/projects/compbio/experiments/protein-predict/casp7/starter-directory/Make.main:725: SECONDARY_TARGET = T0379.t06.str2 mkdir -p decoys rm decoys/read-pdb+servers.under cd decoys; shopt -s nullglob ; for x in ../*.ts-submitted* ; do echo ReadConformPDB $x >> read-pdb+servers.under ; done cd decoys; shopt -s nullglob ; for x in *.pdb* ; do echo ReadConformPDB $x >> read-pdb+servers.under ; done cd decoys; shopt -s nullglob ; for x in ../*mer/decoys/*.pdb* ; \ do echo ReadConformPDB $x chain A >> read-pdb+servers.under ; \ y=${x#../} ;\ z=${y/decoys} ;\ a=${z/T0379.} ;\ b=${a%.gz} ;\ c=${b%.pdb} ;\ echo NameConform $c >> read-pdb+servers.under ; \ done cd decoys; shopt -s nullglob ; for x in servers/*.pdb.gz ; do \ echo ReadConformPDB $x >> read-pdb+servers.under ; \ y=${x%.pdb.gz} ; \ z=${y#servers/} ; \ echo NameConform $z >> read-pdb+servers.under ; \ echo SCWRLConform >> read-pdb+servers.under ; \ echo NameConform $z-scwrl >> read-pdb+servers.under ; \ done chgrp protein decoys/read-pdb+servers.under chmod g+w decoys/read-pdb+servers.under rm -f decoys/evaluate.rdb sed -e s/XXX0000/T0379/ -e s/START_COL/1/ \ -e s/REAL_PDB/2i6xA/ \ -e s/_domain// \ -e s/read-pdb/read-pdb+servers/ \ -e 's/include COSTFCN.costfcn//' \ -e s/.COSTFCN// \ < /projects/compbio/experiments/protein-predict/casp7/starter-directory/evaluate.under \ | nice -2 /projects/compbio/programs/undertaker/undertaker # command:# Seed set to 1170371929 # 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= 4.71928 sec, elapsed time= 4.75622 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= 4.78027 sec, elapsed time= 4.83219 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:2i6xA expands to /projects/compbio/data/pdb/2i6x.pdb.gz 2i6xA:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 115, because occupancy 5.0000000e-01 <= existing 0.500 in 2i6xA Skipped atom 117, because occupancy 0.500 <= existing 0.500 in 2i6xA Skipped atom 119, because occupancy 0.500 <= existing 0.500 in 2i6xA Skipped atom 121, because occupancy 0.500 <= existing 0.500 in 2i6xA Skipped atom 123, because occupancy 0.500 <= existing 0.500 in 2i6xA Skipped atom 125, because occupancy 0.500 <= existing 0.500 in 2i6xA Skipped atom 127, because occupancy 0.500 <= existing 0.500 in 2i6xA Skipped atom 129, because occupancy 0.500 <= existing 0.500 in 2i6xA Skipped atom 131, because occupancy 0.500 <= existing 0.500 in 2i6xA Skipped atom 133, because occupancy 0.500 <= existing 0.500 in 2i6xA Skipped atom 162, because occupancy 0.500 <= existing 0.500 in 2i6xA Skipped atom 164, because occupancy 0.500 <= existing 0.500 in 2i6xA Skipped atom 166, because occupancy 0.500 <= existing 0.500 in 2i6xA Skipped atom 168, because occupancy 0.500 <= existing 0.500 in 2i6xA Skipped atom 170, because occupancy 0.500 <= existing 0.500 in 2i6xA Skipped atom 172, because occupancy 0.500 <= existing 0.500 in 2i6xA Skipped atom 174, because occupancy 0.500 <= existing 0.500 in 2i6xA Skipped atom 176, because occupancy 0.500 <= existing 0.500 in 2i6xA Skipped atom 178, because occupancy 0.500 <= existing 0.500 in 2i6xA Skipped atom 203, because occupancy 0.500 <= existing 0.500 in 2i6xA Skipped atom 205, because occupancy 0.500 <= existing 0.500 in 2i6xA Skipped atom 207, because occupancy 0.500 <= existing 0.500 in 2i6xA Skipped atom 209, because occupancy 0.500 <= existing 0.500 in 2i6xA Skipped atom 211, because occupancy 0.500 <= existing 0.500 in 2i6xA Skipped atom 213, because occupancy 0.500 <= existing 0.500 in 2i6xA Skipped atom 215, because occupancy 0.500 <= existing 0.500 in 2i6xA Skipped atom 217, because occupancy 0.500 <= existing 0.500 in 2i6xA Skipped atom 219, because occupancy 0.500 <= existing 0.500 in 2i6xA Skipped atom 221, because occupancy 0.500 <= existing 0.500 in 2i6xA Skipped atom 223, because occupancy 0.500 <= existing 0.500 in 2i6xA 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 2i6xA 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 2i6xA 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 2i6xA 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 2i6xA 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 2i6xA 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 2i6xA 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 2i6xA 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 2i6xA Skipped atom 583, because occupancy 0.500 <= existing 0.500 in 2i6xA Skipped atom 587, because occupancy 0.500 <= existing 0.500 in 2i6xA Skipped atom 589, because occupancy 0.500 <= existing 0.500 in 2i6xA Skipped atom 591, because occupancy 0.500 <= existing 0.500 in 2i6xA Skipped atom 593, because occupancy 0.500 <= existing 0.500 in 2i6xA Skipped atom 595, because occupancy 0.500 <= existing 0.500 in 2i6xA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 997, because occupancy 0.500 <= existing 0.500 in 2i6xA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 999, because occupancy 0.500 <= existing 0.500 in 2i6xA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1001, because occupancy 0.500 <= existing 0.500 in 2i6xA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1003, because occupancy 0.500 <= existing 0.500 in 2i6xA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1005, because occupancy 0.500 <= existing 0.500 in 2i6xA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1007, because occupancy 0.500 <= existing 0.500 in 2i6xA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1009, because occupancy 0.500 <= existing 0.500 in 2i6xA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1011, because occupancy 0.500 <= existing 0.500 in 2i6xA Skipped atom 1100, because occupancy 0.500 <= existing 0.500 in 2i6xA Skipped atom 1104, because occupancy 0.500 <= existing 0.500 in 2i6xA Skipped atom 1106, because occupancy 0.500 <= existing 0.500 in 2i6xA Skipped atom 1108, because occupancy 0.500 <= existing 0.500 in 2i6xA Skipped atom 1110, because occupancy 0.500 <= existing 0.500 in 2i6xA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1500, because occupancy 0.500 <= existing 0.500 in 2i6xA Skipped atom 1502, because occupancy 0.500 <= existing 0.500 in 2i6xA Skipped atom 1504, because occupancy 0.500 <= existing 0.500 in 2i6xA Skipped atom 1506, because occupancy 0.500 <= existing 0.500 in 2i6xA Skipped atom 1508, because occupancy 0.500 <= existing 0.500 in 2i6xA Skipped atom 1510, because occupancy 0.500 <= existing 0.500 in 2i6xA Skipped atom 1512, because occupancy 0.500 <= existing 0.500 in 2i6xA Skipped atom 1514, because occupancy 0.500 <= existing 0.500 in 2i6xA Skipped atom 1516, because occupancy 0.500 <= existing 0.500 in 2i6xA Skipped atom 1518, because occupancy 0.500 <= existing 0.500 in 2i6xA Skipped atom 1520, because occupancy 0.500 <= existing 0.500 in 2i6xA Skipped atom 1701, because occupancy 0.500 <= existing 0.500 in 2i6xA Skipped atom 1705, because occupancy 0.500 <= existing 0.500 in 2i6xA Skipped atom 1707, because occupancy 0.500 <= existing 0.500 in 2i6xA Skipped atom 1709, because occupancy 0.500 <= existing 0.500 in 2i6xA Skipped atom 1711, because occupancy 0.500 <= existing 0.500 in 2i6xA Skipped atom 1713, because occupancy 0.500 <= existing 0.500 in 2i6xA Skipped atom 1715, because occupancy 0.500 <= existing 0.500 in 2i6xA Skipped atom 1717, because occupancy 0.500 <= existing 0.500 in 2i6xA Read 205 residues and 1659 atoms. # 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= 6.66899 sec, elapsed time= 6.7512 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 = -67.7696 # GDT_score(maxd=8,maxw=2.9)= -69.285 # GDT_score(maxd=8,maxw=3.2)= -66.0105 # GDT_score(maxd=8,maxw=3.5)= -62.6352 # GDT_score(maxd=10,maxw=3.8)= -65.8476 # GDT_score(maxd=10,maxw=4)= -63.5647 # GDT_score(maxd=10,maxw=4.2)= -61.346 # GDT_score(maxd=12,maxw=4.3)= -65.3527 # GDT_score(maxd=12,maxw=4.5)= -63.1799 # GDT_score(maxd=12,maxw=4.7)= -61.0803 # GDT_score(maxd=14,maxw=5.2)= -60.1671 # GDT_score(maxd=14,maxw=5.5)= -57.5311 # command:# request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1398141381.pdb -s /var/tmp/to_scwrl_1398141381.seq -o /var/tmp/from_scwrl_1398141381.pdb > /var/tmp/scwrl_1398141381.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1398141381.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= 2470.000 rmsd (weighted)= 4.356 (unweighted)= 11.024 superimposing iter= 1 total_weight= 6631.838 rmsd (weighted)= 1.928 (unweighted)= 11.121 superimposing iter= 2 total_weight= 3618.672 rmsd (weighted)= 1.253 (unweighted)= 11.166 superimposing iter= 3 total_weight= 2250.286 rmsd (weighted)= 1.062 (unweighted)= 11.181 superimposing iter= 4 total_weight= 1774.284 rmsd (weighted)= 1.019 (unweighted)= 11.187 superimposing iter= 5 total_weight= 1670.747 rmsd (weighted)= 1.008 (unweighted)= 11.191 # 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 = -64.8284 # GDT_score(maxd=8,maxw=2.9)= -66.9424 # GDT_score(maxd=8,maxw=3.2)= -63.569 # GDT_score(maxd=8,maxw=3.5)= -60.2122 # GDT_score(maxd=10,maxw=3.8)= -63.598 # GDT_score(maxd=10,maxw=4)= -61.475 # GDT_score(maxd=10,maxw=4.2)= -59.409 # GDT_score(maxd=12,maxw=4.3)= -63.4356 # GDT_score(maxd=12,maxw=4.5)= -61.3936 # GDT_score(maxd=12,maxw=4.7)= -59.4162 # GDT_score(maxd=14,maxw=5.2)= -58.6375 # GDT_score(maxd=14,maxw=5.5)= -55.9591 # command:# request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_968409100.pdb -s /var/tmp/to_scwrl_968409100.seq -o /var/tmp/from_scwrl_968409100.pdb > /var/tmp/scwrl_968409100.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_968409100.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 = -66.1765 # GDT_score(maxd=8,maxw=2.9)= -67.7205 # GDT_score(maxd=8,maxw=3.2)= -64.2585 # GDT_score(maxd=8,maxw=3.5)= -60.7016 # GDT_score(maxd=10,maxw=3.8)= -64.0831 # GDT_score(maxd=10,maxw=4)= -61.7569 # GDT_score(maxd=10,maxw=4.2)= -59.5369 # GDT_score(maxd=12,maxw=4.3)= -63.6789 # GDT_score(maxd=12,maxw=4.5)= -61.5078 # GDT_score(maxd=12,maxw=4.7)= -59.4709 # GDT_score(maxd=14,maxw=5.2)= -58.708 # GDT_score(maxd=14,maxw=5.5)= -56.1311 # command:# request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1510555051.pdb -s /var/tmp/to_scwrl_1510555051.seq -o /var/tmp/from_scwrl_1510555051.pdb > /var/tmp/scwrl_1510555051.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1510555051.