GDT_score(maxd=8,maxw=3.2)= -30.4485 # GDT_score(maxd=8,maxw=3.5)= -29.4458 # GDT_score(maxd=10,maxw=3.8)= -34.0896 # GDT_score(maxd=10,maxw=4)= -33.2776 # GDT_score(maxd=10,maxw=4.2)= -32.4672 # GDT_score(maxd=12,maxw=4.3)= -36.9419 # GDT_score(maxd=12,maxw=4.5)= -36.0098 # GDT_score(maxd=12,maxw=4.7)= -35.1423 # GDT_score(maxd=14,maxw=5.2)= -36.7481 # GDT_score(maxd=14,maxw=5.5)= -35.3873 # command:# request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_473525169.pdb -s /var/tmp/to_scwrl_473525169.seq -o /var/tmp/from_scwrl_473525169.pdb > /var/tmp/scwrl_473525169.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_473525169.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 T0379.try1-opt2.pdb looking for model 1 # Found a chain break before 193 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -67.9688 # GDT_score(maxd=8,maxw=2.9)= -68.1441 # GDT_score(maxd=8,maxw=3.2)= -65.1157 # GDT_score(maxd=8,maxw=3.5)= -62.0435 # GDT_score(maxd=10,maxw=3.8)= -65.4204 # GDT_score(maxd=10,maxw=4)= -63.4677 # GDT_score(maxd=10,maxw=4.2)= -61.6159 # GDT_score(maxd=12,maxw=4.3)= -65.3717 # GDT_score(maxd=12,maxw=4.5)= -63.5459 # GDT_score(maxd=12,maxw=4.7)= -61.8036 # GDT_score(maxd=14,maxw=5.2)= -61.17 # GDT_score(maxd=14,maxw=5.5)= -58.6692 # command:# Prefix for output files set to # command:superimposing iter= 0 total_weight= 784.000 rmsd (weighted)= 4.457 (unweighted)= 54.718 superimposing iter= 1 total_weight= 1743.197 rmsd (weighted)= 2.302 (unweighted)= 54.442 superimposing iter= 2 total_weight= 812.794 rmsd (weighted)= 1.810 (unweighted)= 54.421 superimposing iter= 3 total_weight= 627.884 rmsd (weighted)= 1.635 (unweighted)= 54.466 superimposing iter= 4 total_weight= 573.649 rmsd (weighted)= 1.553 (unweighted)= 54.512 superimposing iter= 5 total_weight= 554.166 rmsd (weighted)= 1.504 (unweighted)= 54.552 # command:# Prefix for output files set to decoys/ # command:# Prefix for input files set to # command:# ReadConformPDB reading from PDB file T0379.undertaker-align.pdb looking for model 1 WARNING: atoms too close: (T0379)F59.C and (T0379)R60.C only 0.000 apart, marking (T0379)R60.C as missing WARNING: atoms too close: (T0379)R60.N and (T0379)T61.N only 0.000 apart, marking (T0379)R60.N as missing WARNING: atoms too close: (T0379)R60.CA and (T0379)T61.CA only 0.000 apart, marking (T0379)R60.CA as missing WARNING: atoms too close: (T0379)S64.C and (T0379)R65.C only 0.000 apart, marking (T0379)R65.C as missing WARNING: atoms too close: (T0379)R65.N and (T0379)Y66.N only 0.000 apart, marking (T0379)R65.N as missing WARNING: atoms too close: (T0379)R65.CA and (T0379)Y66.CA only 0.000 apart, marking (T0379)R65.CA as missing WARNING: atoms too close: (T0379)R99.C and (T0379)D101.C only 0.000 apart, marking (T0379)D101.C as missing WARNING: atoms too close: (T0379)P100.N and (T0379)Y102.N only 0.000 apart, marking (T0379)P100.N as missing WARNING: atoms too close: (T0379)P100.CA and (T0379)Y102.CA only 0.000 apart, marking (T0379)P100.CA as missing WARNING: atoms too close: (T0379)F123.C and (T0379)T129.C only 0.000 apart, marking (T0379)T129.C as missing WARNING: atoms too close: (T0379)L124.N and (T0379)L130.N only 0.000 apart, marking (T0379)L124.N as missing WARNING: atoms too close: (T0379)L124.CA and (T0379)L130.CA only 0.000 apart, marking (T0379)L124.CA as missing # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # command:# naming current conformation align1 # command:# fraction of real conformation used = 0.96875 # GDT_score = -35.1562 # GDT_score(maxd=8,maxw=2.9)= -29.6738 # GDT_score(maxd=8,maxw=3.2)= -28.6497 # GDT_score(maxd=8,maxw=3.5)= -27.7759 # GDT_score(maxd=10,maxw=3.8)= -32.2864 # GDT_score(maxd=10,maxw=4)= -31.5314 # GDT_score(maxd=10,maxw=4.2)= -30.7794 # GDT_score(maxd=12,maxw=4.3)= -35.1275 # GDT_score(maxd=12,maxw=4.5)= -34.2607 # GDT_score(maxd=12,maxw=4.7)= -33.4677 # GDT_score(maxd=14,maxw=5.2)= -35.1896 # GDT_score(maxd=14,maxw=5.5)= -34.0372 # command:# ReadConformPDB reading from PDB file T0379.undertaker-align.pdb looking for model 2 WARNING: atoms too close: (T0379)I14.C and (T0379)H15.C only 0.000 apart, marking (T0379)H15.C as missing WARNING: atoms too close: (T0379)H15.N and (T0379)L16.N only 0.000 apart, marking (T0379)H15.N as missing WARNING: atoms too close: (T0379)H15.CA and (T0379)L16.CA only 0.000 apart, marking (T0379)H15.CA as missing WARNING: atoms too close: (T0379)G44.C and (T0379)D48.C only 0.000 apart, marking (T0379)D48.C as missing WARNING: atoms too close: (T0379)L45.N and (T0379)L49.N only 0.000 apart, marking (T0379)L45.N as missing WARNING: atoms too close: (T0379)L45.CA and (T0379)L49.CA only 0.000 apart, marking (T0379)L45.CA as missing WARNING: atoms too close: (T0379)F123.C and (T0379)T129.C only 0.000 apart, marking (T0379)T129.C as missing WARNING: atoms too close: (T0379)L124.N and (T0379)L130.N only 0.000 apart, marking (T0379)L124.N as missing WARNING: atoms too close: (T0379)L124.CA and (T0379)L130.CA only 0.000 apart, marking (T0379)L124.CA as missing # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # command:# naming current conformation align2 # command:# fraction of real conformation used = 0.9375 # GDT_score = -36.7188 # GDT_score(maxd=8,maxw=2.9)= -32.0389 # GDT_score(maxd=8,maxw=3.2)= -30.9395 # GDT_score(maxd=8,maxw=3.5)= -29.9154 # GDT_score(maxd=10,maxw=3.8)= -34.282 # GDT_score(maxd=10,maxw=4)= -33.5054 # GDT_score(maxd=10,maxw=4.2)= -32.8028 # GDT_score(maxd=12,maxw=4.3)= -36.875 # GDT_score(maxd=12,maxw=4.5)= -36.0694 # GDT_score(maxd=12,maxw=4.7)= -35.2903 # GDT_score(maxd=14,maxw=5.2)= -36.6396 # GDT_score(maxd=14,maxw=5.5)= -35.4081 # command:# ReadConformPDB reading from PDB file T0379.undertaker-align.pdb looking for model 3 WARNING: atoms too close: (T0379)Q75.C and (T0379)V76.C only 0.000 apart, marking (T0379)V76.C as missing WARNING: atoms too close: (T0379)V76.N and (T0379)Y77.N only 0.000 apart, marking (T0379)V76.N as missing WARNING: atoms too close: (T0379)V76.CA and (T0379)Y77.CA only 0.000 apart, marking (T0379)V76.CA as missing WARNING: atoms too close: (T0379)F123.C and (T0379)T129.C only 0.000 apart, marking (T0379)T129.C as missing WARNING: atoms too close: (T0379)L124.N and (T0379)L130.N only 0.000 apart, marking (T0379)L124.N as missing WARNING: atoms too close: (T0379)L124.CA and (T0379)L130.CA only 0.000 apart, marking (T0379)L124.CA as missing # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # command:# naming current conformation align3 # command:# ReadConformPDB reading from PDB file T0379.undertaker-align.pdb looking for model 4 WARNING: atoms too close: (T0379)F123.C and (T0379)T129.C only 0.000 apart, marking (T0379)T129.C as missing WARNING: atoms too close: (T0379)L124.N and (T0379)L130.N only 0.000 apart, marking (T0379)L124.N as missing WARNING: atoms too close: (T0379)L124.CA and (T0379)L130.CA only 0.000 apart, marking (T0379)L124.CA as missing # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # command:# naming current conformation align4 # command:# ReadConformPDB reading from PDB file T0379.undertaker-align.pdb looking for model 5 WARNING: atoms too close: (T0379)F123.C and (T0379)T129.C only 0.000 apart, marking (T0379)T129.C as missing WARNING: atoms too close: (T0379)L124.N and (T0379)L130.N only 0.000 apart, marking (T0379)L124.N as missing WARNING: atoms too close: (T0379)L124.CA and (T0379)L130.CA only 0.000 apart, marking (T0379)L124.CA as missing # WARNING: incomplete conformation T0379 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 192 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model2.ts-submitted looking for model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model3.ts-submitted looking for model 1 # Found a chain break before 189 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model4.ts-submitted looking for model 1 # Found a chain break before 194 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model5.ts-submitted looking for model 1 # Found a chain break before 197 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try1-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 193 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try1-opt1.pdb.gz looking for model 1 # Found a chain break before 193 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try1-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 197 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try1-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 197 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try1-opt2.pdb.gz looking for model 1 # Found a chain break before 193 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try1-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 193 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try10-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 172 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try10-opt1.pdb.gz looking for model 1 # Found a chain break before 172 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try10-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 194 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try10-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 194 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try10-opt2.pdb.gz looking for model 1 # Found a chain break before 193 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try10-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 193 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try11-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try11-opt1.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try11-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 194 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try11-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 194 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try11-opt2.pdb.gz looking for model 1 # Found a chain break before 196 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try11-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 196 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try12-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try12-opt1.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try12-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 194 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try12-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 194 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try12-opt2.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try12-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try13-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 189 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try13-opt1.pdb.gz looking for model 1 # Found a chain break before 189 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try13-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 207 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try13-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 207 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try13-opt2.pdb.gz looking for model 1 # Found a chain break before 189 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try13-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 189 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try14-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 189 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try14-opt1.pdb.gz looking for model 1 # Found a chain break before 189 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try14-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 207 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try14-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 207 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try14-opt2.pdb.gz looking for model 1 # Found a chain break before 189 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try14-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 189 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try15-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 194 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try15-opt1.pdb.gz looking for model 1 # Found a chain break before 194 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try15-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 189 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try15-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 189 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try15-opt2.pdb.gz looking for model 1 # Found a chain break before 194 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try15-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 194 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try16-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 148 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try16-opt1.pdb.gz looking for model 1 # Found a chain break before 148 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try16-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 194 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try16-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 194 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try16-opt2.pdb.gz looking for model 1 # Found a chain break before 148 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try16-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 148 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try17-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 194 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try17-opt1.pdb.gz looking for model 1 # Found a chain break before 194 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try17-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 189 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try17-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 189 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try17-opt2.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try17-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try18-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 194 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try18-opt1.pdb.gz looking for model 1 # Found a chain break before 194 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try18-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 189 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try18-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 189 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try18-opt2.pdb.gz looking for model 1 # Found a chain break before 194 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try18-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 194 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try19-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 197 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try19-opt1.pdb.gz looking for model 1 # Found a chain break before 197 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try19-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 193 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try19-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 193 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try19-opt2.pdb.gz looking for model 1 # Found a chain break before 197 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try19-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 197 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try2-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try2-opt1.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try2-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 197 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try2-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 197 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try2-opt2.pdb.gz looking for model 1 # Found a chain break before 194 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try2-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 194 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try20-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try20-opt1.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try20-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 189 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try20-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 189 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try20-opt2.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try20-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try21-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try21-opt1.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try21-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 189 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try21-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 189 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try21-opt2.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try21-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try22-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try22-opt1.pdb.gz looking for model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try22-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 188 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try22-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 188 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try22-opt2.pdb.gz looking for model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try22-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try23-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try23-opt1.pdb.gz looking for model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try23-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 193 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try23-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 193 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try23-opt2.pdb.gz looking for model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try23-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try24-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try24-opt1.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try24-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 189 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try24-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 189 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try24-opt2.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try24-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try25-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 196 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try25-opt1.pdb.gz looking for model 1 # Found a chain break before 196 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try25-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 184 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try25-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 184 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try25-opt2.pdb.gz looking for model 1 # Found a chain break before 196 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try25-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 196 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try26-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try26-opt1.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try26-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 194 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try26-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 194 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try26-opt2.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try26-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try27-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try27-opt1.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try27-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 194 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try27-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 194 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try27-opt2.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try27-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try28-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try28-opt1.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try28-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 189 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try28-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 189 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try28-opt2.