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 = -49.6324 # GDT_score(maxd=8,maxw=2.9)= -50.9813 # GDT_score(maxd=8,maxw=3.2)= -48.3746 # GDT_score(maxd=8,maxw=3.5)= -45.9478 # GDT_score(maxd=10,maxw=3.8)= -48.7674 # GDT_score(maxd=10,maxw=4)= -47.1735 # GDT_score(maxd=10,maxw=4.2)= -45.6018 # GDT_score(maxd=12,maxw=4.3)= -49.0382 # GDT_score(maxd=12,maxw=4.5)= -47.4726 # GDT_score(maxd=12,maxw=4.7)= -45.9532 # GDT_score(maxd=14,maxw=5.2)= -45.7768 # GDT_score(maxd=14,maxw=5.5)= -43.6759 # command:# request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_959654026.pdb -s /var/tmp/to_scwrl_959654026.seq -o /var/tmp/from_scwrl_959654026.pdb > /var/tmp/scwrl_959654026.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_959654026.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 = -45.3431 # GDT_score(maxd=8,maxw=2.9)= -44.5212 # GDT_score(maxd=8,maxw=3.2)= -42.169 # GDT_score(maxd=8,maxw=3.5)= -39.9642 # GDT_score(maxd=10,maxw=3.8)= -43.5389 # GDT_score(maxd=10,maxw=4)= -42.1136 # GDT_score(maxd=10,maxw=4.2)= -40.705 # GDT_score(maxd=12,maxw=4.3)= -44.6007 # GDT_score(maxd=12,maxw=4.5)= -43.156 # GDT_score(maxd=12,maxw=4.7)= -41.7451 # GDT_score(maxd=14,maxw=5.2)= -42.0117 # GDT_score(maxd=14,maxw=5.5)= -40.0334 # command:# request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1003791513.pdb -s /var/tmp/to_scwrl_1003791513.seq -o /var/tmp/from_scwrl_1003791513.pdb > /var/tmp/scwrl_1003791513.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1003791513.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 = -65.0735 # GDT_score(maxd=8,maxw=2.9)= -66.7643 # GDT_score(maxd=8,maxw=3.2)= -63.4329 # GDT_score(maxd=8,maxw=3.5)= -60.1731 # GDT_score(maxd=10,maxw=3.8)= -63.5352 # GDT_score(maxd=10,maxw=4)= -61.4471 # GDT_score(maxd=10,maxw=4.2)= -59.3878 # GDT_score(maxd=12,maxw=4.3)= -63.4188 # GDT_score(maxd=12,maxw=4.5)= -61.3833 # GDT_score(maxd=12,maxw=4.7)= -59.3941 # GDT_score(maxd=14,maxw=5.2)= -58.6161 # GDT_score(maxd=14,maxw=5.5)= -55.9733 # command:# Prefix for output files set to # command:superimposing iter= 0 total_weight= 2470.000 rmsd (weighted)= 4.515 (unweighted)= 11.340 superimposing iter= 1 total_weight= 6388.200 rmsd (weighted)= 2.060 (unweighted)= 11.450 superimposing iter= 2 total_weight= 3325.869 rmsd (weighted)= 1.400 (unweighted)= 11.497 superimposing iter= 3 total_weight= 2230.645 rmsd (weighted)= 1.186 (unweighted)= 11.519 superimposing iter= 4 total_weight= 1844.742 rmsd (weighted)= 1.112 (unweighted)= 11.531 superimposing iter= 5 total_weight= 1724.260 rmsd (weighted)= 1.080 (unweighted)= 11.538 # 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 = 0.882353 # GDT_score = -44.7304 # GDT_score(maxd=8,maxw=2.9)= -44.6127 # GDT_score(maxd=8,maxw=3.2)= -42.281 # GDT_score(maxd=8,maxw=3.5)= -40.0291 # GDT_score(maxd=10,maxw=3.8)= -43.1883 # GDT_score(maxd=10,maxw=4)= -41.7135 # GDT_score(maxd=10,maxw=4.2)= -40.3039 # GDT_score(maxd=12,maxw=4.3)= -43.8565 # GDT_score(maxd=12,maxw=4.5)= -42.4364 # GDT_score(maxd=12,maxw=4.7)= -41.1095 # GDT_score(maxd=14,maxw=5.2)= -41.2329 # GDT_score(maxd=14,maxw=5.5)= -39.3516 # 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 = 0.946078 # GDT_score = -52.8186 # GDT_score(maxd=8,maxw=2.9)= -53.5243 # GDT_score(maxd=8,maxw=3.2)= -50.9912 # GDT_score(maxd=8,maxw=3.5)= -48.4858 # GDT_score(maxd=10,maxw=3.8)= -51.3199 # GDT_score(maxd=10,maxw=4)= -49.6486 # GDT_score(maxd=10,maxw=4.2)= -48.0229 # GDT_score(maxd=12,maxw=4.3)= -51.4689 # GDT_score(maxd=12,maxw=4.5)= -49.8474 # GDT_score(maxd=12,maxw=4.7)= -48.2737 # GDT_score(maxd=14,maxw=5.2)= -47.9792 # GDT_score(maxd=14,maxw=5.5)= -45.7953 # 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_326383250.pdb -s /var/tmp/to_scwrl_326383250.seq -o /var/tmp/from_scwrl_326383250.pdb > /var/tmp/scwrl_326383250.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_326383250.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_2037203622.pdb -s /var/tmp/to_scwrl_2037203622.seq -o /var/tmp/from_scwrl_2037203622.pdb > /var/tmp/scwrl_2037203622.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2037203622.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_1213177738.pdb -s /var/tmp/to_scwrl_1213177738.seq -o /var/tmp/from_scwrl_1213177738.pdb > /var/tmp/scwrl_1213177738.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1213177738.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_1798079938.pdb -s /var/tmp/to_scwrl_1798079938.seq -o /var/tmp/from_scwrl_1798079938.pdb > /var/tmp/scwrl_1798079938.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1798079938.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_949721459.pdb -s /var/tmp/to_scwrl_949721459.seq -o /var/tmp/from_scwrl_949721459.pdb > /var/tmp/scwrl_949721459.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_949721459.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_1122872380.pdb -s /var/tmp/to_scwrl_1122872380.seq -o /var/tmp/from_scwrl_1122872380.pdb > /var/tmp/scwrl_1122872380.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1122872380.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_838136853.pdb -s /var/tmp/to_scwrl_838136853.seq -o /var/tmp/from_scwrl_838136853.pdb > /var/tmp/scwrl_838136853.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_838136853.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_2076720418.pdb -s /var/tmp/to_scwrl_2076720418.seq -o /var/tmp/from_scwrl_2076720418.pdb > /var/tmp/scwrl_2076720418.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2076720418.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_1292565963.pdb -s /var/tmp/to_scwrl_1292565963.seq -o /var/tmp/from_scwrl_1292565963.pdb > /var/tmp/scwrl_1292565963.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1292565963.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_2063273589.pdb -s /var/tmp/to_scwrl_2063273589.seq -o /var/tmp/from_scwrl_2063273589.pdb > /var/tmp/scwrl_2063273589.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2063273589.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_2099336247.pdb -s /var/tmp/to_scwrl_2099336247.seq -o /var/tmp/from_scwrl_2099336247.pdb > /var/tmp/scwrl_2099336247.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2099336247.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_461607260.pdb -s /var/tmp/to_scwrl_461607260.seq -o /var/tmp/from_scwrl_461607260.pdb > /var/tmp/scwrl_461607260.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_461607260.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_986001386.pdb -s /var/tmp/to_scwrl_986001386.seq -o /var/tmp/from_scwrl_986001386.pdb > /var/tmp/scwrl_986001386.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_986001386.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_819534735.pdb -s /var/tmp/to_scwrl_819534735.seq -o /var/tmp/from_scwrl_819534735.pdb > /var/tmp/scwrl_819534735.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_819534735.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_658092518.pdb -s /var/tmp/to_scwrl_658092518.seq -o /var/tmp/from_scwrl_658092518.pdb > /var/tmp/scwrl_658092518.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_658092518.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_210855216.pdb -s /var/tmp/to_scwrl_210855216.seq -o /var/tmp/from_scwrl_210855216.pdb > /var/tmp/scwrl_210855216.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_210855216.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_749594272.pdb -s /var/tmp/to_scwrl_749594272.seq -o /var/tmp/from_scwrl_749594272.pdb > /var/tmp/scwrl_749594272.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_749594272.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_1394103939.pdb -s /var/tmp/to_scwrl_1394103939.seq -o /var/tmp/from_scwrl_1394103939.pdb > /var/tmp/scwrl_1394103939.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1394103939.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_596089506.pdb -s /var/tmp/to_scwrl_596089506.seq -o /var/tmp/from_scwrl_596089506.pdb > /var/tmp/scwrl_596089506.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_596089506.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_1415484273.pdb -s /var/tmp/to_scwrl_1415484273.seq -o /var/tmp/from_scwrl_1415484273.pdb > /var/tmp/scwrl_1415484273.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1415484273.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_1877930455.pdb -s /var/tmp/to_scwrl_1877930455.seq -o /var/tmp/from_scwrl_1877930455.pdb > /var/tmp/scwrl_1877930455.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1877930455.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_1420602428.pdb -s /var/tmp/to_scwrl_1420602428.seq -o /var/tmp/from_scwrl_1420602428.pdb > /var/tmp/scwrl_1420602428.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1420602428.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_74698253.pdb -s /var/tmp/to_scwrl_74698253.seq -o /var/tmp/from_scwrl_74698253.pdb > /var/tmp/scwrl_74698253.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_74698253.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_1081260212.pdb -s /var/tmp/to_scwrl_1081260212.seq -o /var/tmp/from_scwrl_1081260212.pdb > /var/tmp/scwrl_1081260212.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1081260212.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_590715793.pdb -s /var/tmp/to_scwrl_590715793.seq -o /var/tmp/from_scwrl_590715793.pdb > /var/tmp/scwrl_590715793.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_590715793.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_106752172.pdb -s /var/tmp/to_scwrl_106752172.seq -o /var/tmp/from_scwrl_106752172.pdb > /var/tmp/scwrl_106752172.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_106752172.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_331917947.pdb -s /var/tmp/to_scwrl_331917947.seq -o /var/tmp/from_scwrl_331917947.pdb > /var/tmp/scwrl_331917947.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_331917947.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_1559124892.pdb -s /var/tmp/to_scwrl_1559124892.seq -o /var/tmp/from_scwrl_1559124892.pdb > /var/tmp/scwrl_1559124892.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1559124892.