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try28-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try29-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 197 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try29-opt1.pdb.gz looking for model 1 # Found a chain break before 197 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try29-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 193 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try29-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 193 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try29-opt2.pdb.gz looking for model 1 # Found a chain break before 197 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try29-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 197 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try3-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try3-opt1.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try3-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 194 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try3-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 194 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try3-opt2.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try3-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try4-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 196 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try4-opt1.pdb.gz looking for model 1 # Found a chain break before 196 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try4-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 189 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try4-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 189 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try4-opt2.pdb.gz looking for model 1 # Found a chain break before 196 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try4-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 196 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try5-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try5-opt1.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try5-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 202 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try5-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 202 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try5-opt2.pdb.gz looking for model 1 # Found a chain break before 201 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try5-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 201 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try6-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 204 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try6-opt1.pdb.gz looking for model 1 # Found a chain break before 204 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try6-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 180 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try6-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 180 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try6-opt2.pdb.gz looking for model 1 # Found a chain break before 204 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try6-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 204 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try7-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 194 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try7-opt1.pdb.gz looking for model 1 # Found a chain break before 194 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try7-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 189 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try7-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 189 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try7-opt2.pdb.gz looking for model 1 # Found a chain break before 194 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try7-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 194 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try8-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 194 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try8-opt1.pdb.gz looking for model 1 # Found a chain break before 194 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try8-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 189 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try8-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 189 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try8-opt2.pdb.gz looking for model 1 # Found a chain break before 194 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try8-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 194 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try9-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 194 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try9-opt1.pdb.gz looking for model 1 # Found a chain break before 194 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try9-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 194 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try9-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 194 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try9-opt2.pdb.gz looking for model 1 # Found a chain break before 194 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try9-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 194 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_91773710.pdb -s /var/tmp/to_scwrl_91773710.seq -o /var/tmp/from_scwrl_91773710.pdb > /var/tmp/scwrl_91773710.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_91773710.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_POPULUS_TS1-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1322731162.pdb -s /var/tmp/to_scwrl_1322731162.seq -o /var/tmp/from_scwrl_1322731162.pdb > /var/tmp/scwrl_1322731162.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1322731162.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_POPULUS_TS2-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1893251804.pdb -s /var/tmp/to_scwrl_1893251804.seq -o /var/tmp/from_scwrl_1893251804.pdb > /var/tmp/scwrl_1893251804.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1893251804.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 T0379 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_852490597.pdb -s /var/tmp/to_scwrl_852490597.seq -o /var/tmp/from_scwrl_852490597.pdb > /var/tmp/scwrl_852490597.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_852490597.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 T0379 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_646344040.pdb -s /var/tmp/to_scwrl_646344040.seq -o /var/tmp/from_scwrl_646344040.pdb > /var/tmp/scwrl_646344040.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_646344040.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_POPULUS_TS5-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1560253901.pdb -s /var/tmp/to_scwrl_1560253901.seq -o /var/tmp/from_scwrl_1560253901.pdb > /var/tmp/scwrl_1560253901.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1560253901.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 T0379 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_257887162.pdb -s /var/tmp/to_scwrl_257887162.seq -o /var/tmp/from_scwrl_257887162.pdb > /var/tmp/scwrl_257887162.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_257887162.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 T0379 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_712109938.pdb -s /var/tmp/to_scwrl_712109938.seq -o /var/tmp/from_scwrl_712109938.pdb > /var/tmp/scwrl_712109938.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_712109938.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_RECOM_TS3-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1837787075.pdb -s /var/tmp/to_scwrl_1837787075.seq -o /var/tmp/from_scwrl_1837787075.pdb > /var/tmp/scwrl_1837787075.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1837787075.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 T0379 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_572063524.pdb -s /var/tmp/to_scwrl_572063524.seq -o /var/tmp/from_scwrl_572063524.pdb > /var/tmp/scwrl_572063524.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_572063524.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 T0379 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_660282014.pdb -s /var/tmp/to_scwrl_660282014.seq -o /var/tmp/from_scwrl_660282014.pdb > /var/tmp/scwrl_660282014.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_660282014.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_TS1-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_973188666.pdb -s /var/tmp/to_scwrl_973188666.seq -o /var/tmp/from_scwrl_973188666.pdb > /var/tmp/scwrl_973188666.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_973188666.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 T0379 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1318964091.pdb -s /var/tmp/to_scwrl_1318964091.seq -o /var/tmp/from_scwrl_1318964091.pdb > /var/tmp/scwrl_1318964091.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1318964091.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 T0379 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1214314596.pdb -s /var/tmp/to_scwrl_1214314596.seq -o /var/tmp/from_scwrl_1214314596.pdb > /var/tmp/scwrl_1214314596.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1214314596.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 T0379 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_717452564.pdb -s /var/tmp/to_scwrl_717452564.seq -o /var/tmp/from_scwrl_717452564.pdb > /var/tmp/scwrl_717452564.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_717452564.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 197 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1983300705.pdb -s /var/tmp/to_scwrl_1983300705.seq -o /var/tmp/from_scwrl_1983300705.pdb > /var/tmp/scwrl_1983300705.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1983300705.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 197 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1333082108.pdb -s /var/tmp/to_scwrl_1333082108.seq -o /var/tmp/from_scwrl_1333082108.pdb > /var/tmp/scwrl_1333082108.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1333082108.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 197 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_385426646.pdb -s /var/tmp/to_scwrl_385426646.seq -o /var/tmp/from_scwrl_385426646.pdb > /var/tmp/scwrl_385426646.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_385426646.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 197 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_106332571.pdb -s /var/tmp/to_scwrl_106332571.seq -o /var/tmp/from_scwrl_106332571.pdb > /var/tmp/scwrl_106332571.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_106332571.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 197 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_957401490.pdb -s /var/tmp/to_scwrl_957401490.seq -o /var/tmp/from_scwrl_957401490.pdb > /var/tmp/scwrl_957401490.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_957401490.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 166 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_657245508.pdb -s /var/tmp/to_scwrl_657245508.seq -o /var/tmp/from_scwrl_657245508.pdb > /var/tmp/scwrl_657245508.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_657245508.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 205 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_402783659.pdb -s /var/tmp/to_scwrl_402783659.seq -o /var/tmp/from_scwrl_402783659.pdb > /var/tmp/scwrl_402783659.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_402783659.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 200 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_391827869.pdb -s /var/tmp/to_scwrl_391827869.seq -o /var/tmp/from_scwrl_391827869.pdb > /var/tmp/scwrl_391827869.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_391827869.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 199 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_322583822.pdb -s /var/tmp/to_scwrl_322583822.seq -o /var/tmp/from_scwrl_322583822.pdb > /var/tmp/scwrl_322583822.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_322583822.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 168 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_356833869.pdb -s /var/tmp/to_scwrl_356833869.seq -o /var/tmp/from_scwrl_356833869.pdb > /var/tmp/scwrl_356833869.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_356833869.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 166 # copying to AlignedFragments data structure # naming current conformation BayesHH_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1343523229.pdb -s /var/tmp/to_scwrl_1343523229.seq -o /var/tmp/from_scwrl_1343523229.pdb > /var/tmp/scwrl_1343523229.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1343523229.pdb # conformation set from SCWRL output # naming current conformation BayesHH_TS1-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS1.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_249517026.pdb -s /var/tmp/to_scwrl_249517026.seq -o /var/tmp/from_scwrl_249517026.pdb > /var/tmp/scwrl_249517026.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_249517026.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 200 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1869861567.pdb -s /var/tmp/to_scwrl_1869861567.seq -o /var/tmp/from_scwrl_1869861567.pdb > /var/tmp/scwrl_1869861567.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1869861567.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 166 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_822155715.pdb -s /var/tmp/to_scwrl_822155715.seq -o /var/tmp/from_scwrl_822155715.pdb > /var/tmp/scwrl_822155715.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_822155715.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 186 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1081996930.pdb -s /var/tmp/to_scwrl_1081996930.seq -o /var/tmp/from_scwrl_1081996930.pdb > /var/tmp/scwrl_1081996930.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1081996930.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 186 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_195903089.pdb -s /var/tmp/to_scwrl_195903089.seq -o /var/tmp/from_scwrl_195903089.pdb > /var/tmp/scwrl_195903089.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_195903089.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 205 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_913929425.pdb -s /var/tmp/to_scwrl_913929425.seq -o /var/tmp/from_scwrl_913929425.pdb > /var/tmp/scwrl_913929425.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_913929425.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS1-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS2.pdb.gz looking for model 1 # Found a chain break before 207 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_257244446.pdb -s /var/tmp/to_scwrl_257244446.seq -o /var/tmp/from_scwrl_257244446.pdb > /var/tmp/scwrl_257244446.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_257244446.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS2-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS3.pdb.gz looking for model 1 # Found a chain break before 207 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_2089154893.pdb -s /var/tmp/to_scwrl_2089154893.seq -o /var/tmp/from_scwrl_2089154893.pdb > /var/tmp/scwrl_2089154893.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2089154893.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS3-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1766420021.pdb -s /var/tmp/to_scwrl_1766420021.seq -o /var/tmp/from_scwrl_1766420021.pdb > /var/tmp/scwrl_1766420021.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1766420021.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 203 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_903588487.pdb -s /var/tmp/to_scwrl_903588487.seq -o /var/tmp/from_scwrl_903588487.pdb > /var/tmp/scwrl_903588487.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_903588487.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS5-scwrl # ReadConformPDB reading from PDB file servers/CPHmodels_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation CPHmodels_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1501925147.pdb -s /var/tmp/to_scwrl_1501925147.seq -o /var/tmp/from_scwrl_1501925147.pdb > /var/tmp/scwrl_1501925147.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1501925147.pdb # conformation set from SCWRL output # naming current conformation CPHmodels_TS1-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_2024307183.pdb -s /var/tmp/to_scwrl_2024307183.seq -o /var/tmp/from_scwrl_2024307183.pdb > /var/tmp/scwrl_2024307183.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2024307183.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 129 # copying to AlignedFragments data structure # naming current conformation CaspIta-FOX_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1615698424.pdb -s /var/tmp/to_scwrl_1615698424.seq -o /var/tmp/from_scwrl_1615698424.pdb > /var/tmp/scwrl_1615698424.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1615698424.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 # Found a chain break before 186 # copying to AlignedFragments data structure # naming current conformation CaspIta-FOX_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1192228575.pdb -s /var/tmp/to_scwrl_1192228575.seq -o /var/tmp/from_scwrl_1192228575.pdb > /var/tmp/scwrl_1192228575.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1192228575.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 187 # copying to AlignedFragments data structure # naming current conformation CaspIta-FOX_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_448887061.pdb -s /var/tmp/to_scwrl_448887061.seq -o /var/tmp/from_scwrl_448887061.pdb > /var/tmp/scwrl_448887061.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_448887061.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 T0379 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation CaspIta-FOX_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_128496791.pdb -s /var/tmp/to_scwrl_128496791.seq -o /var/tmp/from_scwrl_128496791.pdb > /var/tmp/scwrl_128496791.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_128496791.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 T0379 can't currently be optimized by undertaker # naming current conformation Distill_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_17933594.pdb -s /var/tmp/to_scwrl_17933594.seq -o /var/tmp/from_scwrl_17933594.pdb > /var/tmp/scwrl_17933594.log Error: Couldn't open file /var/tmp/from_scwrl_17933594.pdb or /var/tmp/from_scwrl_17933594.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_17933594_b.pdb or decoys//var/tmp/from_scwrl_17933594_b.pdb.gz for input Trying /var/tmp/from_scwrl_17933594_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_17933594_b.pdb or /var/tmp/from_scwrl_17933594_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_17933594_a.pdb or decoys//var/tmp/from_scwrl_17933594_a.pdb.gz for input Trying /var/tmp/from_scwrl_17933594_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_17933594_a.pdb or /var/tmp/from_scwrl_17933594_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_17933594.pdb or /var/tmp/from_scwrl_17933594_b.pdb or /var/tmp/from_scwrl_17933594_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 T0379 can't currently be optimized by undertaker # naming current conformation Distill_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1767851152.pdb -s /var/tmp/to_scwrl_1767851152.seq -o /var/tmp/from_scwrl_1767851152.pdb > /var/tmp/scwrl_1767851152.log Error: Couldn't open file /var/tmp/from_scwrl_1767851152.pdb or /var/tmp/from_scwrl_1767851152.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1767851152_b.pdb or decoys//var/tmp/from_scwrl_1767851152_b.pdb.gz for input Trying /var/tmp/from_scwrl_1767851152_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1767851152_b.pdb or /var/tmp/from_scwrl_1767851152_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1767851152_a.pdb or decoys//var/tmp/from_scwrl_1767851152_a.pdb.gz for input Trying /var/tmp/from_scwrl_1767851152_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1767851152_a.pdb or /var/tmp/from_scwrl_1767851152_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1767851152.pdb or /var/tmp/from_scwrl_1767851152_b.pdb or /var/tmp/from_scwrl_1767851152_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 T0379 can't currently be optimized by undertaker # naming current conformation Distill_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1342811387.pdb -s /var/tmp/to_scwrl_1342811387.seq -o /var/tmp/from_scwrl_1342811387.pdb > /var/tmp/scwrl_1342811387.log Error: Couldn't open file /var/tmp/from_scwrl_1342811387.pdb or /var/tmp/from_scwrl_1342811387.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1342811387_b.pdb or decoys//var/tmp/from_scwrl_1342811387_b.pdb.gz for input Trying /var/tmp/from_scwrl_1342811387_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1342811387_b.pdb or /var/tmp/from_scwrl_1342811387_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1342811387_a.pdb or decoys//var/tmp/from_scwrl_1342811387_a.pdb.gz for input Trying /var/tmp/from_scwrl_1342811387_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1342811387_a.pdb or /var/tmp/from_scwrl_1342811387_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1342811387.pdb or /var/tmp/from_scwrl_1342811387_b.pdb or /var/tmp/from_scwrl_1342811387_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 T0379 can't currently be optimized by undertaker # naming current conformation Distill_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_735386158.pdb -s /var/tmp/to_scwrl_735386158.seq -o /var/tmp/from_scwrl_735386158.pdb > /var/tmp/scwrl_735386158.log Error: Couldn't open file /var/tmp/from_scwrl_735386158.pdb or /var/tmp/from_scwrl_735386158.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_735386158_b.pdb or decoys//var/tmp/from_scwrl_735386158_b.pdb.gz for input Trying /var/tmp/from_scwrl_735386158_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_735386158_b.pdb or /var/tmp/from_scwrl_735386158_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_735386158_a.pdb or decoys//var/tmp/from_scwrl_735386158_a.pdb.gz for input Trying /var/tmp/from_scwrl_735386158_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_735386158_a.pdb or /var/tmp/from_scwrl_735386158_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_735386158.pdb or /var/tmp/from_scwrl_735386158_b.pdb or /var/tmp/from_scwrl_735386158_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 T0379 can't currently be optimized by undertaker # naming current conformation Distill_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1603668210.pdb -s /var/tmp/to_scwrl_1603668210.seq -o /var/tmp/from_scwrl_1603668210.pdb > /var/tmp/scwrl_1603668210.log Error: Couldn't open file /var/tmp/from_scwrl_1603668210.pdb or /var/tmp/from_scwrl_1603668210.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1603668210_b.pdb or decoys//var/tmp/from_scwrl_1603668210_b.pdb.gz for input Trying /var/tmp/from_scwrl_1603668210_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1603668210_b.pdb or /var/tmp/from_scwrl_1603668210_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1603668210_a.pdb or decoys//var/tmp/from_scwrl_1603668210_a.pdb.gz for input Trying /var/tmp/from_scwrl_1603668210_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1603668210_a.pdb or /var/tmp/from_scwrl_1603668210_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1603668210.pdb or /var/tmp/from_scwrl_1603668210_b.pdb or /var/tmp/from_scwrl_1603668210_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 204 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_528409850.pdb -s /var/tmp/to_scwrl_528409850.seq -o /var/tmp/from_scwrl_528409850.pdb > /var/tmp/scwrl_528409850.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_528409850.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 T0379 can't currently be optimized by undertaker # naming current conformation FAMSD_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1120812804.pdb -s /var/tmp/to_scwrl_1120812804.seq -o /var/tmp/from_scwrl_1120812804.pdb > /var/tmp/scwrl_1120812804.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1120812804.pdb # conformation set from SCWRL output # naming current conformation FAMSD_TS2-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation FAMSD_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1710000781.pdb -s /var/tmp/to_scwrl_1710000781.seq -o /var/tmp/from_scwrl_1710000781.pdb > /var/tmp/scwrl_1710000781.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1710000781.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 T0379 can't currently be optimized by undertaker # naming current conformation FAMSD_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1485811339.pdb -s /var/tmp/to_scwrl_1485811339.seq -o /var/tmp/from_scwrl_1485811339.pdb > /var/tmp/scwrl_1485811339.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1485811339.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 T0379 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FAMSD_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1778058312.pdb -s /var/tmp/to_scwrl_1778058312.seq -o /var/tmp/from_scwrl_1778058312.pdb > /var/tmp/scwrl_1778058312.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1778058312.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 203 # copying to AlignedFragments data structure # naming current conformation FAMS_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_2112784441.pdb -s /var/tmp/to_scwrl_2112784441.seq -o /var/tmp/from_scwrl_2112784441.pdb > /var/tmp/scwrl_2112784441.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2112784441.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS1-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation FAMS_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1877639208.pdb -s /var/tmp/to_scwrl_1877639208.seq -o /var/tmp/from_scwrl_1877639208.pdb > /var/tmp/scwrl_1877639208.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1877639208.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS2-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS3.pdb.gz looking for model 1 # Found a chain break before 203 # copying to AlignedFragments data structure # naming current conformation FAMS_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_2100642134.pdb -s /var/tmp/to_scwrl_2100642134.seq -o /var/tmp/from_scwrl_2100642134.pdb > /var/tmp/scwrl_2100642134.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2100642134.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 205 # copying to AlignedFragments data structure # naming current conformation FAMS_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_322134663.pdb -s /var/tmp/to_scwrl_322134663.seq -o /var/tmp/from_scwrl_322134663.pdb > /var/tmp/scwrl_322134663.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_322134663.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 207 # copying to AlignedFragments data structure # naming current conformation FAMS_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1073678791.pdb -s /var/tmp/to_scwrl_1073678791.seq -o /var/tmp/from_scwrl_1073678791.pdb > /var/tmp/scwrl_1073678791.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1073678791.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 197 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_202675513.pdb -s /var/tmp/to_scwrl_202675513.seq -o /var/tmp/from_scwrl_202675513.pdb > /var/tmp/scwrl_202675513.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_202675513.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 197 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_44512584.pdb -s /var/tmp/to_scwrl_44512584.seq -o /var/tmp/from_scwrl_44512584.pdb > /var/tmp/scwrl_44512584.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_44512584.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 204 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1895834505.pdb -s /var/tmp/to_scwrl_1895834505.seq -o /var/tmp/from_scwrl_1895834505.pdb > /var/tmp/scwrl_1895834505.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1895834505.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 194 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1284672444.pdb -s /var/tmp/to_scwrl_1284672444.seq -o /var/tmp/from_scwrl_1284672444.pdb > /var/tmp/scwrl_1284672444.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1284672444.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 194 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_240415673.pdb -s /var/tmp/to_scwrl_240415673.seq -o /var/tmp/from_scwrl_240415673.pdb > /var/tmp/scwrl_240415673.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_240415673.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 T0379 can't currently be optimized by undertaker # naming current conformation FORTE1_AL1 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_662280283.pdb -s /var/tmp/to_scwrl_662280283.seq -o /var/tmp/from_scwrl_662280283.pdb > /var/tmp/scwrl_662280283.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_662280283.pdb # conformation set from SCWRL output # naming current conformation FORTE1_AL1-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL2.pdb.gz looking for model 1 Skipped atom 11, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz Skipped atom 304, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation FORTE1_AL2 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1541916890.pdb -s /var/tmp/to_scwrl_1541916890.seq -o /var/tmp/from_scwrl_1541916890.pdb > /var/tmp/scwrl_1541916890.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1541916890.pdb # conformation set from SCWRL output # naming current conformation FORTE1_AL2-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL3.pdb.gz looking for model 1 Skipped atom 806, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL3.pdb.gz Skipped atom 808, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL3.pdb.gz Skipped atom 810, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL3.pdb.gz Skipped atom 812, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL3.pdb.gz # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation FORTE1_AL3 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_182086920.pdb -s /var/tmp/to_scwrl_182086920.seq -o /var/tmp/from_scwrl_182086920.pdb > /var/tmp/scwrl_182086920.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_182086920.pdb # conformation set from SCWRL output # naming current conformation FORTE1_AL3-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL4 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_281216657.pdb -s /var/tmp/to_scwrl_281216657.seq -o /var/tmp/from_scwrl_281216657.pdb > /var/tmp/scwrl_281216657.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_281216657.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 Skipped atom 34, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 36, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 38, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 40, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 98, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 100, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 102, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 104, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 190, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 192, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 194, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 196, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 246, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 248, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 250, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 252, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 486, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 488, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 490, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 492, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation FORTE1_AL5 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_298021730.pdb -s /var/tmp/to_scwrl_298021730.seq -o /var/tmp/from_scwrl_298021730.pdb > /var/tmp/scwrl_298021730.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_298021730.pdb # conformation set from SCWRL output # naming current conformation FORTE1_AL5-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL1.pdb.gz looking for model 1 Skipped atom 11, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 304, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation FORTE2_AL1 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1684012067.pdb -s /var/tmp/to_scwrl_1684012067.seq -o /var/tmp/from_scwrl_1684012067.pdb > /var/tmp/scwrl_1684012067.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1684012067.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 T0379 can't currently be optimized by undertaker # naming current conformation FORTE2_AL2 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_158040194.pdb -s /var/tmp/to_scwrl_158040194.seq -o /var/tmp/from_scwrl_158040194.pdb > /var/tmp/scwrl_158040194.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_158040194.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 34, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL3.pdb.gz Skipped atom 36, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL3.pdb.gz Skipped atom 38, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL3.pdb.gz Skipped atom 40, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL3.pdb.gz Skipped atom 98, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL3.pdb.gz Skipped atom 100, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL3.pdb.gz Skipped atom 102, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL3.pdb.gz Skipped atom 104, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL3.pdb.gz Skipped atom 190, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL3.pdb.gz Skipped atom 192, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL3.pdb.gz Skipped atom 194, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL3.pdb.gz Skipped atom 196, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL3.pdb.gz Skipped atom 246, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL3.pdb.gz Skipped atom 248, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL3.pdb.gz Skipped atom 250, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL3.pdb.gz Skipped atom 252, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL3.pdb.gz Skipped atom 486, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL3.pdb.gz Skipped atom 488, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL3.pdb.gz Skipped atom 490, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL3.pdb.gz Skipped atom 492, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL3.pdb.gz # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation FORTE2_AL3 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1913720154.pdb -s /var/tmp/to_scwrl_1913720154.seq -o /var/tmp/from_scwrl_1913720154.pdb > /var/tmp/scwrl_1913720154.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1913720154.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 T0379 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE2_AL4 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_728756997.pdb -s /var/tmp/to_scwrl_728756997.seq -o /var/tmp/from_scwrl_728756997.pdb > /var/tmp/scwrl_728756997.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_728756997.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 T0379 can't currently be optimized by undertaker # naming current conformation FORTE2_AL5 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_606927255.pdb -s /var/tmp/to_scwrl_606927255.seq -o /var/tmp/from_scwrl_606927255.pdb > /var/tmp/scwrl_606927255.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_606927255.pdb # conformation set from SCWRL output # naming current conformation FORTE2_AL5-scwrl # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS1.pdb.gz looking for model 1 # Found a chain break before 207 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_2042216945.pdb -s /var/tmp/to_scwrl_2042216945.seq -o /var/tmp/from_scwrl_2042216945.pdb > /var/tmp/scwrl_2042216945.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2042216945.pdb # conformation set from SCWRL output # naming current conformation FPSOLVER-SERVER_TS1-scwrl # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS2.pdb.gz looking for model 1 # Found a chain break before 200 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_746690591.pdb -s /var/tmp/to_scwrl_746690591.seq -o /var/tmp/from_scwrl_746690591.pdb > /var/tmp/scwrl_746690591.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_746690591.pdb # conformation set from SCWRL output # naming current conformation FPSOLVER-SERVER_TS2-scwrl # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS3.pdb.gz looking for model 1 # Found a chain break before 150 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_227294760.pdb -s /var/tmp/to_scwrl_227294760.seq -o /var/tmp/from_scwrl_227294760.pdb > /var/tmp/scwrl_227294760.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_227294760.pdb # conformation set from SCWRL output # naming current conformation FPSOLVER-SERVER_TS3-scwrl # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS4.pdb.gz looking for model 1 # Found a chain break before 207 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1237544686.pdb -s /var/tmp/to_scwrl_1237544686.seq -o /var/tmp/from_scwrl_1237544686.pdb > /var/tmp/scwrl_1237544686.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1237544686.pdb # conformation set from SCWRL output # naming current conformation FPSOLVER-SERVER_TS4-scwrl # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS5.pdb.gz looking for model 1 # Found a chain break before 194 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1482076749.pdb -s /var/tmp/to_scwrl_1482076749.seq -o /var/tmp/from_scwrl_1482076749.pdb > /var/tmp/scwrl_1482076749.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1482076749.pdb # conformation set from SCWRL output # naming current conformation FPSOLVER-SERVER_TS5-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1830962970.pdb -s /var/tmp/to_scwrl_1830962970.seq -o /var/tmp/from_scwrl_1830962970.pdb > /var/tmp/scwrl_1830962970.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1830962970.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS1-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS2.pdb.gz looking for model 1 # Found a chain break before 164 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1765954536.pdb -s /var/tmp/to_scwrl_1765954536.seq -o /var/tmp/from_scwrl_1765954536.pdb > /var/tmp/scwrl_1765954536.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1765954536.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 197 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_455405907.pdb -s /var/tmp/to_scwrl_455405907.seq -o /var/tmp/from_scwrl_455405907.pdb > /var/tmp/scwrl_455405907.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_455405907.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS3-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS4.pdb.gz looking for model 1 # Found a chain break before 194 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1393480104.pdb -s /var/tmp/to_scwrl_1393480104.seq -o /var/tmp/from_scwrl_1393480104.pdb > /var/tmp/scwrl_1393480104.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1393480104.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS4-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS5.pdb.gz looking for model 1 # Found a chain break before 150 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1104282228.pdb -s /var/tmp/to_scwrl_1104282228.seq -o /var/tmp/from_scwrl_1104282228.pdb > /var/tmp/scwrl_1104282228.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1104282228.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 T0379 can't currently be optimized by undertaker # naming current conformation FUGUE_AL1 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_85980572.pdb -s /var/tmp/to_scwrl_85980572.seq -o /var/tmp/from_scwrl_85980572.pdb > /var/tmp/scwrl_85980572.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_85980572.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 T0379 can't currently be optimized by undertaker # naming current conformation FUGUE_AL2 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1358780898.pdb -s /var/tmp/to_scwrl_1358780898.seq -o /var/tmp/from_scwrl_1358780898.pdb > /var/tmp/scwrl_1358780898.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1358780898.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 T0379 can't currently be optimized by undertaker # naming current conformation FUGUE_AL3 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_834437790.pdb -s /var/tmp/to_scwrl_834437790.seq -o /var/tmp/from_scwrl_834437790.pdb > /var/tmp/scwrl_834437790.