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_1617307223.pdb -s /var/tmp/to_scwrl_1617307223.seq -o /var/tmp/from_scwrl_1617307223.pdb > /var/tmp/scwrl_1617307223.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1617307223.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_1291571972.pdb -s /var/tmp/to_scwrl_1291571972.seq -o /var/tmp/from_scwrl_1291571972.pdb > /var/tmp/scwrl_1291571972.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1291571972.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_415432759.pdb -s /var/tmp/to_scwrl_415432759.seq -o /var/tmp/from_scwrl_415432759.pdb > /var/tmp/scwrl_415432759.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_415432759.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_1943690473.pdb -s /var/tmp/to_scwrl_1943690473.seq -o /var/tmp/from_scwrl_1943690473.pdb > /var/tmp/scwrl_1943690473.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1943690473.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_1181291947.pdb -s /var/tmp/to_scwrl_1181291947.seq -o /var/tmp/from_scwrl_1181291947.pdb > /var/tmp/scwrl_1181291947.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1181291947.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_1628610497.pdb -s /var/tmp/to_scwrl_1628610497.seq -o /var/tmp/from_scwrl_1628610497.pdb > /var/tmp/scwrl_1628610497.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1628610497.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_1594286764.pdb -s /var/tmp/to_scwrl_1594286764.seq -o /var/tmp/from_scwrl_1594286764.pdb > /var/tmp/scwrl_1594286764.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1594286764.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_2131013407.pdb -s /var/tmp/to_scwrl_2131013407.seq -o /var/tmp/from_scwrl_2131013407.pdb > /var/tmp/scwrl_2131013407.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2131013407.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_603999231.pdb -s /var/tmp/to_scwrl_603999231.seq -o /var/tmp/from_scwrl_603999231.pdb > /var/tmp/scwrl_603999231.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_603999231.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_284939970.pdb -s /var/tmp/to_scwrl_284939970.seq -o /var/tmp/from_scwrl_284939970.pdb > /var/tmp/scwrl_284939970.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_284939970.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_2060250178.pdb -s /var/tmp/to_scwrl_2060250178.seq -o /var/tmp/from_scwrl_2060250178.pdb > /var/tmp/scwrl_2060250178.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2060250178.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_1896565194.pdb -s /var/tmp/to_scwrl_1896565194.seq -o /var/tmp/from_scwrl_1896565194.pdb > /var/tmp/scwrl_1896565194.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1896565194.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_200729913.pdb -s /var/tmp/to_scwrl_200729913.seq -o /var/tmp/from_scwrl_200729913.pdb > /var/tmp/scwrl_200729913.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_200729913.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_2012102779.pdb -s /var/tmp/to_scwrl_2012102779.seq -o /var/tmp/from_scwrl_2012102779.pdb > /var/tmp/scwrl_2012102779.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2012102779.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_210688807.pdb -s /var/tmp/to_scwrl_210688807.seq -o /var/tmp/from_scwrl_210688807.pdb > /var/tmp/scwrl_210688807.log Error: Couldn't open file /var/tmp/from_scwrl_210688807.pdb or /var/tmp/from_scwrl_210688807.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_210688807_b.pdb or decoys//var/tmp/from_scwrl_210688807_b.pdb.gz for input Trying /var/tmp/from_scwrl_210688807_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_210688807_b.pdb or /var/tmp/from_scwrl_210688807_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_210688807_a.pdb or decoys//var/tmp/from_scwrl_210688807_a.pdb.gz for input Trying /var/tmp/from_scwrl_210688807_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_210688807_a.pdb or /var/tmp/from_scwrl_210688807_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_210688807.pdb or /var/tmp/from_scwrl_210688807_b.pdb or /var/tmp/from_scwrl_210688807_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_1186731298.pdb -s /var/tmp/to_scwrl_1186731298.seq -o /var/tmp/from_scwrl_1186731298.pdb > /var/tmp/scwrl_1186731298.log Error: Couldn't open file /var/tmp/from_scwrl_1186731298.pdb or /var/tmp/from_scwrl_1186731298.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1186731298_b.pdb or decoys//var/tmp/from_scwrl_1186731298_b.pdb.gz for input Trying /var/tmp/from_scwrl_1186731298_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1186731298_b.pdb or /var/tmp/from_scwrl_1186731298_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1186731298_a.pdb or decoys//var/tmp/from_scwrl_1186731298_a.pdb.gz for input Trying /var/tmp/from_scwrl_1186731298_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1186731298_a.pdb or /var/tmp/from_scwrl_1186731298_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1186731298.pdb or /var/tmp/from_scwrl_1186731298_b.pdb or /var/tmp/from_scwrl_1186731298_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_684153867.pdb -s /var/tmp/to_scwrl_684153867.seq -o /var/tmp/from_scwrl_684153867.pdb > /var/tmp/scwrl_684153867.log Error: Couldn't open file /var/tmp/from_scwrl_684153867.pdb or /var/tmp/from_scwrl_684153867.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_684153867_b.pdb or decoys//var/tmp/from_scwrl_684153867_b.pdb.gz for input Trying /var/tmp/from_scwrl_684153867_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_684153867_b.pdb or /var/tmp/from_scwrl_684153867_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_684153867_a.pdb or decoys//var/tmp/from_scwrl_684153867_a.pdb.gz for input Trying /var/tmp/from_scwrl_684153867_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_684153867_a.pdb or /var/tmp/from_scwrl_684153867_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_684153867.pdb or /var/tmp/from_scwrl_684153867_b.pdb or /var/tmp/from_scwrl_684153867_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_868781326.pdb -s /var/tmp/to_scwrl_868781326.seq -o /var/tmp/from_scwrl_868781326.pdb > /var/tmp/scwrl_868781326.log Error: Couldn't open file /var/tmp/from_scwrl_868781326.pdb or /var/tmp/from_scwrl_868781326.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_868781326_b.pdb or decoys//var/tmp/from_scwrl_868781326_b.pdb.gz for input Trying /var/tmp/from_scwrl_868781326_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_868781326_b.pdb or /var/tmp/from_scwrl_868781326_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_868781326_a.pdb or decoys//var/tmp/from_scwrl_868781326_a.pdb.gz for input Trying /var/tmp/from_scwrl_868781326_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_868781326_a.pdb or /var/tmp/from_scwrl_868781326_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_868781326.pdb or /var/tmp/from_scwrl_868781326_b.pdb or /var/tmp/from_scwrl_868781326_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_1397586514.pdb -s /var/tmp/to_scwrl_1397586514.seq -o /var/tmp/from_scwrl_1397586514.pdb > /var/tmp/scwrl_1397586514.log Error: Couldn't open file /var/tmp/from_scwrl_1397586514.pdb or /var/tmp/from_scwrl_1397586514.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1397586514_b.pdb or decoys//var/tmp/from_scwrl_1397586514_b.pdb.gz for input Trying /var/tmp/from_scwrl_1397586514_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1397586514_b.pdb or /var/tmp/from_scwrl_1397586514_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1397586514_a.pdb or decoys//var/tmp/from_scwrl_1397586514_a.pdb.gz for input Trying /var/tmp/from_scwrl_1397586514_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1397586514_a.pdb or /var/tmp/from_scwrl_1397586514_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1397586514.pdb or /var/tmp/from_scwrl_1397586514_b.pdb or /var/tmp/from_scwrl_1397586514_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_1433748138.pdb -s /var/tmp/to_scwrl_1433748138.seq -o /var/tmp/from_scwrl_1433748138.pdb > /var/tmp/scwrl_1433748138.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1433748138.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_115401618.pdb -s /var/tmp/to_scwrl_115401618.seq -o /var/tmp/from_scwrl_115401618.pdb > /var/tmp/scwrl_115401618.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_115401618.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_1993676020.pdb -s /var/tmp/to_scwrl_1993676020.seq -o /var/tmp/from_scwrl_1993676020.pdb > /var/tmp/scwrl_1993676020.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1993676020.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_701748765.pdb -s /var/tmp/to_scwrl_701748765.seq -o /var/tmp/from_scwrl_701748765.pdb > /var/tmp/scwrl_701748765.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_701748765.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_1993332073.pdb -s /var/tmp/to_scwrl_1993332073.seq -o /var/tmp/from_scwrl_1993332073.pdb > /var/tmp/scwrl_1993332073.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1993332073.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_1266794801.pdb -s /var/tmp/to_scwrl_1266794801.seq -o /var/tmp/from_scwrl_1266794801.pdb > /var/tmp/scwrl_1266794801.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1266794801.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_776447019.pdb -s /var/tmp/to_scwrl_776447019.seq -o /var/tmp/from_scwrl_776447019.pdb > /var/tmp/scwrl_776447019.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_776447019.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_927108639.pdb -s /var/tmp/to_scwrl_927108639.seq -o /var/tmp/from_scwrl_927108639.pdb > /var/tmp/scwrl_927108639.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_927108639.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_1857510595.pdb -s /var/tmp/to_scwrl_1857510595.seq -o /var/tmp/from_scwrl_1857510595.pdb > /var/tmp/scwrl_1857510595.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1857510595.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_883199191.pdb -s /var/tmp/to_scwrl_883199191.seq -o /var/tmp/from_scwrl_883199191.pdb > /var/tmp/scwrl_883199191.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_883199191.