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_834437790.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 T0379 can't currently be optimized by undertaker # naming current conformation FUGUE_AL4 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_39139059.pdb -s /var/tmp/to_scwrl_39139059.seq -o /var/tmp/from_scwrl_39139059.pdb > /var/tmp/scwrl_39139059.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_39139059.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 T0379 can't currently be optimized by undertaker # naming current conformation FUGUE_AL5 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1680915562.pdb -s /var/tmp/to_scwrl_1680915562.seq -o /var/tmp/from_scwrl_1680915562.pdb > /var/tmp/scwrl_1680915562.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1680915562.pdb # conformation set from SCWRL output # naming current conformation FUGUE_AL5-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1908116581.pdb -s /var/tmp/to_scwrl_1908116581.seq -o /var/tmp/from_scwrl_1908116581.pdb > /var/tmp/scwrl_1908116581.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1908116581.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 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation FUNCTION_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_241814572.pdb -s /var/tmp/to_scwrl_241814572.seq -o /var/tmp/from_scwrl_241814572.pdb > /var/tmp/scwrl_241814572.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_241814572.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 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1725428146.pdb -s /var/tmp/to_scwrl_1725428146.seq -o /var/tmp/from_scwrl_1725428146.pdb > /var/tmp/scwrl_1725428146.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1725428146.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 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation FUNCTION_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1656467439.pdb -s /var/tmp/to_scwrl_1656467439.seq -o /var/tmp/from_scwrl_1656467439.pdb > /var/tmp/scwrl_1656467439.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1656467439.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 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1526487016.pdb -s /var/tmp/to_scwrl_1526487016.seq -o /var/tmp/from_scwrl_1526487016.pdb > /var/tmp/scwrl_1526487016.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1526487016.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS5-scwrl # ReadConformPDB reading from PDB file servers/Frankenstein_TS1.pdb.gz looking for model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1965843819.pdb -s /var/tmp/to_scwrl_1965843819.seq -o /var/tmp/from_scwrl_1965843819.pdb > /var/tmp/scwrl_1965843819.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1965843819.pdb # conformation set from SCWRL output # naming current conformation Frankenstein_TS1-scwrl # ReadConformPDB reading from PDB file servers/Frankenstein_TS2.pdb.gz looking for model 1 # Found a chain break before 174 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_171264076.pdb -s /var/tmp/to_scwrl_171264076.seq -o /var/tmp/from_scwrl_171264076.pdb > /var/tmp/scwrl_171264076.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_171264076.pdb # conformation set from SCWRL output # naming current conformation Frankenstein_TS2-scwrl # ReadConformPDB reading from PDB file servers/Frankenstein_TS3.pdb.gz looking for model 1 # Found a chain break before 193 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_920920261.pdb -s /var/tmp/to_scwrl_920920261.seq -o /var/tmp/from_scwrl_920920261.pdb > /var/tmp/scwrl_920920261.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_920920261.pdb # conformation set from SCWRL output # naming current conformation Frankenstein_TS3-scwrl # ReadConformPDB reading from PDB file servers/Frankenstein_TS4.pdb.gz looking for model 1 # Found a chain break before 203 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_447092.pdb -s /var/tmp/to_scwrl_447092.seq -o /var/tmp/from_scwrl_447092.pdb > /var/tmp/scwrl_447092.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_447092.pdb # conformation set from SCWRL output # naming current conformation Frankenstein_TS4-scwrl # ReadConformPDB reading from PDB file servers/Frankenstein_TS5.pdb.gz looking for model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_452480733.pdb -s /var/tmp/to_scwrl_452480733.seq -o /var/tmp/from_scwrl_452480733.pdb > /var/tmp/scwrl_452480733.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_452480733.pdb # conformation set from SCWRL output # naming current conformation Frankenstein_TS5-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1218941990.pdb -s /var/tmp/to_scwrl_1218941990.seq -o /var/tmp/from_scwrl_1218941990.pdb > /var/tmp/scwrl_1218941990.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1218941990.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS1-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1684459160.pdb -s /var/tmp/to_scwrl_1684459160.seq -o /var/tmp/from_scwrl_1684459160.pdb > /var/tmp/scwrl_1684459160.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1684459160.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS2-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_610520927.pdb -s /var/tmp/to_scwrl_610520927.seq -o /var/tmp/from_scwrl_610520927.pdb > /var/tmp/scwrl_610520927.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_610520927.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS4-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_985178499.pdb -s /var/tmp/to_scwrl_985178499.seq -o /var/tmp/from_scwrl_985178499.pdb > /var/tmp/scwrl_985178499.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_985178499.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 198 # copying to AlignedFragments data structure # naming current conformation HHpred1_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_265732510.pdb -s /var/tmp/to_scwrl_265732510.seq -o /var/tmp/from_scwrl_265732510.pdb > /var/tmp/scwrl_265732510.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_265732510.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 186 # copying to AlignedFragments data structure # naming current conformation HHpred2_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1217448181.pdb -s /var/tmp/to_scwrl_1217448181.seq -o /var/tmp/from_scwrl_1217448181.pdb > /var/tmp/scwrl_1217448181.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1217448181.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 196 # copying to AlignedFragments data structure # naming current conformation HHpred3_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_879911797.pdb -s /var/tmp/to_scwrl_879911797.seq -o /var/tmp/from_scwrl_879911797.pdb > /var/tmp/scwrl_879911797.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_879911797.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 T0379 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1012423101.pdb -s /var/tmp/to_scwrl_1012423101.seq -o /var/tmp/from_scwrl_1012423101.pdb > /var/tmp/scwrl_1012423101.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1012423101.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 T0379 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1444742941.pdb -s /var/tmp/to_scwrl_1444742941.seq -o /var/tmp/from_scwrl_1444742941.pdb > /var/tmp/scwrl_1444742941.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1444742941.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 T0379 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_2117456483.pdb -s /var/tmp/to_scwrl_2117456483.seq -o /var/tmp/from_scwrl_2117456483.pdb > /var/tmp/scwrl_2117456483.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2117456483.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 T0379 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_347016203.pdb -s /var/tmp/to_scwrl_347016203.seq -o /var/tmp/from_scwrl_347016203.pdb > /var/tmp/scwrl_347016203.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_347016203.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 T0379 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1128222264.pdb -s /var/tmp/to_scwrl_1128222264.seq -o /var/tmp/from_scwrl_1128222264.pdb > /var/tmp/scwrl_1128222264.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1128222264.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 T0379 can't currently be optimized by undertaker # naming current conformation LOOPP_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1735927372.pdb -s /var/tmp/to_scwrl_1735927372.seq -o /var/tmp/from_scwrl_1735927372.pdb > /var/tmp/scwrl_1735927372.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1735927372.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 T0379 can't currently be optimized by undertaker # naming current conformation LOOPP_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_802422110.pdb -s /var/tmp/to_scwrl_802422110.seq -o /var/tmp/from_scwrl_802422110.pdb > /var/tmp/scwrl_802422110.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_802422110.pdb # conformation set from SCWRL output # naming current conformation LOOPP_TS2-scwrl # ReadConformPDB reading from PDB file servers/LOOPP_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation LOOPP_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_374218723.pdb -s /var/tmp/to_scwrl_374218723.seq -o /var/tmp/from_scwrl_374218723.pdb > /var/tmp/scwrl_374218723.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_374218723.pdb # conformation set from SCWRL output # naming current conformation LOOPP_TS3-scwrl # ReadConformPDB reading from PDB file servers/LOOPP_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation LOOPP_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_692725954.pdb -s /var/tmp/to_scwrl_692725954.seq -o /var/tmp/from_scwrl_692725954.pdb > /var/tmp/scwrl_692725954.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_692725954.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 T0379 can't currently be optimized by undertaker # naming current conformation LOOPP_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_888402682.pdb -s /var/tmp/to_scwrl_888402682.seq -o /var/tmp/from_scwrl_888402682.pdb > /var/tmp/scwrl_888402682.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_888402682.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 T0379 can't currently be optimized by undertaker # naming current conformation MIG_FROST_AL1 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1732999621.pdb -s /var/tmp/to_scwrl_1732999621.seq -o /var/tmp/from_scwrl_1732999621.pdb > /var/tmp/scwrl_1732999621.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1732999621.pdb # conformation set from SCWRL output # naming current conformation MIG_FROST_AL1-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS1.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1527163744.pdb -s /var/tmp/to_scwrl_1527163744.seq -o /var/tmp/from_scwrl_1527163744.pdb > /var/tmp/scwrl_1527163744.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1527163744.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server2_TS1-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS2.pdb.gz looking for model 1 # Found a chain break before 204 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_927541741.pdb -s /var/tmp/to_scwrl_927541741.seq -o /var/tmp/from_scwrl_927541741.pdb > /var/tmp/scwrl_927541741.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_927541741.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server2_TS2-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS3.pdb.gz looking for model 1 # Found a chain break before 203 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1266431536.pdb -s /var/tmp/to_scwrl_1266431536.seq -o /var/tmp/from_scwrl_1266431536.pdb > /var/tmp/scwrl_1266431536.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1266431536.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server2_TS3-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS4.pdb.gz looking for model 1 # Found a chain break before 197 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1287796678.pdb -s /var/tmp/to_scwrl_1287796678.seq -o /var/tmp/from_scwrl_1287796678.pdb > /var/tmp/scwrl_1287796678.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1287796678.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server2_TS4-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS5.pdb.gz looking for model 1 # Found a chain break before 166 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1169356313.pdb -s /var/tmp/to_scwrl_1169356313.seq -o /var/tmp/from_scwrl_1169356313.pdb > /var/tmp/scwrl_1169356313.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1169356313.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server2_TS5-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS1.pdb.gz looking for model 1 # Found a chain break before 197 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_844376036.pdb -s /var/tmp/to_scwrl_844376036.seq -o /var/tmp/from_scwrl_844376036.pdb > /var/tmp/scwrl_844376036.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_844376036.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 203 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_796780471.pdb -s /var/tmp/to_scwrl_796780471.seq -o /var/tmp/from_scwrl_796780471.pdb > /var/tmp/scwrl_796780471.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_796780471.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 131 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_548359683.pdb -s /var/tmp/to_scwrl_548359683.seq -o /var/tmp/from_scwrl_548359683.pdb > /var/tmp/scwrl_548359683.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_548359683.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 166 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_662736209.pdb -s /var/tmp/to_scwrl_662736209.seq -o /var/tmp/from_scwrl_662736209.pdb > /var/tmp/scwrl_662736209.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_662736209.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 186 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_968044547.pdb -s /var/tmp/to_scwrl_968044547.seq -o /var/tmp/from_scwrl_968044547.pdb > /var/tmp/scwrl_968044547.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_968044547.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 190 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1469279943.pdb -s /var/tmp/to_scwrl_1469279943.seq -o /var/tmp/from_scwrl_1469279943.pdb > /var/tmp/scwrl_1469279943.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1469279943.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 202 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_663183301.pdb -s /var/tmp/to_scwrl_663183301.seq -o /var/tmp/from_scwrl_663183301.pdb > /var/tmp/scwrl_663183301.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_663183301.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 205 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1420525280.pdb -s /var/tmp/to_scwrl_1420525280.seq -o /var/tmp/from_scwrl_1420525280.pdb > /var/tmp/scwrl_1420525280.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1420525280.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 200 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_540738288.pdb -s /var/tmp/to_scwrl_540738288.seq -o /var/tmp/from_scwrl_540738288.pdb > /var/tmp/scwrl_540738288.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_540738288.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 207 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_200158814.pdb -s /var/tmp/to_scwrl_200158814.seq -o /var/tmp/from_scwrl_200158814.pdb > /var/tmp/scwrl_200158814.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_200158814.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 T0379 can't currently be optimized by undertaker # naming current conformation NN_PUT_lab_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_2031046207.pdb -s /var/tmp/to_scwrl_2031046207.seq -o /var/tmp/from_scwrl_2031046207.pdb > /var/tmp/scwrl_2031046207.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2031046207.pdb # conformation set from SCWRL output # naming current conformation NN_PUT_lab_TS1-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS1.pdb.gz looking for model 1 # Found a chain break before 131 # copying to AlignedFragments data structure # naming current conformation PROTINFO-AB_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1525916786.pdb -s /var/tmp/to_scwrl_1525916786.seq -o /var/tmp/from_scwrl_1525916786.pdb > /var/tmp/scwrl_1525916786.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1525916786.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 # Found a chain break before 135 # copying to AlignedFragments data structure # naming current conformation PROTINFO-AB_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_465891324.pdb -s /var/tmp/to_scwrl_465891324.seq -o /var/tmp/from_scwrl_465891324.pdb > /var/tmp/scwrl_465891324.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_465891324.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 # Found a chain break before 133 # copying to AlignedFragments data structure # naming current conformation PROTINFO-AB_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1101010742.pdb -s /var/tmp/to_scwrl_1101010742.seq -o /var/tmp/from_scwrl_1101010742.pdb > /var/tmp/scwrl_1101010742.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1101010742.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 # Found a chain break before 134 # copying to AlignedFragments data structure # naming current conformation PROTINFO-AB_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_258344936.pdb -s /var/tmp/to_scwrl_258344936.seq -o /var/tmp/from_scwrl_258344936.pdb > /var/tmp/scwrl_258344936.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_258344936.pdb # conformation set from SCWRL output # naming current conformation PROTINFO-AB_TS4-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS5.pdb.gz looking for model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # naming current conformation PROTINFO-AB_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1478314425.pdb -s /var/tmp/to_scwrl_1478314425.seq -o /var/tmp/from_scwrl_1478314425.pdb > /var/tmp/scwrl_1478314425.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1478314425.pdb # conformation set from SCWRL output # naming current conformation PROTINFO-AB_TS5-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS1.pdb.gz looking for model 1 # Found a chain break before 135 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_398270037.pdb -s /var/tmp/to_scwrl_398270037.seq -o /var/tmp/from_scwrl_398270037.pdb > /var/tmp/scwrl_398270037.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_398270037.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS1-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS2.pdb.gz looking for model 1 # Found a chain break before 199 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_228317773.pdb -s /var/tmp/to_scwrl_228317773.seq -o /var/tmp/from_scwrl_228317773.pdb > /var/tmp/scwrl_228317773.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_228317773.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS2-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS3.pdb.gz looking for model 1 # Found a chain break before 200 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1825330628.pdb -s /var/tmp/to_scwrl_1825330628.seq -o /var/tmp/from_scwrl_1825330628.pdb > /var/tmp/scwrl_1825330628.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1825330628.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS3-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS4.pdb.gz looking for model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1526492302.pdb -s /var/tmp/to_scwrl_1526492302.seq -o /var/tmp/from_scwrl_1526492302.pdb > /var/tmp/scwrl_1526492302.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1526492302.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS4-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS5.pdb.gz looking for model 1 # Found a chain break before 205 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1964245145.pdb -s /var/tmp/to_scwrl_1964245145.seq -o /var/tmp/from_scwrl_1964245145.pdb > /var/tmp/scwrl_1964245145.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1964245145.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 T0379 can't currently be optimized by undertaker # naming current conformation Pcons6_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_480269092.pdb -s /var/tmp/to_scwrl_480269092.seq -o /var/tmp/from_scwrl_480269092.pdb > /var/tmp/scwrl_480269092.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_480269092.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 T0379 can't currently be optimized by undertaker # naming current conformation Pcons6_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1900711025.pdb -s /var/tmp/to_scwrl_1900711025.seq -o /var/tmp/from_scwrl_1900711025.pdb > /var/tmp/scwrl_1900711025.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1900711025.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 T0379 can't currently be optimized by undertaker # naming current conformation Pcons6_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_509487453.pdb -s /var/tmp/to_scwrl_509487453.seq -o /var/tmp/from_scwrl_509487453.pdb > /var/tmp/scwrl_509487453.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_509487453.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 T0379 can't currently be optimized by undertaker # naming current conformation Pcons6_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1368671773.pdb -s /var/tmp/to_scwrl_1368671773.seq -o /var/tmp/from_scwrl_1368671773.pdb > /var/tmp/scwrl_1368671773.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1368671773.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 T0379 can't currently be optimized by undertaker # naming current conformation Pcons6_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1486226999.pdb -s /var/tmp/to_scwrl_1486226999.seq -o /var/tmp/from_scwrl_1486226999.pdb > /var/tmp/scwrl_1486226999.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1486226999.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 T0379 can't currently be optimized by undertaker # naming current conformation Phyre-1_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_2036651197.pdb -s /var/tmp/to_scwrl_2036651197.seq -o /var/tmp/from_scwrl_2036651197.pdb > /var/tmp/scwrl_2036651197.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2036651197.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 T0379 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 188 ; scwrl -i /var/tmp/to_scwrl_148729868.pdb -s /var/tmp/to_scwrl_148729868.seq -o /var/tmp/from_scwrl_148729868.pdb > /var/tmp/scwrl_148729868.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_148729868.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS1-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS2.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_605174890.pdb -s /var/tmp/to_scwrl_605174890.seq -o /var/tmp/from_scwrl_605174890.pdb > /var/tmp/scwrl_605174890.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_605174890.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS2-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS3.pdb.gz looking for model 1 # Found a chain break before 195 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1176964228.pdb -s /var/tmp/to_scwrl_1176964228.seq -o /var/tmp/from_scwrl_1176964228.pdb > /var/tmp/scwrl_1176964228.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1176964228.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 # Found a chain break before 207 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1318086181.pdb -s /var/tmp/to_scwrl_1318086181.seq -o /var/tmp/from_scwrl_1318086181.pdb > /var/tmp/scwrl_1318086181.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1318086181.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 T0379 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 188 ; scwrl -i /var/tmp/to_scwrl_1449550925.pdb -s /var/tmp/to_scwrl_1449550925.seq -o /var/tmp/from_scwrl_1449550925.pdb > /var/tmp/scwrl_1449550925.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1449550925.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS5-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS1.pdb.gz looking for model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1973744699.pdb -s /var/tmp/to_scwrl_1973744699.seq -o /var/tmp/from_scwrl_1973744699.pdb > /var/tmp/scwrl_1973744699.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1973744699.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS1-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS2.pdb.gz looking for model 1 # Found a chain break before 123 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1866445864.pdb -s /var/tmp/to_scwrl_1866445864.seq -o /var/tmp/from_scwrl_1866445864.pdb > /var/tmp/scwrl_1866445864.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1866445864.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 T0379 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_2112287134.pdb -s /var/tmp/to_scwrl_2112287134.seq -o /var/tmp/from_scwrl_2112287134.pdb > /var/tmp/scwrl_2112287134.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2112287134.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 T0379 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_794305600.pdb -s /var/tmp/to_scwrl_794305600.seq -o /var/tmp/from_scwrl_794305600.pdb > /var/tmp/scwrl_794305600.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_794305600.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 T0379 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1188242161.pdb -s /var/tmp/to_scwrl_1188242161.seq -o /var/tmp/from_scwrl_1188242161.pdb > /var/tmp/scwrl_1188242161.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1188242161.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 201 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_627986789.pdb -s /var/tmp/to_scwrl_627986789.seq -o /var/tmp/from_scwrl_627986789.pdb > /var/tmp/scwrl_627986789.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_627986789.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 200 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_67347233.pdb -s /var/tmp/to_scwrl_67347233.seq -o /var/tmp/from_scwrl_67347233.pdb > /var/tmp/scwrl_67347233.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_67347233.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 196 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1728980449.pdb -s /var/tmp/to_scwrl_1728980449.seq -o /var/tmp/from_scwrl_1728980449.pdb > /var/tmp/scwrl_1728980449.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1728980449.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 197 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_828145603.pdb -s /var/tmp/to_scwrl_828145603.seq -o /var/tmp/from_scwrl_828145603.pdb > /var/tmp/scwrl_828145603.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_828145603.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 198 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_2098393440.pdb -s /var/tmp/to_scwrl_2098393440.seq -o /var/tmp/from_scwrl_2098393440.pdb > /var/tmp/scwrl_2098393440.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2098393440.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 198 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1107413588.pdb -s /var/tmp/to_scwrl_1107413588.seq -o /var/tmp/from_scwrl_1107413588.pdb > /var/tmp/scwrl_1107413588.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1107413588.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 196 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1294036927.pdb -s /var/tmp/to_scwrl_1294036927.seq -o /var/tmp/from_scwrl_1294036927.pdb > /var/tmp/scwrl_1294036927.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1294036927.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 197 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1051920536.pdb -s /var/tmp/to_scwrl_1051920536.seq -o /var/tmp/from_scwrl_1051920536.pdb > /var/tmp/scwrl_1051920536.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1051920536.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 163 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1365758524.pdb -s /var/tmp/to_scwrl_1365758524.seq -o /var/tmp/from_scwrl_1365758524.pdb > /var/tmp/scwrl_1365758524.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1365758524.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 197 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_624867706.pdb -s /var/tmp/to_scwrl_624867706.seq -o /var/tmp/from_scwrl_624867706.pdb > /var/tmp/scwrl_624867706.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_624867706.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 199 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1450190573.pdb -s /var/tmp/to_scwrl_1450190573.seq -o /var/tmp/from_scwrl_1450190573.pdb > /var/tmp/scwrl_1450190573.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1450190573.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 186 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1594076297.pdb -s /var/tmp/to_scwrl_1594076297.seq -o /var/tmp/from_scwrl_1594076297.pdb > /var/tmp/scwrl_1594076297.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1594076297.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 199 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_302714687.pdb -s /var/tmp/to_scwrl_302714687.seq -o /var/tmp/from_scwrl_302714687.pdb > /var/tmp/scwrl_302714687.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_302714687.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 199 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_829199229.pdb -s /var/tmp/to_scwrl_829199229.seq -o /var/tmp/from_scwrl_829199229.pdb > /var/tmp/scwrl_829199229.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_829199229.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 198 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1410837796.pdb -s /var/tmp/to_scwrl_1410837796.seq -o /var/tmp/from_scwrl_1410837796.pdb > /var/tmp/scwrl_1410837796.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1410837796.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 118 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_782983779.pdb -s /var/tmp/to_scwrl_782983779.seq -o /var/tmp/from_scwrl_782983779.pdb > /var/tmp/scwrl_782983779.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_782983779.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 114 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_582426607.pdb -s /var/tmp/to_scwrl_582426607.seq -o /var/tmp/from_scwrl_582426607.pdb > /var/tmp/scwrl_582426607.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_582426607.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 118 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1920325249.pdb -s /var/tmp/to_scwrl_1920325249.seq -o /var/tmp/from_scwrl_1920325249.pdb > /var/tmp/scwrl_1920325249.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1920325249.pdb # conformation set from SCWRL output # naming current conformation ROBETTA_TS3-scwrl # ReadConformPDB reading from PDB file servers/ROBETTA_TS4.pdb.gz looking for model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_4171906.pdb -s /var/tmp/to_scwrl_4171906.seq -o /var/tmp/from_scwrl_4171906.pdb > /var/tmp/scwrl_4171906.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_4171906.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 123 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_2068653606.pdb -s /var/tmp/to_scwrl_2068653606.seq -o /var/tmp/from_scwrl_2068653606.pdb > /var/tmp/scwrl_2068653606.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2068653606.pdb # conformation set from SCWRL output # naming current conformation ROBETTA_TS5-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS1.pdb.gz looking for model 1 # Found a chain break before 197 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1809492799.pdb -s /var/tmp/to_scwrl_1809492799.seq -o /var/tmp/from_scwrl_1809492799.pdb > /var/tmp/scwrl_1809492799.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1809492799.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS1-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS2.pdb.gz looking for model 1 # Found a chain break before 184 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_152901774.pdb -s /var/tmp/to_scwrl_152901774.seq -o /var/tmp/from_scwrl_152901774.pdb > /var/tmp/scwrl_152901774.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_152901774.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS2-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS3.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_526344849.pdb -s /var/tmp/to_scwrl_526344849.seq -o /var/tmp/from_scwrl_526344849.pdb > /var/tmp/scwrl_526344849.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_526344849.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS3-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS4.pdb.gz looking for model 1 # Found a chain break before 196 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_838973381.pdb -s /var/tmp/to_scwrl_838973381.seq -o /var/tmp/from_scwrl_838973381.pdb > /var/tmp/scwrl_838973381.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_838973381.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 # Found a chain break before 186 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1470987955.pdb -s /var/tmp/to_scwrl_1470987955.seq -o /var/tmp/from_scwrl_1470987955.pdb > /var/tmp/scwrl_1470987955.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1470987955.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS5-scwrl # ReadConformPDB reading from PDB file servers/SAM-T02_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL1 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1975895775.pdb -s /var/tmp/to_scwrl_1975895775.seq -o /var/tmp/from_scwrl_1975895775.pdb > /var/tmp/scwrl_1975895775.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1975895775.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 T0379 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL2 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_665234433.pdb -s /var/tmp/to_scwrl_665234433.seq -o /var/tmp/from_scwrl_665234433.pdb > /var/tmp/scwrl_665234433.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_665234433.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 T0379 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL3 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1189950172.pdb -s /var/tmp/to_scwrl_1189950172.seq -o /var/tmp/from_scwrl_1189950172.pdb > /var/tmp/scwrl_1189950172.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1189950172.pdb # conformation set from SCWRL output # naming current conformation SAM-T02_AL3-scwrl # ReadConformPDB reading from PDB file servers/SAM-T02_AL4.pdb.gz looking for model 1 Skipped atom 310, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 312, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 314, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 316, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 362, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 364, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 366, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 368, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 382, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 384, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 386, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 388, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 390, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 392, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 394, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 396, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 666, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 668, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 670, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 672, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL4 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1940699262.pdb -s /var/tmp/to_scwrl_1940699262.seq -o /var/tmp/from_scwrl_1940699262.pdb > /var/tmp/scwrl_1940699262.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1940699262.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 T0379 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL5 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1459540032.pdb -s /var/tmp/to_scwrl_1459540032.seq -o /var/tmp/from_scwrl_1459540032.pdb > /var/tmp/scwrl_1459540032.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1459540032.pdb # conformation set from SCWRL output # naming current conformation SAM-T02_AL5-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL1 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_230708687.pdb -s /var/tmp/to_scwrl_230708687.seq -o /var/tmp/from_scwrl_230708687.pdb > /var/tmp/scwrl_230708687.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_230708687.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL1-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL2 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_421202404.pdb -s /var/tmp/to_scwrl_421202404.seq -o /var/tmp/from_scwrl_421202404.pdb > /var/tmp/scwrl_421202404.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_421202404.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL2-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL3 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1526887265.pdb -s /var/tmp/to_scwrl_1526887265.seq -o /var/tmp/from_scwrl_1526887265.pdb > /var/tmp/scwrl_1526887265.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1526887265.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL3-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL4 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1959689136.pdb -s /var/tmp/to_scwrl_1959689136.seq -o /var/tmp/from_scwrl_1959689136.pdb > /var/tmp/scwrl_1959689136.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1959689136.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL4-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL5 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1249348007.pdb -s /var/tmp/to_scwrl_1249348007.seq -o /var/tmp/from_scwrl_1249348007.pdb > /var/tmp/scwrl_1249348007.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1249348007.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL5-scwrl # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS1.pdb.gz looking for model 1 # Found a chain break before 206 # copying to AlignedFragments data structure # naming current conformation SAM_T06_server_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1477797059.pdb -s /var/tmp/to_scwrl_1477797059.seq -o /var/tmp/from_scwrl_1477797059.pdb > /var/tmp/scwrl_1477797059.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1477797059.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 T0379 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_919619078.pdb -s /var/tmp/to_scwrl_919619078.seq -o /var/tmp/from_scwrl_919619078.pdb > /var/tmp/scwrl_919619078.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_919619078.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 T0379 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_395901288.pdb -s /var/tmp/to_scwrl_395901288.seq -o /var/tmp/from_scwrl_395901288.pdb > /var/tmp/scwrl_395901288.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_395901288.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 T0379 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_382233948.pdb -s /var/tmp/to_scwrl_382233948.seq -o /var/tmp/from_scwrl_382233948.pdb > /var/tmp/scwrl_382233948.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_382233948.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 T0379 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_137893956.pdb -s /var/tmp/to_scwrl_137893956.seq -o /var/tmp/from_scwrl_137893956.pdb > /var/tmp/scwrl_137893956.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_137893956.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 197 # copying to AlignedFragments data structure # naming current conformation SP3_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1020768994.pdb -s /var/tmp/to_scwrl_1020768994.seq -o /var/tmp/from_scwrl_1020768994.pdb > /var/tmp/scwrl_1020768994.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1020768994.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 122 # copying to AlignedFragments data structure # naming current conformation SP3_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1832424521.pdb -s /var/tmp/to_scwrl_1832424521.seq -o /var/tmp/from_scwrl_1832424521.pdb > /var/tmp/scwrl_1832424521.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1832424521.