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_1259026585.pdb -s /var/tmp/to_scwrl_1259026585.seq -o /var/tmp/from_scwrl_1259026585.pdb > /var/tmp/scwrl_1259026585.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1259026585.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_1269151840.pdb -s /var/tmp/to_scwrl_1269151840.seq -o /var/tmp/from_scwrl_1269151840.pdb > /var/tmp/scwrl_1269151840.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1269151840.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_353022767.pdb -s /var/tmp/to_scwrl_353022767.seq -o /var/tmp/from_scwrl_353022767.pdb > /var/tmp/scwrl_353022767.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_353022767.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_403114912.pdb -s /var/tmp/to_scwrl_403114912.seq -o /var/tmp/from_scwrl_403114912.pdb > /var/tmp/scwrl_403114912.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_403114912.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_1684584599.pdb -s /var/tmp/to_scwrl_1684584599.seq -o /var/tmp/from_scwrl_1684584599.pdb > /var/tmp/scwrl_1684584599.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1684584599.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_149229593.pdb -s /var/tmp/to_scwrl_149229593.seq -o /var/tmp/from_scwrl_149229593.pdb > /var/tmp/scwrl_149229593.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_149229593.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_1584406859.pdb -s /var/tmp/to_scwrl_1584406859.seq -o /var/tmp/from_scwrl_1584406859.pdb > /var/tmp/scwrl_1584406859.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1584406859.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_1165711450.pdb -s /var/tmp/to_scwrl_1165711450.seq -o /var/tmp/from_scwrl_1165711450.pdb > /var/tmp/scwrl_1165711450.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1165711450.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_1743516357.pdb -s /var/tmp/to_scwrl_1743516357.seq -o /var/tmp/from_scwrl_1743516357.pdb > /var/tmp/scwrl_1743516357.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1743516357.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_1567936619.pdb -s /var/tmp/to_scwrl_1567936619.seq -o /var/tmp/from_scwrl_1567936619.pdb > /var/tmp/scwrl_1567936619.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1567936619.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_1769710681.pdb -s /var/tmp/to_scwrl_1769710681.seq -o /var/tmp/from_scwrl_1769710681.pdb > /var/tmp/scwrl_1769710681.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1769710681.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_2028456327.pdb -s /var/tmp/to_scwrl_2028456327.seq -o /var/tmp/from_scwrl_2028456327.pdb > /var/tmp/scwrl_2028456327.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2028456327.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_1480703151.pdb -s /var/tmp/to_scwrl_1480703151.seq -o /var/tmp/from_scwrl_1480703151.pdb > /var/tmp/scwrl_1480703151.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1480703151.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_1518792229.pdb -s /var/tmp/to_scwrl_1518792229.seq -o /var/tmp/from_scwrl_1518792229.pdb > /var/tmp/scwrl_1518792229.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1518792229.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_81702593.pdb -s /var/tmp/to_scwrl_81702593.seq -o /var/tmp/from_scwrl_81702593.pdb > /var/tmp/scwrl_81702593.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_81702593.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_1345322283.pdb -s /var/tmp/to_scwrl_1345322283.seq -o /var/tmp/from_scwrl_1345322283.pdb > /var/tmp/scwrl_1345322283.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1345322283.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_1729481036.pdb -s /var/tmp/to_scwrl_1729481036.seq -o /var/tmp/from_scwrl_1729481036.pdb > /var/tmp/scwrl_1729481036.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1729481036.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_1268433891.pdb -s /var/tmp/to_scwrl_1268433891.seq -o /var/tmp/from_scwrl_1268433891.pdb > /var/tmp/scwrl_1268433891.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1268433891.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_2029476150.pdb -s /var/tmp/to_scwrl_2029476150.seq -o /var/tmp/from_scwrl_2029476150.pdb > /var/tmp/scwrl_2029476150.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2029476150.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_450778715.pdb -s /var/tmp/to_scwrl_450778715.seq -o /var/tmp/from_scwrl_450778715.pdb > /var/tmp/scwrl_450778715.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_450778715.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_518536759.pdb -s /var/tmp/to_scwrl_518536759.seq -o /var/tmp/from_scwrl_518536759.pdb > /var/tmp/scwrl_518536759.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_518536759.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_1315740642.pdb -s /var/tmp/to_scwrl_1315740642.seq -o /var/tmp/from_scwrl_1315740642.pdb > /var/tmp/scwrl_1315740642.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1315740642.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_566180333.pdb -s /var/tmp/to_scwrl_566180333.seq -o /var/tmp/from_scwrl_566180333.pdb > /var/tmp/scwrl_566180333.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_566180333.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_364729133.pdb -s /var/tmp/to_scwrl_364729133.seq -o /var/tmp/from_scwrl_364729133.pdb > /var/tmp/scwrl_364729133.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_364729133.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_2017489407.pdb -s /var/tmp/to_scwrl_2017489407.seq -o /var/tmp/from_scwrl_2017489407.pdb > /var/tmp/scwrl_2017489407.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2017489407.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_412028759.pdb -s /var/tmp/to_scwrl_412028759.seq -o /var/tmp/from_scwrl_412028759.pdb > /var/tmp/scwrl_412028759.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_412028759.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_1631523934.pdb -s /var/tmp/to_scwrl_1631523934.seq -o /var/tmp/from_scwrl_1631523934.pdb > /var/tmp/scwrl_1631523934.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1631523934.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_646452779.pdb -s /var/tmp/to_scwrl_646452779.seq -o /var/tmp/from_scwrl_646452779.pdb > /var/tmp/scwrl_646452779.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_646452779.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_1339137397.pdb -s /var/tmp/to_scwrl_1339137397.seq -o /var/tmp/from_scwrl_1339137397.pdb > /var/tmp/scwrl_1339137397.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1339137397.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_1341550882.pdb -s /var/tmp/to_scwrl_1341550882.seq -o /var/tmp/from_scwrl_1341550882.pdb > /var/tmp/scwrl_1341550882.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1341550882.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_1529651969.pdb -s /var/tmp/to_scwrl_1529651969.seq -o /var/tmp/from_scwrl_1529651969.pdb > /var/tmp/scwrl_1529651969.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1529651969.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_450680337.pdb -s /var/tmp/to_scwrl_450680337.seq -o /var/tmp/from_scwrl_450680337.pdb > /var/tmp/scwrl_450680337.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_450680337.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_463219077.pdb -s /var/tmp/to_scwrl_463219077.seq -o /var/tmp/from_scwrl_463219077.pdb > /var/tmp/scwrl_463219077.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_463219077.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_1882674736.pdb -s /var/tmp/to_scwrl_1882674736.seq -o /var/tmp/from_scwrl_1882674736.pdb > /var/tmp/scwrl_1882674736.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1882674736.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_853795249.pdb -s /var/tmp/to_scwrl_853795249.seq -o /var/tmp/from_scwrl_853795249.pdb > /var/tmp/scwrl_853795249.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_853795249.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_320029.pdb -s /var/tmp/to_scwrl_320029.seq -o /var/tmp/from_scwrl_320029.pdb > /var/tmp/scwrl_320029.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_320029.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_2031904329.pdb -s /var/tmp/to_scwrl_2031904329.seq -o /var/tmp/from_scwrl_2031904329.pdb > /var/tmp/scwrl_2031904329.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2031904329.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_290718461.pdb -s /var/tmp/to_scwrl_290718461.seq -o /var/tmp/from_scwrl_290718461.pdb > /var/tmp/scwrl_290718461.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_290718461.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_1166031479.pdb -s /var/tmp/to_scwrl_1166031479.seq -o /var/tmp/from_scwrl_1166031479.pdb > /var/tmp/scwrl_1166031479.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1166031479.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_1627937039.pdb -s /var/tmp/to_scwrl_1627937039.seq -o /var/tmp/from_scwrl_1627937039.pdb > /var/tmp/scwrl_1627937039.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1627937039.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_1858655081.pdb -s /var/tmp/to_scwrl_1858655081.seq -o /var/tmp/from_scwrl_1858655081.pdb > /var/tmp/scwrl_1858655081.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1858655081.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_788258515.pdb -s /var/tmp/to_scwrl_788258515.seq -o /var/tmp/from_scwrl_788258515.pdb > /var/tmp/scwrl_788258515.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_788258515.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_1508909720.pdb -s /var/tmp/to_scwrl_1508909720.seq -o /var/tmp/from_scwrl_1508909720.pdb > /var/tmp/scwrl_1508909720.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1508909720.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_1191874585.pdb -s /var/tmp/to_scwrl_1191874585.seq -o /var/tmp/from_scwrl_1191874585.pdb > /var/tmp/scwrl_1191874585.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1191874585.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_159567097.pdb -s /var/tmp/to_scwrl_159567097.seq -o /var/tmp/from_scwrl_159567097.pdb > /var/tmp/scwrl_159567097.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_159567097.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_1590612313.pdb -s /var/tmp/to_scwrl_1590612313.seq -o /var/tmp/from_scwrl_1590612313.pdb > /var/tmp/scwrl_1590612313.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1590612313.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_389713222.pdb -s /var/tmp/to_scwrl_389713222.seq -o /var/tmp/from_scwrl_389713222.pdb > /var/tmp/scwrl_389713222.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_389713222.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_1889048133.pdb -s /var/tmp/to_scwrl_1889048133.seq -o /var/tmp/from_scwrl_1889048133.pdb > /var/tmp/scwrl_1889048133.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1889048133.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_711562559.pdb -s /var/tmp/to_scwrl_711562559.seq -o /var/tmp/from_scwrl_711562559.pdb > /var/tmp/scwrl_711562559.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_711562559.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_271705725.pdb -s /var/tmp/to_scwrl_271705725.seq -o /var/tmp/from_scwrl_271705725.pdb > /var/tmp/scwrl_271705725.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_271705725.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_192343202.pdb -s /var/tmp/to_scwrl_192343202.seq -o /var/tmp/from_scwrl_192343202.pdb > /var/tmp/scwrl_192343202.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_192343202.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_1230099317.pdb -s /var/tmp/to_scwrl_1230099317.seq -o /var/tmp/from_scwrl_1230099317.pdb > /var/tmp/scwrl_1230099317.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1230099317.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_1587446367.pdb -s /var/tmp/to_scwrl_1587446367.seq -o /var/tmp/from_scwrl_1587446367.pdb > /var/tmp/scwrl_1587446367.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1587446367.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_758523535.pdb -s /var/tmp/to_scwrl_758523535.seq -o /var/tmp/from_scwrl_758523535.pdb > /var/tmp/scwrl_758523535.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_758523535.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_1594828450.pdb -s /var/tmp/to_scwrl_1594828450.seq -o /var/tmp/from_scwrl_1594828450.pdb > /var/tmp/scwrl_1594828450.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1594828450.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_1457452128.pdb -s /var/tmp/to_scwrl_1457452128.seq -o /var/tmp/from_scwrl_1457452128.pdb > /var/tmp/scwrl_1457452128.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1457452128.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_1170552294.pdb -s /var/tmp/to_scwrl_1170552294.seq -o /var/tmp/from_scwrl_1170552294.pdb > /var/tmp/scwrl_1170552294.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1170552294.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_1078868738.pdb -s /var/tmp/to_scwrl_1078868738.seq -o /var/tmp/from_scwrl_1078868738.pdb > /var/tmp/scwrl_1078868738.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1078868738.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_2103904907.pdb -s /var/tmp/to_scwrl_2103904907.seq -o /var/tmp/from_scwrl_2103904907.pdb > /var/tmp/scwrl_2103904907.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2103904907.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_362206045.pdb -s /var/tmp/to_scwrl_362206045.seq -o /var/tmp/from_scwrl_362206045.pdb > /var/tmp/scwrl_362206045.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_362206045.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_272935974.pdb -s /var/tmp/to_scwrl_272935974.seq -o /var/tmp/from_scwrl_272935974.pdb > /var/tmp/scwrl_272935974.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_272935974.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_1486073230.pdb -s /var/tmp/to_scwrl_1486073230.seq -o /var/tmp/from_scwrl_1486073230.pdb > /var/tmp/scwrl_1486073230.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1486073230.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_812886382.pdb -s /var/tmp/to_scwrl_812886382.seq -o /var/tmp/from_scwrl_812886382.pdb > /var/tmp/scwrl_812886382.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_812886382.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_736155051.pdb -s /var/tmp/to_scwrl_736155051.seq -o /var/tmp/from_scwrl_736155051.pdb > /var/tmp/scwrl_736155051.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_736155051.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_1221264319.pdb -s /var/tmp/to_scwrl_1221264319.seq -o /var/tmp/from_scwrl_1221264319.pdb > /var/tmp/scwrl_1221264319.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1221264319.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_1666681630.pdb -s /var/tmp/to_scwrl_1666681630.seq -o /var/tmp/from_scwrl_1666681630.pdb > /var/tmp/scwrl_1666681630.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1666681630.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_736475081.pdb -s /var/tmp/to_scwrl_736475081.seq -o /var/tmp/from_scwrl_736475081.pdb > /var/tmp/scwrl_736475081.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_736475081.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_1105685002.pdb -s /var/tmp/to_scwrl_1105685002.seq -o /var/tmp/from_scwrl_1105685002.pdb > /var/tmp/scwrl_1105685002.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1105685002.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_1957400092.pdb -s /var/tmp/to_scwrl_1957400092.seq -o /var/tmp/from_scwrl_1957400092.pdb > /var/tmp/scwrl_1957400092.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1957400092.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_1902506560.pdb -s /var/tmp/to_scwrl_1902506560.seq -o /var/tmp/from_scwrl_1902506560.pdb > /var/tmp/scwrl_1902506560.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1902506560.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_586138395.pdb -s /var/tmp/to_scwrl_586138395.seq -o /var/tmp/from_scwrl_586138395.pdb > /var/tmp/scwrl_586138395.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_586138395.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_1668571526.pdb -s /var/tmp/to_scwrl_1668571526.seq -o /var/tmp/from_scwrl_1668571526.pdb > /var/tmp/scwrl_1668571526.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1668571526.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_543281428.pdb -s /var/tmp/to_scwrl_543281428.seq -o /var/tmp/from_scwrl_543281428.pdb > /var/tmp/scwrl_543281428.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_543281428.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_2095048115.pdb -s /var/tmp/to_scwrl_2095048115.seq -o /var/tmp/from_scwrl_2095048115.pdb > /var/tmp/scwrl_2095048115.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2095048115.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_712962465.pdb -s /var/tmp/to_scwrl_712962465.seq -o /var/tmp/from_scwrl_712962465.pdb > /var/tmp/scwrl_712962465.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_712962465.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_702848525.pdb -s /var/tmp/to_scwrl_702848525.seq -o /var/tmp/from_scwrl_702848525.pdb > /var/tmp/scwrl_702848525.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_702848525.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_1538176782.pdb -s /var/tmp/to_scwrl_1538176782.seq -o /var/tmp/from_scwrl_1538176782.pdb > /var/tmp/scwrl_1538176782.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1538176782.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_1102675686.pdb -s /var/tmp/to_scwrl_1102675686.seq -o /var/tmp/from_scwrl_1102675686.pdb > /var/tmp/scwrl_1102675686.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1102675686.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_444413012.pdb -s /var/tmp/to_scwrl_444413012.seq -o /var/tmp/from_scwrl_444413012.pdb > /var/tmp/scwrl_444413012.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_444413012.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_102255694.pdb -s /var/tmp/to_scwrl_102255694.seq -o /var/tmp/from_scwrl_102255694.pdb > /var/tmp/scwrl_102255694.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_102255694.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_1374381411.pdb -s /var/tmp/to_scwrl_1374381411.seq -o /var/tmp/from_scwrl_1374381411.pdb > /var/tmp/scwrl_1374381411.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1374381411.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_636756214.pdb -s /var/tmp/to_scwrl_636756214.seq -o /var/tmp/from_scwrl_636756214.pdb > /var/tmp/scwrl_636756214.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_636756214.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_1332355011.pdb -s /var/tmp/to_scwrl_1332355011.seq -o /var/tmp/from_scwrl_1332355011.pdb > /var/tmp/scwrl_1332355011.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1332355011.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_814344133.pdb -s /var/tmp/to_scwrl_814344133.seq -o /var/tmp/from_scwrl_814344133.pdb > /var/tmp/scwrl_814344133.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_814344133.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_1395279748.pdb -s /var/tmp/to_scwrl_1395279748.seq -o /var/tmp/from_scwrl_1395279748.pdb > /var/tmp/scwrl_1395279748.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1395279748.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_779699816.pdb -s /var/tmp/to_scwrl_779699816.seq -o /var/tmp/from_scwrl_779699816.pdb > /var/tmp/scwrl_779699816.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_779699816.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_124312614.pdb -s /var/tmp/to_scwrl_124312614.seq -o /var/tmp/from_scwrl_124312614.pdb > /var/tmp/scwrl_124312614.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_124312614.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_418348396.pdb -s /var/tmp/to_scwrl_418348396.seq -o /var/tmp/from_scwrl_418348396.pdb > /var/tmp/scwrl_418348396.