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 204 # copying to AlignedFragments data structure # naming current conformation SP3_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1731970253.pdb -s /var/tmp/to_scwrl_1731970253.seq -o /var/tmp/from_scwrl_1731970253.pdb > /var/tmp/scwrl_1731970253.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1731970253.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 186 # copying to AlignedFragments data structure # naming current conformation SP3_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1323483680.pdb -s /var/tmp/to_scwrl_1323483680.seq -o /var/tmp/from_scwrl_1323483680.pdb > /var/tmp/scwrl_1323483680.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1323483680.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 184 # copying to AlignedFragments data structure # naming current conformation SP3_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_514140103.pdb -s /var/tmp/to_scwrl_514140103.seq -o /var/tmp/from_scwrl_514140103.pdb > /var/tmp/scwrl_514140103.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_514140103.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 197 # copying to AlignedFragments data structure # naming current conformation SP4_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_995324403.pdb -s /var/tmp/to_scwrl_995324403.seq -o /var/tmp/from_scwrl_995324403.pdb > /var/tmp/scwrl_995324403.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_995324403.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 171 # copying to AlignedFragments data structure # naming current conformation SP4_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_2106467460.pdb -s /var/tmp/to_scwrl_2106467460.seq -o /var/tmp/from_scwrl_2106467460.pdb > /var/tmp/scwrl_2106467460.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2106467460.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 199 # copying to AlignedFragments data structure # naming current conformation SP4_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1096566709.pdb -s /var/tmp/to_scwrl_1096566709.seq -o /var/tmp/from_scwrl_1096566709.pdb > /var/tmp/scwrl_1096566709.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1096566709.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 186 # copying to AlignedFragments data structure # naming current conformation SP4_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_768166005.pdb -s /var/tmp/to_scwrl_768166005.seq -o /var/tmp/from_scwrl_768166005.pdb > /var/tmp/scwrl_768166005.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_768166005.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 184 # copying to AlignedFragments data structure # naming current conformation SP4_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_2110639366.pdb -s /var/tmp/to_scwrl_2110639366.seq -o /var/tmp/from_scwrl_2110639366.pdb > /var/tmp/scwrl_2110639366.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2110639366.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 196 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1017736670.pdb -s /var/tmp/to_scwrl_1017736670.seq -o /var/tmp/from_scwrl_1017736670.pdb > /var/tmp/scwrl_1017736670.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1017736670.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 191 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_430175157.pdb -s /var/tmp/to_scwrl_430175157.seq -o /var/tmp/from_scwrl_430175157.pdb > /var/tmp/scwrl_430175157.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_430175157.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 201 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_116057493.pdb -s /var/tmp/to_scwrl_116057493.seq -o /var/tmp/from_scwrl_116057493.pdb > /var/tmp/scwrl_116057493.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_116057493.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 196 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1544081518.pdb -s /var/tmp/to_scwrl_1544081518.seq -o /var/tmp/from_scwrl_1544081518.pdb > /var/tmp/scwrl_1544081518.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1544081518.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 186 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1269148537.pdb -s /var/tmp/to_scwrl_1269148537.seq -o /var/tmp/from_scwrl_1269148537.pdb > /var/tmp/scwrl_1269148537.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1269148537.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 T0379 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1587045448.pdb -s /var/tmp/to_scwrl_1587045448.seq -o /var/tmp/from_scwrl_1587045448.pdb > /var/tmp/scwrl_1587045448.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1587045448.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 T0379 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1372493646.pdb -s /var/tmp/to_scwrl_1372493646.seq -o /var/tmp/from_scwrl_1372493646.pdb > /var/tmp/scwrl_1372493646.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1372493646.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 T0379 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1934382971.pdb -s /var/tmp/to_scwrl_1934382971.seq -o /var/tmp/from_scwrl_1934382971.pdb > /var/tmp/scwrl_1934382971.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1934382971.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 T0379 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_629511974.pdb -s /var/tmp/to_scwrl_629511974.seq -o /var/tmp/from_scwrl_629511974.pdb > /var/tmp/scwrl_629511974.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_629511974.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 T0379 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1165709262.pdb -s /var/tmp/to_scwrl_1165709262.seq -o /var/tmp/from_scwrl_1165709262.pdb > /var/tmp/scwrl_1165709262.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1165709262.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 T0379 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation UNI-EID_expm_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1246439356.pdb -s /var/tmp/to_scwrl_1246439356.seq -o /var/tmp/from_scwrl_1246439356.pdb > /var/tmp/scwrl_1246439356.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1246439356.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 T0379 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL1 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_860220662.pdb -s /var/tmp/to_scwrl_860220662.seq -o /var/tmp/from_scwrl_860220662.pdb > /var/tmp/scwrl_860220662.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_860220662.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 T0379 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL2 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1586911666.pdb -s /var/tmp/to_scwrl_1586911666.seq -o /var/tmp/from_scwrl_1586911666.pdb > /var/tmp/scwrl_1586911666.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1586911666.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 T0379 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL3 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_625842976.pdb -s /var/tmp/to_scwrl_625842976.seq -o /var/tmp/from_scwrl_625842976.pdb > /var/tmp/scwrl_625842976.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_625842976.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 T0379 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL4 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_672426151.pdb -s /var/tmp/to_scwrl_672426151.seq -o /var/tmp/from_scwrl_672426151.pdb > /var/tmp/scwrl_672426151.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_672426151.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 T0379 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL5 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_688776027.pdb -s /var/tmp/to_scwrl_688776027.seq -o /var/tmp/from_scwrl_688776027.pdb > /var/tmp/scwrl_688776027.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_688776027.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 197 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_2103640035.pdb -s /var/tmp/to_scwrl_2103640035.seq -o /var/tmp/from_scwrl_2103640035.pdb > /var/tmp/scwrl_2103640035.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2103640035.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 188 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1592045229.pdb -s /var/tmp/to_scwrl_1592045229.seq -o /var/tmp/from_scwrl_1592045229.pdb > /var/tmp/scwrl_1592045229.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1592045229.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 197 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1084677314.pdb -s /var/tmp/to_scwrl_1084677314.seq -o /var/tmp/from_scwrl_1084677314.pdb > /var/tmp/scwrl_1084677314.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1084677314.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 188 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_338390336.pdb -s /var/tmp/to_scwrl_338390336.seq -o /var/tmp/from_scwrl_338390336.pdb > /var/tmp/scwrl_338390336.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_338390336.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 205 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1729939185.pdb -s /var/tmp/to_scwrl_1729939185.seq -o /var/tmp/from_scwrl_1729939185.pdb > /var/tmp/scwrl_1729939185.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1729939185.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 204 # copying to AlignedFragments data structure # naming current conformation beautshot_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_2105446308.pdb -s /var/tmp/to_scwrl_2105446308.seq -o /var/tmp/from_scwrl_2105446308.pdb > /var/tmp/scwrl_2105446308.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2105446308.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 T0379 can't currently be optimized by undertaker # naming current conformation beautshotbase_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_23331211.pdb -s /var/tmp/to_scwrl_23331211.seq -o /var/tmp/from_scwrl_23331211.pdb > /var/tmp/scwrl_23331211.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_23331211.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 T0379 can't currently be optimized by undertaker # naming current conformation forecast-s_AL1 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1314425791.pdb -s /var/tmp/to_scwrl_1314425791.seq -o /var/tmp/from_scwrl_1314425791.pdb > /var/tmp/scwrl_1314425791.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1314425791.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 Skipped atom 766, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL2.pdb.gz Skipped atom 768, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL2.pdb.gz Skipped atom 770, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL2.pdb.gz Skipped atom 772, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL2.pdb.gz Skipped atom 774, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL2.pdb.gz Skipped atom 776, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL2.pdb.gz Skipped atom 778, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL2.pdb.gz Skipped atom 780, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL2.pdb.gz # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation forecast-s_AL2 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1281446342.pdb -s /var/tmp/to_scwrl_1281446342.seq -o /var/tmp/from_scwrl_1281446342.pdb > /var/tmp/scwrl_1281446342.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1281446342.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 T0379 can't currently be optimized by undertaker # naming current conformation forecast-s_AL3 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_537471314.pdb -s /var/tmp/to_scwrl_537471314.seq -o /var/tmp/from_scwrl_537471314.pdb > /var/tmp/scwrl_537471314.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_537471314.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 T0379 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation forecast-s_AL4 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_162266548.pdb -s /var/tmp/to_scwrl_162266548.seq -o /var/tmp/from_scwrl_162266548.pdb > /var/tmp/scwrl_162266548.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_162266548.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 T0379 can't currently be optimized by undertaker # naming current conformation forecast-s_AL5 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1240430155.pdb -s /var/tmp/to_scwrl_1240430155.seq -o /var/tmp/from_scwrl_1240430155.pdb > /var/tmp/scwrl_1240430155.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1240430155.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 199 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1634038024.pdb -s /var/tmp/to_scwrl_1634038024.seq -o /var/tmp/from_scwrl_1634038024.pdb > /var/tmp/scwrl_1634038024.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1634038024.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 196 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_930432553.pdb -s /var/tmp/to_scwrl_930432553.seq -o /var/tmp/from_scwrl_930432553.pdb > /var/tmp/scwrl_930432553.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_930432553.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 201 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1203585874.pdb -s /var/tmp/to_scwrl_1203585874.seq -o /var/tmp/from_scwrl_1203585874.pdb > /var/tmp/scwrl_1203585874.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1203585874.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 194 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_504291047.pdb -s /var/tmp/to_scwrl_504291047.seq -o /var/tmp/from_scwrl_504291047.pdb > /var/tmp/scwrl_504291047.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_504291047.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 206 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1360607710.pdb -s /var/tmp/to_scwrl_1360607710.seq -o /var/tmp/from_scwrl_1360607710.pdb > /var/tmp/scwrl_1360607710.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1360607710.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 WARNING: atoms too close: (T0379)E57.O and (T0379)E58.N only 0.000 apart, marking (T0379)E58.N as missing WARNING: atoms too close: (T0379)M119.O and (T0379)S120.N only 0.000 apart, marking (T0379)S120.N as missing # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1319643367.pdb -s /var/tmp/to_scwrl_1319643367.seq -o /var/tmp/from_scwrl_1319643367.pdb > /var/tmp/scwrl_1319643367.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1319643367.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 WARNING: atoms too close: (T0379)E86.O and (T0379)I87.N only 0.000 apart, marking (T0379)I87.N as missing # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_2048372565.pdb -s /var/tmp/to_scwrl_2048372565.seq -o /var/tmp/from_scwrl_2048372565.pdb > /var/tmp/scwrl_2048372565.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2048372565.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 205 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_482272601.pdb -s /var/tmp/to_scwrl_482272601.seq -o /var/tmp/from_scwrl_482272601.pdb > /var/tmp/scwrl_482272601.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_482272601.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS3-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS4.pdb.gz looking for model 1 WARNING: atoms too close: (T0379)E86.O and (T0379)I87.N only 0.000 apart, marking (T0379)I87.N as missing # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_759205169.pdb -s /var/tmp/to_scwrl_759205169.seq -o /var/tmp/from_scwrl_759205169.pdb > /var/tmp/scwrl_759205169.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_759205169.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS4-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS5.pdb.gz looking for model 1 WARNING: atoms too close: (T0379)N149.O and (T0379)E150.N only 0.000 apart, marking (T0379)E150.N as missing # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1273382565.pdb -s /var/tmp/to_scwrl_1273382565.seq -o /var/tmp/from_scwrl_1273382565.pdb > /var/tmp/scwrl_1273382565.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1273382565.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 196 # copying to AlignedFragments data structure # naming current conformation karypis.srv_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_269171925.pdb -s /var/tmp/to_scwrl_269171925.seq -o /var/tmp/from_scwrl_269171925.pdb > /var/tmp/scwrl_269171925.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_269171925.pdb # conformation set from SCWRL output # naming current conformation karypis.srv_TS1-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1388717142.pdb -s /var/tmp/to_scwrl_1388717142.seq -o /var/tmp/from_scwrl_1388717142.pdb > /var/tmp/scwrl_1388717142.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1388717142.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 T0379 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_291608181.pdb -s /var/tmp/to_scwrl_291608181.seq -o /var/tmp/from_scwrl_291608181.pdb > /var/tmp/scwrl_291608181.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_291608181.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 T0379 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1515611282.pdb -s /var/tmp/to_scwrl_1515611282.seq -o /var/tmp/from_scwrl_1515611282.pdb > /var/tmp/scwrl_1515611282.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1515611282.pdb # conformation set from SCWRL output # naming current conformation karypis.srv_TS5-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS1.pdb.gz looking for model 1 # naming current conformation keasar-server_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_101454157.pdb -s /var/tmp/to_scwrl_101454157.seq -o /var/tmp/from_scwrl_101454157.pdb > /var/tmp/scwrl_101454157.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_101454157.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS1-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS2.pdb.gz looking for model 1 # naming current conformation keasar-server_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1878519847.pdb -s /var/tmp/to_scwrl_1878519847.seq -o /var/tmp/from_scwrl_1878519847.pdb > /var/tmp/scwrl_1878519847.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1878519847.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS2-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS3.pdb.gz looking for model 1 # Found a chain break before 126 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_2141454258.pdb -s /var/tmp/to_scwrl_2141454258.seq -o /var/tmp/from_scwrl_2141454258.pdb > /var/tmp/scwrl_2141454258.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2141454258.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS3-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS4.pdb.gz looking for model 1 # naming current conformation keasar-server_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_773880309.pdb -s /var/tmp/to_scwrl_773880309.seq -o /var/tmp/from_scwrl_773880309.pdb > /var/tmp/scwrl_773880309.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_773880309.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS4-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS5.pdb.gz looking for model 1 # Found a chain break before 188 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_419812228.pdb -s /var/tmp/to_scwrl_419812228.seq -o /var/tmp/from_scwrl_419812228.pdb > /var/tmp/scwrl_419812228.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_419812228.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 T0379 can't currently be optimized by undertaker # naming current conformation mGen-3D_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_2097610646.pdb -s /var/tmp/to_scwrl_2097610646.seq -o /var/tmp/from_scwrl_2097610646.pdb > /var/tmp/scwrl_2097610646.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2097610646.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 T0379 can't currently be optimized by undertaker # naming current conformation nFOLD_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_218441891.pdb -s /var/tmp/to_scwrl_218441891.seq -o /var/tmp/from_scwrl_218441891.pdb > /var/tmp/scwrl_218441891.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_218441891.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 T0379 can't currently be optimized by undertaker # naming current conformation nFOLD_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1504489542.pdb -s /var/tmp/to_scwrl_1504489542.seq -o /var/tmp/from_scwrl_1504489542.pdb > /var/tmp/scwrl_1504489542.