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_418348396.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_1858568554.pdb -s /var/tmp/to_scwrl_1858568554.seq -o /var/tmp/from_scwrl_1858568554.pdb > /var/tmp/scwrl_1858568554.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1858568554.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_80733874.pdb -s /var/tmp/to_scwrl_80733874.seq -o /var/tmp/from_scwrl_80733874.pdb > /var/tmp/scwrl_80733874.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_80733874.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_780554442.pdb -s /var/tmp/to_scwrl_780554442.seq -o /var/tmp/from_scwrl_780554442.pdb > /var/tmp/scwrl_780554442.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_780554442.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_2131504528.pdb -s /var/tmp/to_scwrl_2131504528.seq -o /var/tmp/from_scwrl_2131504528.pdb > /var/tmp/scwrl_2131504528.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2131504528.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_1566807104.pdb -s /var/tmp/to_scwrl_1566807104.seq -o /var/tmp/from_scwrl_1566807104.pdb > /var/tmp/scwrl_1566807104.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1566807104.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_1593440823.pdb -s /var/tmp/to_scwrl_1593440823.seq -o /var/tmp/from_scwrl_1593440823.pdb > /var/tmp/scwrl_1593440823.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1593440823.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_720175933.pdb -s /var/tmp/to_scwrl_720175933.seq -o /var/tmp/from_scwrl_720175933.pdb > /var/tmp/scwrl_720175933.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_720175933.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_640587778.pdb -s /var/tmp/to_scwrl_640587778.seq -o /var/tmp/from_scwrl_640587778.pdb > /var/tmp/scwrl_640587778.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_640587778.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_1112638807.pdb -s /var/tmp/to_scwrl_1112638807.seq -o /var/tmp/from_scwrl_1112638807.pdb > /var/tmp/scwrl_1112638807.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1112638807.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_1456651013.pdb -s /var/tmp/to_scwrl_1456651013.seq -o /var/tmp/from_scwrl_1456651013.pdb > /var/tmp/scwrl_1456651013.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1456651013.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_1746272780.pdb -s /var/tmp/to_scwrl_1746272780.seq -o /var/tmp/from_scwrl_1746272780.pdb > /var/tmp/scwrl_1746272780.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1746272780.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_922555253.pdb -s /var/tmp/to_scwrl_922555253.seq -o /var/tmp/from_scwrl_922555253.pdb > /var/tmp/scwrl_922555253.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_922555253.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_1211673926.pdb -s /var/tmp/to_scwrl_1211673926.seq -o /var/tmp/from_scwrl_1211673926.pdb > /var/tmp/scwrl_1211673926.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1211673926.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_184927528.pdb -s /var/tmp/to_scwrl_184927528.seq -o /var/tmp/from_scwrl_184927528.pdb > /var/tmp/scwrl_184927528.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_184927528.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_443643132.pdb -s /var/tmp/to_scwrl_443643132.seq -o /var/tmp/from_scwrl_443643132.pdb > /var/tmp/scwrl_443643132.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_443643132.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_1754955355.pdb -s /var/tmp/to_scwrl_1754955355.seq -o /var/tmp/from_scwrl_1754955355.pdb > /var/tmp/scwrl_1754955355.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1754955355.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_132491997.pdb -s /var/tmp/to_scwrl_132491997.seq -o /var/tmp/from_scwrl_132491997.pdb > /var/tmp/scwrl_132491997.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_132491997.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_1156605596.pdb -s /var/tmp/to_scwrl_1156605596.seq -o /var/tmp/from_scwrl_1156605596.pdb > /var/tmp/scwrl_1156605596.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1156605596.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_310320233.pdb -s /var/tmp/to_scwrl_310320233.seq -o /var/tmp/from_scwrl_310320233.pdb > /var/tmp/scwrl_310320233.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_310320233.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_1670668779.pdb -s /var/tmp/to_scwrl_1670668779.seq -o /var/tmp/from_scwrl_1670668779.pdb > /var/tmp/scwrl_1670668779.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1670668779.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_111797636.pdb -s /var/tmp/to_scwrl_111797636.seq -o /var/tmp/from_scwrl_111797636.pdb > /var/tmp/scwrl_111797636.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_111797636.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_754733245.pdb -s /var/tmp/to_scwrl_754733245.seq -o /var/tmp/from_scwrl_754733245.pdb > /var/tmp/scwrl_754733245.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_754733245.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_1772924473.pdb -s /var/tmp/to_scwrl_1772924473.seq -o /var/tmp/from_scwrl_1772924473.pdb > /var/tmp/scwrl_1772924473.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1772924473.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_1486179047.pdb -s /var/tmp/to_scwrl_1486179047.seq -o /var/tmp/from_scwrl_1486179047.pdb > /var/tmp/scwrl_1486179047.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1486179047.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_1391489458.pdb -s /var/tmp/to_scwrl_1391489458.seq -o /var/tmp/from_scwrl_1391489458.pdb > /var/tmp/scwrl_1391489458.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1391489458.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_957795838.pdb -s /var/tmp/to_scwrl_957795838.seq -o /var/tmp/from_scwrl_957795838.pdb > /var/tmp/scwrl_957795838.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_957795838.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_153039533.pdb -s /var/tmp/to_scwrl_153039533.seq -o /var/tmp/from_scwrl_153039533.pdb > /var/tmp/scwrl_153039533.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_153039533.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_639285561.pdb -s /var/tmp/to_scwrl_639285561.seq -o /var/tmp/from_scwrl_639285561.pdb > /var/tmp/scwrl_639285561.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_639285561.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_1737495653.pdb -s /var/tmp/to_scwrl_1737495653.seq -o /var/tmp/from_scwrl_1737495653.pdb > /var/tmp/scwrl_1737495653.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1737495653.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_277352147.pdb -s /var/tmp/to_scwrl_277352147.seq -o /var/tmp/from_scwrl_277352147.pdb > /var/tmp/scwrl_277352147.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_277352147.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_1057633957.pdb -s /var/tmp/to_scwrl_1057633957.seq -o /var/tmp/from_scwrl_1057633957.pdb > /var/tmp/scwrl_1057633957.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1057633957.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_1448580560.pdb -s /var/tmp/to_scwrl_1448580560.seq -o /var/tmp/from_scwrl_1448580560.pdb > /var/tmp/scwrl_1448580560.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1448580560.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_358086022.pdb -s /var/tmp/to_scwrl_358086022.seq -o /var/tmp/from_scwrl_358086022.pdb > /var/tmp/scwrl_358086022.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_358086022.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_1838188398.pdb -s /var/tmp/to_scwrl_1838188398.seq -o /var/tmp/from_scwrl_1838188398.pdb > /var/tmp/scwrl_1838188398.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1838188398.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_1432601442.pdb -s /var/tmp/to_scwrl_1432601442.seq -o /var/tmp/from_scwrl_1432601442.pdb > /var/tmp/scwrl_1432601442.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1432601442.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_1924893126.pdb -s /var/tmp/to_scwrl_1924893126.seq -o /var/tmp/from_scwrl_1924893126.pdb > /var/tmp/scwrl_1924893126.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1924893126.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_1284145575.pdb -s /var/tmp/to_scwrl_1284145575.seq -o /var/tmp/from_scwrl_1284145575.pdb > /var/tmp/scwrl_1284145575.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1284145575.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_5293728.pdb -s /var/tmp/to_scwrl_5293728.seq -o /var/tmp/from_scwrl_5293728.pdb > /var/tmp/scwrl_5293728.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_5293728.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_417997257.pdb -s /var/tmp/to_scwrl_417997257.seq -o /var/tmp/from_scwrl_417997257.pdb > /var/tmp/scwrl_417997257.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_417997257.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_249300736.pdb -s /var/tmp/to_scwrl_249300736.seq -o /var/tmp/from_scwrl_249300736.pdb > /var/tmp/scwrl_249300736.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_249300736.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_1461944741.pdb -s /var/tmp/to_scwrl_1461944741.seq -o /var/tmp/from_scwrl_1461944741.pdb > /var/tmp/scwrl_1461944741.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1461944741.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_16786390.pdb -s /var/tmp/to_scwrl_16786390.seq -o /var/tmp/from_scwrl_16786390.pdb > /var/tmp/scwrl_16786390.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_16786390.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_1171855988.pdb -s /var/tmp/to_scwrl_1171855988.seq -o /var/tmp/from_scwrl_1171855988.pdb > /var/tmp/scwrl_1171855988.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1171855988.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_526135021.pdb -s /var/tmp/to_scwrl_526135021.seq -o /var/tmp/from_scwrl_526135021.pdb > /var/tmp/scwrl_526135021.