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1504489542.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 T0379 can't currently be optimized by undertaker # naming current conformation nFOLD_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_288517335.pdb -s /var/tmp/to_scwrl_288517335.seq -o /var/tmp/from_scwrl_288517335.pdb > /var/tmp/scwrl_288517335.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_288517335.pdb # conformation set from SCWRL output # naming current conformation nFOLD_TS3-scwrl # ReadConformPDB reading from PDB file servers/nFOLD_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation nFOLD_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1948381076.pdb -s /var/tmp/to_scwrl_1948381076.seq -o /var/tmp/from_scwrl_1948381076.pdb > /var/tmp/scwrl_1948381076.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1948381076.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 T0379 can't currently be optimized by undertaker # naming current conformation nFOLD_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1462452204.pdb -s /var/tmp/to_scwrl_1462452204.seq -o /var/tmp/from_scwrl_1462452204.pdb > /var/tmp/scwrl_1462452204.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1462452204.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: atoms too close: (T0379)E86.N and (T0379)N111.N only 0.000 apart, marking (T0379)N111.N as missing WARNING: atoms too close: (T0379)E86.CA and (T0379)N111.CA only 0.000 apart, marking (T0379)N111.CA as missing WARNING: atoms too close: (T0379)E86.CB and (T0379)N111.CB only 0.000 apart, marking (T0379)N111.CB as missing WARNING: atoms too close: (T0379)E86.CG and (T0379)N111.CG only 0.000 apart, marking (T0379)N111.CG as missing WARNING: atoms too close: (T0379)E86.O and (T0379)N111.O only 0.000 apart, marking (T0379)N111.O as missing WARNING: atoms too close: (T0379)E86.C and (T0379)N111.C only 0.000 apart, marking (T0379)N111.C as missing WARNING: atoms too close: (T0379)N111.N and (T0379)P112.N only 0.000 apart, marking (T0379)N111.N as missing WARNING: atoms too close: (T0379)E86.N and (T0379)P112.N only 0.000 apart, marking (T0379)P112.N as missing WARNING: atoms too close: (T0379)N111.CA and (T0379)P112.CA only 0.000 apart, marking (T0379)P112.CA as missing WARNING: atoms too close: (T0379)E86.CA and (T0379)P112.CA only 0.000 apart, marking (T0379)P112.CA as missing WARNING: atoms too close: (T0379)N111.CB and (T0379)P112.CB only 0.000 apart, marking (T0379)P112.CB as missing WARNING: atoms too close: (T0379)E86.CB and (T0379)P112.CB only 0.000 apart, marking (T0379)P112.CB as missing WARNING: atoms too close: (T0379)N111.O and (T0379)P112.O only 0.000 apart, marking (T0379)P112.O as missing WARNING: atoms too close: (T0379)E86.O and (T0379)P112.O only 0.000 apart, marking (T0379)P112.O as missing WARNING: atoms too close: (T0379)N111.C and (T0379)P112.C only 0.000 apart, marking (T0379)P112.C as missing WARNING: atoms too close: (T0379)E86.C and (T0379)P112.C only 0.000 apart, marking (T0379)P112.C as missing # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation panther2_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_311848546.pdb -s /var/tmp/to_scwrl_311848546.seq -o /var/tmp/from_scwrl_311848546.pdb > /var/tmp/scwrl_311848546.log Error: Couldn't open file /var/tmp/from_scwrl_311848546.pdb or /var/tmp/from_scwrl_311848546.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_311848546_b.pdb or decoys//var/tmp/from_scwrl_311848546_b.pdb.gz for input Trying /var/tmp/from_scwrl_311848546_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_311848546_b.pdb or /var/tmp/from_scwrl_311848546_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_311848546_a.pdb or decoys//var/tmp/from_scwrl_311848546_a.pdb.gz for input Trying /var/tmp/from_scwrl_311848546_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_311848546_a.pdb or /var/tmp/from_scwrl_311848546_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_311848546.pdb or /var/tmp/from_scwrl_311848546_b.pdb or /var/tmp/from_scwrl_311848546_a.pdb Error: no new SCWRL conformation added # naming current conformation panther2_TS1-scwrl # ReadConformPDB reading from PDB file servers/shub_TS1.pdb.gz looking for model 1 # Found a chain break before 205 # copying to AlignedFragments data structure # naming current conformation shub_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1115323220.pdb -s /var/tmp/to_scwrl_1115323220.seq -o /var/tmp/from_scwrl_1115323220.pdb > /var/tmp/scwrl_1115323220.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1115323220.pdb # conformation set from SCWRL output # naming current conformation shub_TS1-scwrl # command:CPU_time= 135.273 sec, elapsed time= 546.42 sec) # command:# Prefix for output files set to decoys/ # command:# Will now start reporting costs to decoys/evaluate_2.rdb # command:# CostConform Warning: Couldn't open file decoys//projects/compbio/experiments/undertaker/spots/near-backbone-center.spot or decoys//projects/compbio/experiments/undertaker/spots/near-backbone-center.spot.gz for input Trying /projects/compbio/experiments/undertaker/spots/near-backbone-center.spot # Reading spots from /projects/compbio/experiments/undertaker/spots/near-backbone-center.spot shub_TS1-scwrl costs 0 real_cost = -23.949 shub_TS1 costs 0 real_cost = -13.135 panther2_TS1-scwrl costs 0 real_cost = 71.3115 nFOLD_TS5-scwrl costs 0 real_cost = 219.091 nFOLD_TS5 costs 0 real_cost = 322.06 nFOLD_TS4-scwrl costs 0 real_cost = 200.422 nFOLD_TS4 costs 0 real_cost = 293.251 nFOLD_TS3-scwrl costs 0 real_cost = 139.646 nFOLD_TS3 costs 0 real_cost = 249.748 nFOLD_TS2-scwrl costs 0 real_cost = 77.9254 nFOLD_TS2 costs 0 real_cost = 198.502 nFOLD_TS1-scwrl costs 0 real_cost = -76.0876 nFOLD_TS1 costs 0 real_cost = 53.5016 mGen-3D_TS1-scwrl costs 0 real_cost = -86.2876 mGen-3D_TS1 costs 0 real_cost = 43.7016 keasar-server_TS5-scwrl costs 0 real_cost = 106.787 keasar-server_TS5 costs 0 real_cost = 111.519 keasar-server_TS4-scwrl costs 0 real_cost = -94.1099 keasar-server_TS4 costs 0 real_cost = -87.116 keasar-server_TS3-scwrl costs 0 real_cost = 94.937 keasar-server_TS3 costs 0 real_cost = 87.6905 keasar-server_TS2-scwrl costs 0 real_cost = -79.2568 keasar-server_TS2 costs 0 real_cost = -75.7215 keasar-server_TS1-scwrl costs 0 real_cost = 91.6611 keasar-server_TS1 costs 0 real_cost = 82.6951 karypis.srv_TS5-scwrl costs 0 real_cost = 102.396 karypis.srv_TS5 costs 0 real_cost = 100.251 karypis.srv_TS4-scwrl costs 0 real_cost = 123.132 karypis.srv_TS4 costs 0 real_cost = 123.132 karypis.srv_TS3-scwrl costs 0 real_cost = 90.2189 karypis.srv_TS3 costs 0 real_cost = 90.0794 karypis.srv_TS1-scwrl costs 0 real_cost = 116.3 karypis.srv_TS1 costs 0 real_cost = 117.662 karypis.srv.4_TS5-scwrl costs 0 real_cost = 232.537 karypis.srv.4_TS5 costs 0 real_cost = 232.536 karypis.srv.4_TS4-scwrl costs 0 real_cost = 149.92 karypis.srv.4_TS4 costs 0 real_cost = 148.502 karypis.srv.4_TS3-scwrl costs 0 real_cost = 196.919 karypis.srv.4_TS3 costs 0 real_cost = 199.435 karypis.srv.4_TS2-scwrl costs 0 real_cost = 203.073 karypis.srv.4_TS2 costs 0 real_cost = 203.101 karypis.srv.4_TS1-scwrl costs 0 real_cost = 295.173 karypis.srv.4_TS1 costs 0 real_cost = 306.94 karypis.srv.2_TS5-scwrl costs 0 real_cost = 40.6904 karypis.srv.2_TS5 costs 0 real_cost = 37.6218 karypis.srv.2_TS4-scwrl costs 0 real_cost = 39.9793 karypis.srv.2_TS4 costs 0 real_cost = 39.9793 karypis.srv.2_TS3-scwrl costs 0 real_cost = 176.484 karypis.srv.2_TS3 costs 0 real_cost = 171.797 karypis.srv.2_TS2-scwrl costs 0 real_cost = 63.0159 karypis.srv.2_TS2 costs 0 real_cost = 53.4769 karypis.srv.2_TS1-scwrl costs 0 real_cost = 53.0827 karypis.srv.2_TS1 costs 0 real_cost = 52.9082 forecast-s_AL5-scwrl costs 0 real_cost = 108.246 forecast-s_AL5 costs 0 real_cost = 264.884 forecast-s_AL4-scwrl costs 0 real_cost = 61.3935 forecast-s_AL4 costs 0 real_cost = 219.419 forecast-s_AL3-scwrl costs 0 real_cost = 169.717 forecast-s_AL3 costs 0 real_cost = 318.633 forecast-s_AL2-scwrl costs 0 real_cost = 113.727 forecast-s_AL2 costs 0 real_cost = 263.559 forecast-s_AL1-scwrl costs 0 real_cost = 118.283 forecast-s_AL1 costs 0 real_cost = 263.33 beautshotbase_TS1-scwrl costs 0 real_cost = -101.177 beautshotbase_TS1 costs 0 real_cost = -99.3876 beautshot_TS1-scwrl costs 0 real_cost = -2.14516 beautshot_TS1 costs 0 real_cost = -4.05527 Zhang-Server_TS5-scwrl costs 0 real_cost = -113.168 Zhang-Server_TS5 costs 0 real_cost = -109.869 Zhang-Server_TS4-scwrl costs 0 real_cost = -117.473 Zhang-Server_TS4 costs 0 real_cost = -115.66 Zhang-Server_TS3-scwrl costs 0 real_cost = -125.507 Zhang-Server_TS3 costs 0 real_cost = -122.844 Zhang-Server_TS2-scwrl costs 0 real_cost = -126.985 Zhang-Server_TS2 costs 0 real_cost = -130.842 Zhang-Server_TS1-scwrl costs 0 real_cost = -115.579 Zhang-Server_TS1 costs 0 real_cost = -115.621 UNI-EID_sfst_AL5-scwrl costs 0 real_cost = 60.5216 UNI-EID_sfst_AL5 costs 0 real_cost = 197.271 UNI-EID_sfst_AL4-scwrl costs 0 real_cost = 92.2326 UNI-EID_sfst_AL4 costs 0 real_cost = 227.116 UNI-EID_sfst_AL3-scwrl costs 0 real_cost = 34.7047 UNI-EID_sfst_AL3 costs 0 real_cost = 182.735 UNI-EID_sfst_AL2-scwrl costs 0 real_cost = 87.0861 UNI-EID_sfst_AL2 costs 0 real_cost = 219.091 UNI-EID_sfst_AL1-scwrl costs 0 real_cost = -71.8876 UNI-EID_sfst_AL1 costs 0 real_cost = 90.6157 UNI-EID_expm_TS1-scwrl costs 0 real_cost = 28.77 UNI-EID_expm_TS1 costs 0 real_cost = 28.7833 UNI-EID_bnmx_TS5-scwrl costs 0 real_cost = 102.028 UNI-EID_bnmx_TS5 costs 0 real_cost = 257.627 UNI-EID_bnmx_TS4-scwrl costs 0 real_cost = 82.8649 UNI-EID_bnmx_TS4 costs 0 real_cost = 223.116 UNI-EID_bnmx_TS3-scwrl costs 0 real_cost = 48.0505 UNI-EID_bnmx_TS3 costs 0 real_cost = 198.661 UNI-EID_bnmx_TS2-scwrl costs 0 real_cost = 79.5176 UNI-EID_bnmx_TS2 costs 0 real_cost = 215.891 UNI-EID_bnmx_TS1-scwrl costs 0 real_cost = -71.8876 UNI-EID_bnmx_TS1 costs 0 real_cost = 90.6157 SPARKS2_TS5-scwrl costs 0 real_cost = -32.5297 SPARKS2_TS5 costs 0 real_cost = -33.1244 SPARKS2_TS4-scwrl costs 0 real_cost = 108.145 SPARKS2_TS4 costs 0 real_cost = 113.779 SPARKS2_TS3-scwrl costs 0 real_cost = 144.777 SPARKS2_TS3 costs 0 real_cost = 144.208 SPARKS2_TS2-scwrl costs 0 real_cost = 76.2182 SPARKS2_TS2 costs 0 real_cost = 83.7136 SPARKS2_TS1-scwrl costs 0 real_cost = -125.092 SPARKS2_TS1 costs 0 real_cost = -97.5616 SP4_TS5-scwrl costs 0 real_cost = 63.9325 SP4_TS5 costs 0 real_cost = 63.8852 SP4_TS4-scwrl costs 0 real_cost = -32.1663 SP4_TS4 costs 0 real_cost = -27.224 SP4_TS3-scwrl costs 0 real_cost = 2.25098 SP4_TS3 costs 0 real_cost = 17.3434 SP4_TS2-scwrl costs 0 real_cost = 20.3086 SP4_TS2 costs 0 real_cost = 24.2425 SP4_TS1-scwrl costs 0 real_cost = -114.082 SP4_TS1 costs 0 real_cost = -100.895 SP3_TS5-scwrl costs 0 real_cost = 87.732 SP3_TS5 costs 0 real_cost = 78.5955 SP3_TS4-scwrl costs 0 real_cost = -32.1663 SP3_TS4 costs 0 real_cost = -27.224 SP3_TS3-scwrl costs 0 real_cost = -32.4657 SP3_TS3 costs 0 real_cost = -26.1291 SP3_TS2-scwrl costs 0 real_cost = 53.9585 SP3_TS2 costs 0 real_cost = 60.7099 SP3_TS1-scwrl costs 0 real_cost = -114.685 SP3_TS1 costs 0 real_cost = -102.532 SAM_T06_server_TS5-scwrl costs 0 real_cost = 205.45 SAM_T06_server_TS5 costs 0 real_cost = 180.367 SAM_T06_server_TS4-scwrl costs 0 real_cost = 204.456 SAM_T06_server_TS4 costs 0 real_cost = 186.974 SAM_T06_server_TS3-scwrl costs 0 real_cost = 250.807 SAM_T06_server_TS3 costs 0 real_cost = 224.607 SAM_T06_server_TS2-scwrl costs 0 real_cost = 238.655 SAM_T06_server_TS2 costs 0 real_cost = 201.898 SAM_T06_server_TS1-scwrl costs 0 real_cost = 128.211 SAM_T06_server_TS1 costs 0 real_cost = 128.403 SAM-T99_AL5-scwrl costs 0 real_cost = 86.0861 SAM-T99_AL5 costs 0 real_cost = 225.013 SAM-T99_AL4-scwrl costs 0 real_cost = 72.9583 SAM-T99_AL4 costs 0 real_cost = 212.242 SAM-T99_AL3-scwrl costs 0 real_cost = -60.2876 SAM-T99_AL3 costs 0 real_cost = 94.6157 SAM-T99_AL2-scwrl costs 0 real_cost = 37.6379 SAM-T99_AL2 costs 0 real_cost = 187.173 SAM-T99_AL1-scwrl costs 0 real_cost = 63.2682 SAM-T99_AL1 costs 0 real_cost = 199.766 SAM-T02_AL5-scwrl costs 0 real_cost = 159.278 SAM-T02_AL5 costs 0 real_cost = 301.375 SAM-T02_AL4-scwrl costs 0 real_cost = 217.041 SAM-T02_AL4 costs 0 real_cost = 338.807 SAM-T02_AL3-scwrl costs 0 real_cost = 177.414 SAM-T02_AL3 costs 0 real_cost = 299.231 SAM-T02_AL2-scwrl costs 0 real_cost = 119.306 SAM-T02_AL2 costs 0 real_cost = 259.736 SAM-T02_AL1-scwrl costs 0 real_cost = -72.8876 SAM-T02_AL1 costs 0 real_cost = 84.6157 ROKKY_TS5-scwrl costs 0 real_cost = 41.7327 ROKKY_TS5 costs 0 real_cost = 45.2508 ROKKY_TS4-scwrl costs 0 real_cost = 27.3467 ROKKY_TS4 costs 0 real_cost = 37.9429 ROKKY_TS3-scwrl costs 0 real_cost = 48.5957 ROKKY_TS3 costs 0 real_cost = 50.0022 ROKKY_TS2-scwrl costs 0 real_cost = 167.58 ROKKY_TS2 costs 0 real_cost = 171.29 ROKKY_TS1-scwrl costs 0 real_cost = -120.346 ROKKY_TS1 costs 0 real_cost = -106.437 ROBETTA_TS5-scwrl costs 0 real_cost = -109.158 ROBETTA_TS5 costs 0 real_cost = -103.92 ROBETTA_TS4-scwrl costs 0 real_cost = -107.176 ROBETTA_TS4 costs 0 real_cost = -105.465 ROBETTA_TS3-scwrl costs 0 real_cost = -107.117 ROBETTA_TS3 costs 0 real_cost = -103.874 ROBETTA_TS2-scwrl costs 0 real_cost = -105.019 ROBETTA_TS2 costs 0 real_cost = -104.988 ROBETTA_TS1-scwrl costs 0 real_cost = -106.964 ROBETTA_TS1 costs 0 real_cost = -106.312 RAPTOR_TS5-scwrl costs 0 real_cost = 91.6544 RAPTOR_TS5 costs 0 real_cost = 96.7845 RAPTOR_TS4-scwrl costs 0 real_cost = 88.9927 RAPTOR_TS4 costs 0 real_cost = 90.2697 RAPTOR_TS3-scwrl costs 0 real_cost = 44.3914 RAPTOR_TS3 costs 0 real_cost = 65.3298 RAPTOR_TS2-scwrl costs 0 real_cost = -24.1922 RAPTOR_TS2 costs 0 real_cost = -11.6408 RAPTOR_TS1-scwrl costs 0 real_cost = 65.3849 RAPTOR_TS1 costs 0 real_cost = 62.061 RAPTORESS_TS5-scwrl costs 0 real_cost = 92.59 RAPTORESS_TS5 costs 0 real_cost = 94.2765 RAPTORESS_TS4-scwrl costs 0 real_cost = 105.34 RAPTORESS_TS4 costs 0 real_cost = 110.093 RAPTORESS_TS3-scwrl costs 0 real_cost = 64.3084 RAPTORESS_TS3 costs 0 real_cost = 73.2846 RAPTORESS_TS2-scwrl costs 0 real_cost = -7.52692 RAPTORESS_TS2 costs 0 real_cost = 2.75404 RAPTORESS_TS1-scwrl costs 0 real_cost = 66.9371 RAPTORESS_TS1 costs 0 real_cost = 73.2139 RAPTOR-ACE_TS5-scwrl costs 0 real_cost = 84.5352 RAPTOR-ACE_TS5 costs 0 real_cost = 100.717 RAPTOR-ACE_TS4-scwrl costs 0 real_cost = -117.891 RAPTOR-ACE_TS4 costs 0 real_cost = -105 RAPTOR-ACE_TS3-scwrl costs 0 real_cost = -123.057 RAPTOR-ACE_TS3 costs 0 real_cost = -100.537 RAPTOR-ACE_TS2-scwrl costs 0 real_cost = -118.741 RAPTOR-ACE_TS2 costs 0 real_cost = -106.749 RAPTOR-ACE_TS1-scwrl costs 0 real_cost = -126.522 RAPTOR-ACE_TS1 costs 0 real_cost = -97.0803 Pmodeller6_TS5-scwrl costs 0 real_cost = 135.734 Pmodeller6_TS5 costs 0 real_cost = 132.692 Pmodeller6_TS4-scwrl costs 0 real_cost = 6.53531 Pmodeller6_TS4 costs 0 real_cost = 1.96401 Pmodeller6_TS3-scwrl costs 0 real_cost = -98.9367 Pmodeller6_TS3 costs 0 real_cost = -101.139 Pmodeller6_TS2-scwrl costs 0 real_cost = -109.158 Pmodeller6_TS2 costs 0 real_cost = -103.92 Pmodeller6_TS1-scwrl costs 0 real_cost = -107.176 Pmodeller6_TS1 costs 0 real_cost = -105.465 Phyre-2_TS5-scwrl costs 0 real_cost = 80.2652 Phyre-2_TS5 costs 0 real_cost = 81.5616 Phyre-2_TS4-scwrl costs 0 real_cost = 73.4652 Phyre-2_TS4 costs 0 real_cost = 73.5924 Phyre-2_TS3-scwrl costs 0 real_cost = 104.979 Phyre-2_TS3 costs 0 real_cost = 104.147 Phyre-2_TS2-scwrl costs 0 real_cost = 97.865 Phyre-2_TS2 costs 0 real_cost = 103.78 Phyre-2_TS1-scwrl costs 0 real_cost = -100.288 Phyre-2_TS1 costs 0 real_cost = -94.8376 Phyre-1_TS1-scwrl costs 0 real_cost = 48.3851 Phyre-1_TS1 costs 0 real_cost = 42.2526 Pcons6_TS5-scwrl costs 0 real_cost = -52.85 Pcons6_TS5 costs 0 real_cost = -55.3933 Pcons6_TS4-scwrl costs 0 real_cost = 121.721 Pcons6_TS4 costs 0 real_cost = 118.488 Pcons6_TS3-scwrl costs 0 real_cost = -90.1835 Pcons6_TS3 costs 0 real_cost = -93.3048 Pcons6_TS2-scwrl costs 0 real_cost = -103.142 Pcons6_TS2 costs 0 real_cost = -104.006 Pcons6_TS1-scwrl costs 0 real_cost = -106.618 Pcons6_TS1 costs 0 real_cost = -107.832 PROTINFO_TS5-scwrl costs 0 real_cost = -94.6558 PROTINFO_TS5 costs 0 real_cost = -95.3352 PROTINFO_TS4-scwrl costs 0 real_cost = 140.85 PROTINFO_TS4 costs 0 real_cost = 147.701 PROTINFO_TS3-scwrl costs 0 real_cost = 92.6994 PROTINFO_TS3 costs 0 real_cost = 85.6213 PROTINFO_TS2-scwrl costs 0 real_cost = 73.1816 PROTINFO_TS2 costs 0 real_cost = 71.194 PROTINFO_TS1-scwrl costs 0 real_cost = -50.4798 PROTINFO_TS1 costs 0 real_cost = -42.5719 PROTINFO-AB_TS5-scwrl costs 0 real_cost = 140.85 PROTINFO-AB_TS5 costs 0 real_cost = 147.701 PROTINFO-AB_TS4-scwrl costs 0 real_cost = -47.9371 PROTINFO-AB_TS4 costs 0 real_cost = -42.6462 PROTINFO-AB_TS3-scwrl costs 0 real_cost = -49.1896 PROTINFO-AB_TS3 costs 0 real_cost = -43.3292 PROTINFO-AB_TS2-scwrl costs 0 real_cost = -50.3177 PROTINFO-AB_TS2 costs 0 real_cost = -43.4951 PROTINFO-AB_TS1-scwrl costs 0 real_cost = -49.7001 PROTINFO-AB_TS1 costs 0 real_cost = -44.0431 NN_PUT_lab_TS1-scwrl costs 0 real_cost = -92.4621 NN_PUT_lab_TS1 costs 0 real_cost = -90.6297 MetaTasser_TS5-scwrl costs 0 real_cost = -17.2315 MetaTasser_TS5 costs 0 real_cost = -9.64382 MetaTasser_TS4-scwrl costs 0 real_cost = 42.2983 MetaTasser_TS4 costs 0 real_cost = 35.7398 MetaTasser_TS3-scwrl costs 0 real_cost = -71.4716 MetaTasser_TS3 costs 0 real_cost = -61.4621 MetaTasser_TS2-scwrl costs 0 real_cost = -75.7708 MetaTasser_TS2 costs 0 real_cost = -72.7319 MetaTasser_TS1-scwrl costs 0 real_cost = -73.3635 MetaTasser_TS1 costs 0 real_cost = -68.7225 Ma-OPUS-server_TS5-scwrl costs 0 real_cost = 82.5866 Ma-OPUS-server_TS5 costs 0 real_cost = 77.0053 Ma-OPUS-server_TS4-scwrl costs 0 real_cost = 63.559 Ma-OPUS-server_TS4 costs 0 real_cost = 61.465 Ma-OPUS-server_TS3-scwrl costs 0 real_cost = 1.6514 Ma-OPUS-server_TS3 costs 0 real_cost = 1.87738 Ma-OPUS-server_TS2-scwrl costs 0 real_cost = -119.547 Ma-OPUS-server_TS2 costs 0 real_cost = -100.82 Ma-OPUS-server_TS1-scwrl costs 0 real_cost = -121.31 Ma-OPUS-server_TS1 costs 0 real_cost = -100.582 Ma-OPUS-server2_TS5-scwrl costs 0 real_cost = -11.987 Ma-OPUS-server2_TS5 costs 0 real_cost = -4.16268 Ma-OPUS-server2_TS4-scwrl costs 0 real_cost = 9.33131 Ma-OPUS-server2_TS4 costs 0 real_cost = 5.32936 Ma-OPUS-server2_TS3-scwrl costs 0 real_cost = -119.547 Ma-OPUS-server2_TS3 costs 0 real_cost = -100.82 Ma-OPUS-server2_TS2-scwrl costs 0 real_cost = 13.5117 Ma-OPUS-server2_TS2 costs 0 real_cost = 20.1991 Ma-OPUS-server2_TS1-scwrl costs 0 real_cost = -121.987 Ma-OPUS-server2_TS1 costs 0 real_cost = -102.689 MIG_FROST_AL1-scwrl costs 0 real_cost = 458.458 MIG_FROST_AL1 costs 0 real_cost = 421.351 LOOPP_TS5-scwrl costs 0 real_cost = 44.5019 LOOPP_TS5 costs 0 real_cost = 45.5424 LOOPP_TS4-scwrl costs 0 real_cost = 25.1081 LOOPP_TS4 costs 0 real_cost = 20.9233 LOOPP_TS3-scwrl costs 0 real_cost = 44.3491 LOOPP_TS3 costs 0 real_cost = 45.8917 LOOPP_TS2-scwrl costs 0 real_cost = 27.3127 LOOPP_TS2 costs 0 real_cost = 22.2694 LOOPP_TS1-scwrl costs 0 real_cost = -92.4621 LOOPP_TS1 costs 0 real_cost = -90.6297 Huber-Torda-Server_TS5-scwrl costs 0 real_cost = 65.6192 Huber-Torda-Server_TS5 costs 0 real_cost = 160.754 Huber-Torda-Server_TS4-scwrl costs 0 real_cost = 134.807 Huber-Torda-Server_TS4 costs 0 real_cost = 219.923 Huber-Torda-Server_TS3-scwrl costs 0 real_cost = 265.004 Huber-Torda-Server_TS3 costs 0 real_cost = 324.93 Huber-Torda-Server_TS2-scwrl costs 0 real_cost = 70.2504 Huber-Torda-Server_TS2 costs 0 real_cost = 159.063 Huber-Torda-Server_TS1-scwrl costs 0 real_cost = -54.2727 Huber-Torda-Server_TS1 costs 0 real_cost = 50.8104 HHpred3_TS1-scwrl costs 0 real_cost = 96.9238 HHpred3_TS1 costs 0 real_cost = 112.966 HHpred2_TS1-scwrl costs 0 real_cost = 84.0773 HHpred2_TS1 costs 0 real_cost = 97.7272 HHpred1_TS1-scwrl costs 0 real_cost = -113.104 HHpred1_TS1 costs 0 real_cost = -99.1963 GeneSilicoMetaServer_TS5-scwrl costs 0 real_cost = -109.446 GeneSilicoMetaServer_TS5 costs 0 real_cost = -92.9192 GeneSilicoMetaServer_TS4-scwrl costs 0 real_cost = -114.363 GeneSilicoMetaServer_TS4 costs 0 real_cost = -97.8176 GeneSilicoMetaServer_TS2-scwrl costs 0 real_cost = -112.826 GeneSilicoMetaServer_TS2 costs 0 real_cost = -96.7504 GeneSilicoMetaServer_TS1-scwrl costs 0 real_cost = -116.73 GeneSilicoMetaServer_TS1 costs 0 real_cost = -107.95 Frankenstein_TS5-scwrl costs 0 real_cost = 255.527 Frankenstein_TS5 costs 0 real_cost = 262.994 Frankenstein_TS4-scwrl costs 0 real_cost = 259.312 Frankenstein_TS4 costs 0 real_cost = 268.678 Frankenstein_TS3-scwrl costs 0 real_cost = 178.886 Frankenstein_TS3 costs 0 real_cost = 177.274 Frankenstein_TS2-scwrl costs 0 real_cost = 150.171 Frankenstein_TS2 costs 0 real_cost = 151.316 Frankenstein_TS1-scwrl costs 0 real_cost = 183.693 Frankenstein_TS1 costs 0 real_cost = 184.523 FUNCTION_TS5-scwrl costs 0 real_cost = 96.84 FUNCTION_TS5 costs 0 real_cost = 109.548 FUNCTION_TS4-scwrl costs 0 real_cost = -81.5662 FUNCTION_TS4 costs 0 real_cost = -79.2972 FUNCTION_TS3-scwrl costs 0 real_cost = -2.04544 FUNCTION_TS3 costs 0 real_cost = 12.7126 FUNCTION_TS2-scwrl costs 0 real_cost = -89.7289 FUNCTION_TS2 costs 0 real_cost = -82.3296 FUNCTION_TS1-scwrl costs 0 real_cost = 42.8333 FUNCTION_TS1 costs 0 real_cost = 36.4357 FUGUE_AL5-scwrl costs 0 real_cost = 148.194 FUGUE_AL5 costs 0 real_cost = 291.453 FUGUE_AL4-scwrl costs 0 real_cost = 222.371 FUGUE_AL4 costs 0 real_cost = 357.842 FUGUE_AL3-scwrl costs 0 real_cost = 105.878 FUGUE_AL3 costs 0 real_cost = 245.715 FUGUE_AL2-scwrl costs 0 real_cost = 156.064 FUGUE_AL2 costs 0 real_cost = 309.777 FUGUE_AL1-scwrl costs 0 real_cost = -85.6876 FUGUE_AL1 costs 0 real_cost = 79.8157 FUGMOD_TS5-scwrl costs 0 real_cost = 122.04 FUGMOD_TS5 costs 0 real_cost = 125.225 FUGMOD_TS4-scwrl costs 0 real_cost = 195.734 FUGMOD_TS4 costs 0 real_cost = 193.231 FUGMOD_TS3-scwrl costs 0 real_cost = 92.3108 FUGMOD_TS3 costs 0 real_cost = 96.7653 FUGMOD_TS2-scwrl costs 0 real_cost = 133.038 FUGMOD_TS2 costs 0 real_cost = 131.995 FUGMOD_TS1-scwrl costs 0 real_cost = -112.077 FUGMOD_TS1 costs 0 real_cost = -101.758 FPSOLVER-SERVER_TS5-scwrl costs 0 real_cost = 245.382 FPSOLVER-SERVER_TS5 costs 0 real_cost = 250.862 FPSOLVER-SERVER_TS4-scwrl costs 0 real_cost = 283.679 FPSOLVER-SERVER_TS4 costs 0 real_cost = 284.457 FPSOLVER-SERVER_TS3-scwrl costs 0 real_cost = 165.575 FPSOLVER-SERVER_TS3 costs 0 real_cost = 170.611 FPSOLVER-SERVER_TS2-scwrl costs 0 real_cost = 160.469 FPSOLVER-SERVER_TS2 costs 0 real_cost = 168.141 FPSOLVER-SERVER_TS1-scwrl costs 0 real_cost = 242.192 FPSOLVER-SERVER_TS1 costs 0 real_cost = 246.464 FORTE2_AL5-scwrl costs 0 real_cost = 203.393 FORTE2_AL5 costs 0 real_cost = 345.281 FORTE2_AL4-scwrl costs 0 real_cost = 302.018 FORTE2_AL4 costs 0 real_cost = 466.408 FORTE2_AL3-scwrl costs 0 real_cost = 187.274 FORTE2_AL3 costs 0 real_cost = 334.409 FORTE2_AL2-scwrl costs 0 real_cost = 139.892 FORTE2_AL2 costs 0 real_cost = 294.202 FORTE2_AL1-scwrl costs 0 real_cost = 190.919 FORTE2_AL1 costs 0 real_cost = 325.299 FORTE1_AL5-scwrl costs 0 real_cost = 187.274 FORTE1_AL5 costs 0 real_cost = 334.409 FORTE1_AL4-scwrl costs 0 real_cost = 302.018 FORTE1_AL4 costs 0 real_cost = 466.408 FORTE1_AL3-scwrl costs 0 real_cost = 132.127 FORTE1_AL3 costs 0 real_cost = 280.806 FORTE1_AL2-scwrl costs 0 real_cost = 190.919 FORTE1_AL2 costs 0 real_cost = 325.299 FORTE1_AL1-scwrl costs 0 real_cost = 117.319 FORTE1_AL1 costs 0 real_cost = 270.338 FOLDpro_TS5-scwrl costs 0 real_cost = 21.7265 FOLDpro_TS5 costs 0 real_cost = 19.3321 FOLDpro_TS4-scwrl costs 0 real_cost = 15.3987 FOLDpro_TS4 costs 0 real_cost = 6.39112 FOLDpro_TS3-scwrl costs 0 real_cost = -3.02872 FOLDpro_TS3 costs 0 real_cost = 2.84483 FOLDpro_TS2-scwrl costs 0 real_cost = -1.29977 FOLDpro_TS2 costs 0 real_cost = 6.42667 FOLDpro_TS1-scwrl costs 0 real_cost = -7.45763 FOLDpro_TS1 costs 0 real_cost = -2.24043 FAMS_TS5-scwrl costs 0 real_cost = 98.6386 FAMS_TS5 costs 0 real_cost = 101.484 FAMS_TS4-scwrl costs 0 real_cost = 50.0931 FAMS_TS4 costs 0 real_cost = 71.0448 FAMS_TS3-scwrl costs 0 real_cost = 159.304 FAMS_TS3 costs 0 real_cost = 163.636 FAMS_TS2-scwrl costs 0 real_cost = -72.7307 FAMS_TS2 costs 0 real_cost = -68.3734 FAMS_TS1-scwrl costs 0 real_cost = -91.973 FAMS_TS1 costs 0 real_cost = -97.5704 FAMSD_TS5-scwrl costs 0 real_cost = 75.3893 FAMSD_TS5 costs 0 real_cost = 94.2081 FAMSD_TS4-scwrl costs 0 real_cost = -78.4218 FAMSD_TS4 costs 0 real_cost = -62.791 FAMSD_TS3-scwrl costs 0 real_cost = -88.06 FAMSD_TS3 costs 0 real_cost = -70.549 FAMSD_TS2-scwrl costs 0 real_cost = -80.2918 FAMSD_TS2 costs 0 real_cost = -63.5303 FAMSD_TS1-scwrl costs 0 real_cost = -106.437 FAMSD_TS1 costs 0 real_cost = -83.8264 Distill_TS5-scwrl costs 0 real_cost = 356.082 Distill_TS4-scwrl costs 0 real_cost = 342.994 Distill_TS3-scwrl costs 0 real_cost = 340.847 Distill_TS2-scwrl costs 0 real_cost = 355.258 Distill_TS1-scwrl costs 0 real_cost = 361.841 CaspIta-FOX_TS5-scwrl costs 0 real_cost = 76.6656 CaspIta-FOX_TS5 costs 0 real_cost = 78.3404 CaspIta-FOX_TS4-scwrl costs 0 real_cost = 130.197 CaspIta-FOX_TS4 costs 0 real_cost = 130.956 CaspIta-FOX_TS3-scwrl costs 0 real_cost = 125.744 CaspIta-FOX_TS3 costs 0 real_cost = 124.714 CaspIta-FOX_TS2-scwrl costs 0 real_cost = 84.684 CaspIta-FOX_TS2 costs 0 real_cost = 81.1368 CaspIta-FOX_TS1-scwrl costs 0 real_cost = -96.2876 CaspIta-FOX_TS1 costs 0 real_cost = -94.9762 CPHmodels_TS1-scwrl costs 0 real_cost = -38.7042 CPHmodels_TS1 costs 0 real_cost = -37.1204 CIRCLE_TS5-scwrl costs 0 real_cost = 159.304 CIRCLE_TS5 costs 0 real_cost = 163.636 CIRCLE_TS4-scwrl costs 0 real_cost = -72.7307 CIRCLE_TS4 costs 0 real_cost = -68.3734 CIRCLE_TS3-scwrl costs 0 real_cost = 98.6386 CIRCLE_TS3 costs 0 real_cost = 101.484 CIRCLE_TS2-scwrl costs 0 real_cost = 91.6682 CIRCLE_TS2 costs 0 real_cost = 88.0357 CIRCLE_TS1-scwrl costs 0 real_cost = 50.0931 CIRCLE_TS1 costs 0 real_cost = 71.0448 Bilab-ENABLE_TS5-scwrl costs 0 real_cost = 28.5839 Bilab-ENABLE_TS5 costs 0 real_cost = 30.2336 Bilab-ENABLE_TS4-scwrl costs 0 real_cost = 36.1366 Bilab-ENABLE_TS4 costs 0 real_cost = 38.5704 Bilab-ENABLE_TS3-scwrl costs 0 real_cost = 85.7782 Bilab-ENABLE_TS3 costs 0 real_cost = 85.7814 Bilab-ENABLE_TS2-scwrl costs 0 real_cost = 154.823 Bilab-ENABLE_TS2 costs 0 real_cost = 155.201 Bilab-ENABLE_TS1-scwrl costs 0 real_cost = -120.458 Bilab-ENABLE_TS1 costs 0 real_cost = -117.512 BayesHH_TS1-scwrl costs 0 real_cost = 48.2085 BayesHH_TS1 costs 0 real_cost = 31.5969 ABIpro_TS5-scwrl costs 0 real_cost = 54.7257 ABIpro_TS5 costs 0 real_cost = 54.7293 ABIpro_TS4-scwrl costs 0 real_cost = 121.023 ABIpro_TS4 costs 0 real_cost = 119.104 ABIpro_TS3-scwrl costs 0 real_cost = 48.8913 ABIpro_TS3 costs 0 real_cost = 48.8913 ABIpro_TS2-scwrl costs 0 real_cost = 89.3769 ABIpro_TS2 costs 0 real_cost = 91.1395 ABIpro_TS1-scwrl costs 0 real_cost = 76.901 ABIpro_TS1 costs 0 real_cost = 81.8207 3Dpro_TS5-scwrl costs 0 real_cost = -10.7101 3Dpro_TS5 costs 0 real_cost = -6.72181 3Dpro_TS4-scwrl costs 0 real_cost = -4.0489 3Dpro_TS4 costs 0 real_cost = 3.18386 3Dpro_TS3-scwrl costs 0 real_cost = -14.1162 3Dpro_TS3 costs 0 real_cost = 4.84578 3Dpro_TS2-scwrl costs 0 real_cost = -11.5687 3Dpro_TS2 costs 0 real_cost = -7.20558 3Dpro_TS1-scwrl costs 0 real_cost = -33.0884 3Dpro_TS1 costs 0 real_cost = -20.3641 3D-JIGSAW_TS5-scwrl costs 0 real_cost = 124.379 3D-JIGSAW_TS5 costs 0 real_cost = 124.922 3D-JIGSAW_TS4-scwrl costs 0 real_cost = 131.193 3D-JIGSAW_TS4 costs 0 real_cost = 145.215 3D-JIGSAW_TS3-scwrl costs 0 real_cost = 117.462 3D-JIGSAW_TS3 costs 0 real_cost = 129.303 3D-JIGSAW_TS2-scwrl costs 0 real_cost = 122.121 3D-JIGSAW_TS2 costs 0 real_cost = 136.754 3D-JIGSAW_TS1-scwrl costs 0 real_cost = -45.1295 3D-JIGSAW_TS1 costs 0 real_cost = -54.2272 3D-JIGSAW_RECOM_TS5-scwrl costs 0 real_cost = 131.415 3D-JIGSAW_RECOM_TS5 costs 0 real_cost = 125.122 3D-JIGSAW_RECOM_TS4-scwrl costs 0 real_cost = 115.081 3D-JIGSAW_RECOM_TS4 costs 0 real_cost = 122.537 3D-JIGSAW_RECOM_TS3-scwrl costs 0 real_cost = 112.435 3D-JIGSAW_RECOM_TS3 costs 0 real_cost = 108.736 3D-JIGSAW_RECOM_TS2-scwrl costs 0 real_cost = 90.6682 3D-JIGSAW_RECOM_TS2 costs 0 real_cost = 103.13 3D-JIGSAW_RECOM_TS1-scwrl costs 0 real_cost = 93.7801 3D-JIGSAW_RECOM_TS1 costs 0 real_cost = 101.96 3D-JIGSAW_POPULUS_TS5-scwrl costs 0 real_cost = 137.389 3D-JIGSAW_POPULUS_TS5 costs 0 real_cost = 136.676 3D-JIGSAW_POPULUS_TS4-scwrl costs 0 real_cost = 115.048 3D-JIGSAW_POPULUS_TS4 costs 0 real_cost = 112.567 3D-JIGSAW_POPULUS_TS3-scwrl costs 0 real_cost = -26.0849 3D-JIGSAW_POPULUS_TS3 costs 0 real_cost = -33.4133 3D-JIGSAW_POPULUS_TS2-scwrl costs 0 real_cost = -30.0831 3D-JIGSAW_POPULUS_TS2 costs 0 real_cost = -37.5449 3D-JIGSAW_POPULUS_TS1-scwrl costs 0 real_cost = 103.353 3D-JIGSAW_POPULUS_TS1 costs 0 real_cost = 99.3914 T0379.try9-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 177.864 T0379.try9-opt2.pdb.gz costs 0 real_cost = 176.679 T0379.try9-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = 179.364 T0379.try9-opt2.gromacs0.pdb.gz costs 0 real_cost = 181.992 T0379.try9-opt1.pdb.gz costs 0 real_cost = 176.607 T0379.try9-opt1-scwrl.pdb.gz costs 0 real_cost = 175.216 T0379.try8-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 177.835 T0379.try8-opt2.pdb.gz costs 0 real_cost = 175.037 T0379.try8-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = 177.345 T0379.try8-opt2.gromacs0.pdb.gz costs 0 real_cost = 179.354 T0379.try8-opt1.pdb.gz costs 0 real_cost = 172.824 T0379.try8-opt1-scwrl.pdb.gz costs 0 real_cost = 173.054 T0379.try7-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 182.375 T0379.try7-opt2.pdb.gz costs 0 real_cost = 177.124 T0379.try7-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = 184.08 T0379.try7-opt2.gromacs0.pdb.gz costs 0 real_cost = 182.624 T0379.try7-opt1.pdb.gz costs 0 real_cost = 180.448 T0379.try7-opt1-scwrl.pdb.gz costs 0 real_cost = 179.486 T0379.try6-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 169.602 T0379.try6-opt2.pdb.gz costs 0 real_cost = 164.031 T0379.try6-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = 173.454 T0379.try6-opt2.gromacs0.pdb.gz costs 0 real_cost = 168.519 T0379.try6-opt1.pdb.gz costs 0 real_cost = 170.701 T0379.try6-opt1-scwrl.pdb.gz costs 0 real_cost = 170.902 T0379.try5-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 169.624 T0379.try5-opt2.pdb.gz costs 0 real_cost = 166.686 T0379.try5-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = 165.532 T0379.try5-opt2.gromacs0.pdb.gz costs 0 real_cost = 165.431 T0379.try5-opt1.pdb.gz costs 0 real_cost = 165.079 T0379.try5-opt1-scwrl.pdb.gz costs 0 real_cost = 167.394 T0379.try4-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 71.7084 T0379.try4-opt2.pdb.gz costs 0 real_cost = 68.5996 T0379.try4-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = 60.9178 T0379.try4-opt2.gromacs0.pdb.gz costs 0 real_cost = 62.7169 T0379.try4-opt1.pdb.gz costs 0 real_cost = 73.3045 T0379.try4-opt1-scwrl.pdb.gz costs 0 real_cost = 66.9613 T0379.try3-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -102.655 T0379.try3-opt2.pdb.gz costs 0 real_cost = -105.253 T0379.try3-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = -98.9907 T0379.try3-opt2.gromacs0.pdb.gz costs 0 real_cost = -106.437 T0379.try3-opt1.pdb.gz costs 0 real_cost = -101.406 T0379.try3-opt1-scwrl.pdb.gz costs 0 real_cost = -100.989 T0379.try29-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 155.146 T0379.try29-opt2.pdb.gz costs 0 real_cost = 156.152 T0379.try29-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = 156.039 T0379.try29-opt2.gromacs0.pdb.gz costs 0 real_cost = 157.934 T0379.try29-opt1.pdb.gz costs 0 real_cost = 152.731 T0379.try29-opt1-scwrl.pdb.gz costs 0 real_cost = 152.347 T0379.try28-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -114.594 T0379.try28-opt2.pdb.gz costs 0 real_cost = -113.829 T0379.try28-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = -120.699 T0379.try28-opt2.gromacs0.pdb.gz costs 0 real_cost = -119.178 T0379.try28-opt1.pdb.gz costs 0 real_cost = -114.861 T0379.try28-opt1-scwrl.pdb.gz costs 0 real_cost = -112.498 T0379.try27-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -112.63 T0379.try27-opt2.pdb.gz costs 0 real_cost = -114.9 T0379.try27-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = -115.511 T0379.try27-opt2.gromacs0.pdb.gz costs 0 real_cost = -115.301 T0379.try27-opt1.pdb.gz costs 0 real_cost = -114.063 T0379.try27-opt1-scwrl.pdb.gz costs 0 real_cost = -110.819 T0379.try26-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -114.305 T0379.try26-opt2.pdb.gz costs 0 real_cost = -113.987 T0379.try26-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = -110.335 T0379.try26-opt2.gromacs0.pdb.gz costs 0 real_cost = -117.051 T0379.try26-opt1.pdb.gz costs 0 real_cost = -115.332 T0379.try26-opt1-scwrl.pdb.gz costs 0 real_cost = -111.311 T0379.try25-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -116.32 T0379.try25-opt2.pdb.gz costs 0 real_cost = -115.264 T0379.try25-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = -114.512 T0379.try25-opt2.gromacs0.pdb.gz costs 0 real_cost = -110.623 T0379.try25-opt1.pdb.gz costs 0 real_cost = -114.885 T0379.try25-opt1-scwrl.pdb.gz costs 0 real_cost = -114.359 T0379.try24-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -113.059 T0379.try24-opt2.pdb.gz costs 0 real_cost = -114.076 T0379.try24-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = -116.595 T0379.try24-opt2.gromacs0.pdb.gz costs 0 real_cost = -110.888 T0379.try24-opt1.pdb.gz costs 0 real_cost = -114.535 T0379.try24-opt1-scwrl.pdb.gz costs 0 real_cost = -111.826 T0379.try23-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -116.286 T0379.try23-opt2.pdb.gz costs 0 real_cost = -117.166 T0379.try23-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = -113.946 T0379.try23-opt2.gromacs0.pdb.gz costs 0 real_cost = -116.527 T0379.try23-opt1.pdb.gz costs 0 real_cost = -111.751 T0379.try23-opt1-scwrl.pdb.gz costs 0 real_cost = -112.424 T0379.try22-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -117.365 T0379.try22-opt2.pdb.gz costs 0 real_cost = -115.251 T0379.try22-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = -115.17 T0379.try22-opt2.gromacs0.pdb.gz costs 0 real_cost = -113.185 T0379.try22-opt1.pdb.gz costs 0 real_cost = -114.472 T0379.try22-opt1-scwrl.pdb.gz costs 0 real_cost = -112.922 T0379.try21-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -111.84 T0379.try21-opt2.pdb.gz costs 0 real_cost = -115.226 T0379.try21-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = -113.16 T0379.try21-opt2.gromacs0.pdb.gz costs 0 real_cost = -113.084 T0379.try21-opt1.pdb.gz costs 0 real_cost = -113.778 T0379.try21-opt1-scwrl.pdb.gz costs 0 real_cost = -111.232 T0379.try20-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -112.484 T0379.try20-opt2.pdb.gz costs 0 real_cost = -113.111 T0379.try20-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = -110.229 T0379.try20-opt2.gromacs0.pdb.gz costs 0 real_cost = -104.736 T0379.try20-opt1.pdb.gz costs 0 real_cost = -112.134 T0379.try20-opt1-scwrl.pdb.gz costs 0 real_cost = -109.967 T0379.try2-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -114.922 T0379.try2-opt2.pdb.gz costs 0 real_cost = -108.594 T0379.try2-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = -108.648 T0379.try2-opt2.gromacs0.pdb.gz costs 0 real_cost = -107.436 T0379.try2-opt1.pdb.gz costs 0 real_cost = -108.92 T0379.try2-opt1-scwrl.pdb.gz costs 0 real_cost = -108.644 T0379.try19-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -117.981 T0379.try19-opt2.pdb.gz costs 0 real_cost = -118.161 T0379.try19-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = -116.588 T0379.try19-opt2.gromacs0.pdb.gz costs 0 real_cost = -116.812 T0379.try19-opt1.pdb.gz costs 0 real_cost = -111.671 T0379.try19-opt1-scwrl.pdb.gz costs 0 real_cost = -107.277 T0379.try18-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 179.397 T0379.try18-opt2.pdb.gz costs 0 real_cost = 176.172 T0379.try18-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = 177.433 T0379.try18-opt2.gromacs0.pdb.gz costs 0 real_cost = 180.384 T0379.try18-opt1.pdb.gz costs 0 real_cost = 176.592 T0379.try18-opt1-scwrl.pdb.gz costs 0 real_cost = 175.862 T0379.try17-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -104.222 T0379.try17-opt2.pdb.gz costs 0 real_cost = -112.753 T0379.try17-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = -102.477 T0379.try17-opt2.gromacs0.pdb.gz costs 0 real_cost = -109.007 T0379.try17-opt1.pdb.gz costs 0 real_cost = -113.019 T0379.try17-opt1-scwrl.pdb.gz costs 0 real_cost = -114.429 T0379.try16-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -111.013 T0379.try16-opt2.pdb.gz costs 0 real_cost = -113.713 T0379.try16-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = -108.679 T0379.try16-opt2.gromacs0.pdb.gz costs 0 real_cost = -108.295 T0379.try16-opt1.pdb.gz costs 0 real_cost = -114.511 T0379.try16-opt1-scwrl.pdb.gz costs 0 real_cost = -113.119 T0379.try15-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 178.543 T0379.try15-opt2.pdb.gz costs 0 real_cost = 177.886 T0379.try15-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = 175.721 T0379.try15-opt2.gromacs0.pdb.gz costs 0 real_cost = 181.097 T0379.try15-opt1.pdb.gz costs 0 real_cost = 177.362 T0379.try15-opt1-scwrl.pdb.gz costs 0 real_cost = 176.03 T0379.try14-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -106.356 T0379.try14-opt2.pdb.gz costs 0 real_cost = -109.973 T0379.try14-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = -116.06 T0379.try14-opt2.gromacs0.pdb.gz costs 0 real_cost = -113.483 T0379.try14-opt1.pdb.gz costs 0 real_cost = -109.056 T0379.try14-opt1-scwrl.pdb.gz costs 0 real_cost = -105.244 T0379.try13-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -106.209 T0379.try13-opt2.pdb.gz costs 0 real_cost = -109.715 T0379.try13-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = -114.878 T0379.try13-opt2.gromacs0.pdb.gz costs 0 real_cost = -114.302 T0379.try13-opt1.pdb.gz costs 0 real_cost = -107.427 T0379.try13-opt1-scwrl.pdb.gz costs 0 real_cost = -103.615 T0379.try12-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -98.2851 T0379.try12-opt2.pdb.gz costs 0 real_cost = -101.88 T0379.try12-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = -94.0885 T0379.try12-opt2.gromacs0.pdb.gz costs 0 real_cost = -99.5779 T0379.try12-opt1.pdb.gz costs 0 real_cost = -100.277 T0379.try12-opt1-scwrl.pdb.gz costs 0 real_cost = -102.525 T0379.try11-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -107.325 T0379.try11-opt2.pdb.gz costs 0 real_cost = -107.321 T0379.try11-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = -106.63 T0379.try11-opt2.gromacs0.pdb.gz costs 0 real_cost = -108.555 T0379.try11-opt1.pdb.gz costs 0 real_cost = -108.345 T0379.try11-opt1-scwrl.pdb.gz costs 0 real_cost = -109.654 T0379.try10-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -101.537 T0379.try10-opt2.pdb.gz costs 0 real_cost = -106.516 T0379.try10-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = -98.4026 T0379.try10-opt2.gromacs0.pdb.gz costs 0 real_cost = -105.221 T0379.try10-opt1.pdb.gz costs 0 real_cost = -100.968 T0379.try10-opt1-scwrl.pdb.gz costs 0 real_cost = -101.462 T0379.try1-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -105.812 T0379.try1-opt2.pdb.gz costs 0 real_cost = -108.753 T0379.try1-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = -107.909 T0379.try1-opt2.gromacs0.pdb.gz costs 0 real_cost = -105.853 T0379.try1-opt1.pdb.gz costs 0 real_cost = -107.443 T0379.try1-opt1-scwrl.pdb.gz costs 0 real_cost = -108.065 ../model5.ts-submitted costs 0 real_cost = 156.143 ../model4.ts-submitted costs 0 real_cost = 176.183 ../model3.ts-submitted costs 0 real_cost = -109.963 ../model2.ts-submitted costs 0 real_cost = -117.15 ../model1.ts-submitted costs 0 real_cost = -113.819 align5 costs 0 real_cost = 212.566 align4 costs 0 real_cost = 126.649 align3 costs 0 real_cost = 106.631 align2 costs 0 real_cost = 163.874 align1 costs 0 real_cost = 221.844 T0379.try1-opt2.pdb costs 0 real_cost = -108.753 model5-scwrl costs 0 real_cost = 154.438 model5.ts-submitted costs 0 real_cost = 156.143 model4-scwrl costs 0 real_cost = 175.867 model4.ts-submitted costs 0 real_cost = 176.183 model3-scwrl costs 0 real_cost = -104.897 model3.ts-submitted costs 0 real_cost = -109.963 model2-scwrl costs 0 real_cost = -115.09 model2.ts-submitted costs 0 real_cost = -117.15 model1-scwrl costs 0 real_cost = -111.463 model1.ts-submitted costs 0 real_cost = -113.819 T0379_2.real.pdb costs 0 real_cost = -662.2 # command:CPU_time= 290.607 sec, elapsed time= 701.833 sec) # command:rm -f sort.tmp /projects/compbio/bin/sorttbl real_cost < decoys/evaluate_2.rdb > sort.tmp mv -f sort.tmp decoys/evaluate_2.rdb mv -f decoys/evaluate_2.pretty decoys/evaluate_2.pretty.old mv: cannot stat `decoys/evaluate_2.pretty': No such file or directory make: [decoys/evaluate_2.pretty] Error 1 (ignored) /projects/compbio/experiments/protein-predict/casp7/scripts/prettyscore -terse -targpfx -decpoint < decoys/evaluate_2.rdb > decoys/evaluate_2.pretty