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_526135021.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_201713919.pdb -s /var/tmp/to_scwrl_201713919.seq -o /var/tmp/from_scwrl_201713919.pdb > /var/tmp/scwrl_201713919.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_201713919.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_1615499120.pdb -s /var/tmp/to_scwrl_1615499120.seq -o /var/tmp/from_scwrl_1615499120.pdb > /var/tmp/scwrl_1615499120.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1615499120.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_133606729.pdb -s /var/tmp/to_scwrl_133606729.seq -o /var/tmp/from_scwrl_133606729.pdb > /var/tmp/scwrl_133606729.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_133606729.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_334205916.pdb -s /var/tmp/to_scwrl_334205916.seq -o /var/tmp/from_scwrl_334205916.pdb > /var/tmp/scwrl_334205916.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_334205916.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_624621070.pdb -s /var/tmp/to_scwrl_624621070.seq -o /var/tmp/from_scwrl_624621070.pdb > /var/tmp/scwrl_624621070.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_624621070.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_443926963.pdb -s /var/tmp/to_scwrl_443926963.seq -o /var/tmp/from_scwrl_443926963.pdb > /var/tmp/scwrl_443926963.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_443926963.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_2004874695.pdb -s /var/tmp/to_scwrl_2004874695.seq -o /var/tmp/from_scwrl_2004874695.pdb > /var/tmp/scwrl_2004874695.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2004874695.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_736418706.pdb -s /var/tmp/to_scwrl_736418706.seq -o /var/tmp/from_scwrl_736418706.pdb > /var/tmp/scwrl_736418706.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_736418706.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_1198660207.pdb -s /var/tmp/to_scwrl_1198660207.seq -o /var/tmp/from_scwrl_1198660207.pdb > /var/tmp/scwrl_1198660207.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1198660207.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_1630315521.pdb -s /var/tmp/to_scwrl_1630315521.seq -o /var/tmp/from_scwrl_1630315521.pdb > /var/tmp/scwrl_1630315521.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1630315521.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_75114106.pdb -s /var/tmp/to_scwrl_75114106.seq -o /var/tmp/from_scwrl_75114106.pdb > /var/tmp/scwrl_75114106.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_75114106.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_442666020.pdb -s /var/tmp/to_scwrl_442666020.seq -o /var/tmp/from_scwrl_442666020.pdb > /var/tmp/scwrl_442666020.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_442666020.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_440627712.pdb -s /var/tmp/to_scwrl_440627712.seq -o /var/tmp/from_scwrl_440627712.pdb > /var/tmp/scwrl_440627712.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_440627712.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_228153640.pdb -s /var/tmp/to_scwrl_228153640.seq -o /var/tmp/from_scwrl_228153640.pdb > /var/tmp/scwrl_228153640.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_228153640.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_1081951580.pdb -s /var/tmp/to_scwrl_1081951580.seq -o /var/tmp/from_scwrl_1081951580.pdb > /var/tmp/scwrl_1081951580.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1081951580.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_30639719.pdb -s /var/tmp/to_scwrl_30639719.seq -o /var/tmp/from_scwrl_30639719.pdb > /var/tmp/scwrl_30639719.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_30639719.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_505505787.pdb -s /var/tmp/to_scwrl_505505787.seq -o /var/tmp/from_scwrl_505505787.pdb > /var/tmp/scwrl_505505787.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_505505787.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_2139585537.pdb -s /var/tmp/to_scwrl_2139585537.seq -o /var/tmp/from_scwrl_2139585537.pdb > /var/tmp/scwrl_2139585537.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2139585537.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_1479220279.pdb -s /var/tmp/to_scwrl_1479220279.seq -o /var/tmp/from_scwrl_1479220279.pdb > /var/tmp/scwrl_1479220279.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1479220279.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_863591809.pdb -s /var/tmp/to_scwrl_863591809.seq -o /var/tmp/from_scwrl_863591809.pdb > /var/tmp/scwrl_863591809.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_863591809.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_1830290289.pdb -s /var/tmp/to_scwrl_1830290289.seq -o /var/tmp/from_scwrl_1830290289.pdb > /var/tmp/scwrl_1830290289.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1830290289.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_764338075.pdb -s /var/tmp/to_scwrl_764338075.seq -o /var/tmp/from_scwrl_764338075.pdb > /var/tmp/scwrl_764338075.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_764338075.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_641001289.pdb -s /var/tmp/to_scwrl_641001289.seq -o /var/tmp/from_scwrl_641001289.pdb > /var/tmp/scwrl_641001289.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_641001289.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_966952218.pdb -s /var/tmp/to_scwrl_966952218.seq -o /var/tmp/from_scwrl_966952218.pdb > /var/tmp/scwrl_966952218.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_966952218.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_769631803.pdb -s /var/tmp/to_scwrl_769631803.seq -o /var/tmp/from_scwrl_769631803.pdb > /var/tmp/scwrl_769631803.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_769631803.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_1058998546.pdb -s /var/tmp/to_scwrl_1058998546.seq -o /var/tmp/from_scwrl_1058998546.pdb > /var/tmp/scwrl_1058998546.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1058998546.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_1216252953.pdb -s /var/tmp/to_scwrl_1216252953.seq -o /var/tmp/from_scwrl_1216252953.pdb > /var/tmp/scwrl_1216252953.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1216252953.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_84092897.pdb -s /var/tmp/to_scwrl_84092897.seq -o /var/tmp/from_scwrl_84092897.pdb > /var/tmp/scwrl_84092897.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_84092897.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_1075784936.pdb -s /var/tmp/to_scwrl_1075784936.seq -o /var/tmp/from_scwrl_1075784936.pdb > /var/tmp/scwrl_1075784936.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1075784936.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_240625295.pdb -s /var/tmp/to_scwrl_240625295.seq -o /var/tmp/from_scwrl_240625295.pdb > /var/tmp/scwrl_240625295.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_240625295.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_610227919.pdb -s /var/tmp/to_scwrl_610227919.seq -o /var/tmp/from_scwrl_610227919.pdb > /var/tmp/scwrl_610227919.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_610227919.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_1277498855.pdb -s /var/tmp/to_scwrl_1277498855.seq -o /var/tmp/from_scwrl_1277498855.pdb > /var/tmp/scwrl_1277498855.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1277498855.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_1856124415.pdb -s /var/tmp/to_scwrl_1856124415.seq -o /var/tmp/from_scwrl_1856124415.pdb > /var/tmp/scwrl_1856124415.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1856124415.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_743834648.pdb -s /var/tmp/to_scwrl_743834648.seq -o /var/tmp/from_scwrl_743834648.pdb > /var/tmp/scwrl_743834648.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_743834648.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_1611704771.pdb -s /var/tmp/to_scwrl_1611704771.seq -o /var/tmp/from_scwrl_1611704771.pdb > /var/tmp/scwrl_1611704771.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1611704771.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_333261838.pdb -s /var/tmp/to_scwrl_333261838.seq -o /var/tmp/from_scwrl_333261838.pdb > /var/tmp/scwrl_333261838.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_333261838.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_1187761610.pdb -s /var/tmp/to_scwrl_1187761610.seq -o /var/tmp/from_scwrl_1187761610.pdb > /var/tmp/scwrl_1187761610.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1187761610.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_1469095819.pdb -s /var/tmp/to_scwrl_1469095819.seq -o /var/tmp/from_scwrl_1469095819.pdb > /var/tmp/scwrl_1469095819.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1469095819.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_1069680544.pdb -s /var/tmp/to_scwrl_1069680544.seq -o /var/tmp/from_scwrl_1069680544.pdb > /var/tmp/scwrl_1069680544.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1069680544.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_238938172.pdb -s /var/tmp/to_scwrl_238938172.seq -o /var/tmp/from_scwrl_238938172.pdb > /var/tmp/scwrl_238938172.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_238938172.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_951927694.pdb -s /var/tmp/to_scwrl_951927694.seq -o /var/tmp/from_scwrl_951927694.pdb > /var/tmp/scwrl_951927694.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_951927694.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_1144794649.pdb -s /var/tmp/to_scwrl_1144794649.seq -o /var/tmp/from_scwrl_1144794649.pdb > /var/tmp/scwrl_1144794649.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1144794649.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_681604192.pdb -s /var/tmp/to_scwrl_681604192.seq -o /var/tmp/from_scwrl_681604192.pdb > /var/tmp/scwrl_681604192.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_681604192.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_1392555405.pdb -s /var/tmp/to_scwrl_1392555405.seq -o /var/tmp/from_scwrl_1392555405.pdb > /var/tmp/scwrl_1392555405.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1392555405.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_1372948289.pdb -s /var/tmp/to_scwrl_1372948289.seq -o /var/tmp/from_scwrl_1372948289.pdb > /var/tmp/scwrl_1372948289.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1372948289.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_1763555772.pdb -s /var/tmp/to_scwrl_1763555772.seq -o /var/tmp/from_scwrl_1763555772.pdb > /var/tmp/scwrl_1763555772.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1763555772.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_1423195124.pdb -s /var/tmp/to_scwrl_1423195124.seq -o /var/tmp/from_scwrl_1423195124.pdb > /var/tmp/scwrl_1423195124.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1423195124.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_1878454077.pdb -s /var/tmp/to_scwrl_1878454077.seq -o /var/tmp/from_scwrl_1878454077.pdb > /var/tmp/scwrl_1878454077.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1878454077.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_1755657662.pdb -s /var/tmp/to_scwrl_1755657662.seq -o /var/tmp/from_scwrl_1755657662.pdb > /var/tmp/scwrl_1755657662.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1755657662.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_754931758.pdb -s /var/tmp/to_scwrl_754931758.seq -o /var/tmp/from_scwrl_754931758.pdb > /var/tmp/scwrl_754931758.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_754931758.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_594562239.pdb -s /var/tmp/to_scwrl_594562239.seq -o /var/tmp/from_scwrl_594562239.pdb > /var/tmp/scwrl_594562239.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_594562239.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_1438464304.pdb -s /var/tmp/to_scwrl_1438464304.seq -o /var/tmp/from_scwrl_1438464304.pdb > /var/tmp/scwrl_1438464304.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1438464304.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_1519269832.pdb -s /var/tmp/to_scwrl_1519269832.seq -o /var/tmp/from_scwrl_1519269832.pdb > /var/tmp/scwrl_1519269832.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1519269832.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_1235563527.pdb -s /var/tmp/to_scwrl_1235563527.seq -o /var/tmp/from_scwrl_1235563527.pdb > /var/tmp/scwrl_1235563527.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1235563527.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_257932875.pdb -s /var/tmp/to_scwrl_257932875.seq -o /var/tmp/from_scwrl_257932875.pdb > /var/tmp/scwrl_257932875.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_257932875.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_141417989.pdb -s /var/tmp/to_scwrl_141417989.seq -o /var/tmp/from_scwrl_141417989.pdb > /var/tmp/scwrl_141417989.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_141417989.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_147078427.pdb -s /var/tmp/to_scwrl_147078427.seq -o /var/tmp/from_scwrl_147078427.pdb > /var/tmp/scwrl_147078427.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_147078427.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_1474185828.pdb -s /var/tmp/to_scwrl_1474185828.seq -o /var/tmp/from_scwrl_1474185828.pdb > /var/tmp/scwrl_1474185828.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1474185828.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_225510886.pdb -s /var/tmp/to_scwrl_225510886.seq -o /var/tmp/from_scwrl_225510886.pdb > /var/tmp/scwrl_225510886.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_225510886.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_1222863363.pdb -s /var/tmp/to_scwrl_1222863363.seq -o /var/tmp/from_scwrl_1222863363.pdb > /var/tmp/scwrl_1222863363.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1222863363.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_1714811123.pdb -s /var/tmp/to_scwrl_1714811123.seq -o /var/tmp/from_scwrl_1714811123.pdb > /var/tmp/scwrl_1714811123.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1714811123.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_835738805.pdb -s /var/tmp/to_scwrl_835738805.seq -o /var/tmp/from_scwrl_835738805.pdb > /var/tmp/scwrl_835738805.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_835738805.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_352878572.pdb -s /var/tmp/to_scwrl_352878572.seq -o /var/tmp/from_scwrl_352878572.pdb > /var/tmp/scwrl_352878572.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_352878572.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_1423451891.pdb -s /var/tmp/to_scwrl_1423451891.seq -o /var/tmp/from_scwrl_1423451891.pdb > /var/tmp/scwrl_1423451891.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1423451891.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_1579573453.pdb -s /var/tmp/to_scwrl_1579573453.seq -o /var/tmp/from_scwrl_1579573453.pdb > /var/tmp/scwrl_1579573453.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1579573453.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_1964583343.pdb -s /var/tmp/to_scwrl_1964583343.seq -o /var/tmp/from_scwrl_1964583343.pdb > /var/tmp/scwrl_1964583343.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1964583343.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_1756713729.pdb -s /var/tmp/to_scwrl_1756713729.seq -o /var/tmp/from_scwrl_1756713729.pdb > /var/tmp/scwrl_1756713729.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1756713729.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_619851417.pdb -s /var/tmp/to_scwrl_619851417.seq -o /var/tmp/from_scwrl_619851417.pdb > /var/tmp/scwrl_619851417.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_619851417.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_1286195515.pdb -s /var/tmp/to_scwrl_1286195515.seq -o /var/tmp/from_scwrl_1286195515.pdb > /var/tmp/scwrl_1286195515.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1286195515.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_678910626.pdb -s /var/tmp/to_scwrl_678910626.seq -o /var/tmp/from_scwrl_678910626.pdb > /var/tmp/scwrl_678910626.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_678910626.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_858789589.pdb -s /var/tmp/to_scwrl_858789589.seq -o /var/tmp/from_scwrl_858789589.pdb > /var/tmp/scwrl_858789589.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_858789589.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_90639562.pdb -s /var/tmp/to_scwrl_90639562.seq -o /var/tmp/from_scwrl_90639562.pdb > /var/tmp/scwrl_90639562.log Error: Couldn't open file /var/tmp/from_scwrl_90639562.pdb or /var/tmp/from_scwrl_90639562.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_90639562_b.pdb or decoys//var/tmp/from_scwrl_90639562_b.pdb.gz for input Trying /var/tmp/from_scwrl_90639562_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_90639562_b.pdb or /var/tmp/from_scwrl_90639562_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_90639562_a.pdb or decoys//var/tmp/from_scwrl_90639562_a.pdb.gz for input Trying /var/tmp/from_scwrl_90639562_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_90639562_a.pdb or /var/tmp/from_scwrl_90639562_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_90639562.pdb or /var/tmp/from_scwrl_90639562_b.pdb or /var/tmp/from_scwrl_90639562_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_1823705276.pdb -s /var/tmp/to_scwrl_1823705276.seq -o /var/tmp/from_scwrl_1823705276.pdb > /var/tmp/scwrl_1823705276.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1823705276.pdb # conformation set from SCWRL output # naming current conformation shub_TS1-scwrl # command:CPU_time= 48.4006 sec, elapsed time= 273.666 sec) # command:# Prefix for output files set to decoys/ # command:# Will now start reporting costs to decoys/evaluate.rdb # command:# CostConform Warning: Couldn't open file decoys//projects/compbio/experiments/undertaker/spots/near-backbone-center.spot or decoys//projects/compbio/experiments/undertaker/spots/near-backbone-center.spot.gz for input Trying /projects/compbio/experiments/undertaker/spots/near-backbone-center.spot # Reading spots from /projects/compbio/experiments/undertaker/spots/near-backbone-center.spot shub_TS1-scwrl costs 0 real_cost = -57.4876 shub_TS1 costs 0 real_cost = -36.063 panther2_TS1-scwrl costs 0 real_cost = -27.0427 nFOLD_TS5-scwrl costs 0 real_cost = 152.548 nFOLD_TS5 costs 0 real_cost = 249.087 nFOLD_TS4-scwrl costs 0 real_cost = 102.219 nFOLD_TS4 costs 0 real_cost = 205.799 nFOLD_TS3-scwrl costs 0 real_cost = 118.894 nFOLD_TS3 costs 0 real_cost = 229.375 nFOLD_TS2-scwrl costs 0 real_cost = 57.9702 nFOLD_TS2 costs 0 real_cost = 171.982 nFOLD_TS1-scwrl costs 0 real_cost = -65.4196 nFOLD_TS1 costs 0 real_cost = 58.7926 mGen-3D_TS1-scwrl costs 0 real_cost = -77.6065 mGen-3D_TS1 costs 0 real_cost = 49.5517 keasar-server_TS5-scwrl costs 0 real_cost = 71.5821 keasar-server_TS5 costs 0 real_cost = 84.7046 keasar-server_TS4-scwrl costs 0 real_cost = -47.308 keasar-server_TS4 costs 0 real_cost = -35.036 keasar-server_TS3-scwrl costs 0 real_cost = 30.1877 keasar-server_TS3 costs 0 real_cost = 33.6938 keasar-server_TS2-scwrl costs 0 real_cost = -67.876 keasar-server_TS2 costs 0 real_cost = -63.7342 keasar-server_TS1-scwrl costs 0 real_cost = 25.0425 keasar-server_TS1 costs 0 real_cost = 27.5955 karypis.srv_TS5-scwrl costs 0 real_cost = 70.2465 karypis.srv_TS5 costs 0 real_cost = 71.4298 karypis.srv_TS4-scwrl costs 0 real_cost = 41.2542 karypis.srv_TS4 costs 0 real_cost = 42.0595 karypis.srv_TS3-scwrl costs 0 real_cost = 23.1029 karypis.srv_TS3 costs 0 real_cost = 25.9543 karypis.srv_TS1-scwrl costs 0 real_cost = 25.4637 karypis.srv_TS1 costs 0 real_cost = 25.1422 karypis.srv.4_TS5-scwrl costs 0 real_cost = 326.846 karypis.srv.4_TS5 costs 0 real_cost = 327.091 karypis.srv.4_TS4-scwrl costs 0 real_cost = 257.378 karypis.srv.4_TS4 costs 0 real_cost = 260.098 karypis.srv.4_TS3-scwrl costs 0 real_cost = 310.111 karypis.srv.4_TS3 costs 0 real_cost = 310.715 karypis.srv.4_TS2-scwrl costs 0 real_cost = 265.191 karypis.srv.4_TS2 costs 0 real_cost = 265.083 karypis.srv.4_TS1-scwrl costs 0 real_cost = 292.864 karypis.srv.4_TS1 costs 0 real_cost = 296.169 karypis.srv.2_TS5-scwrl costs 0 real_cost = 30.1122 karypis.srv.2_TS5 costs 0 real_cost = 28.0347 karypis.srv.2_TS4-scwrl costs 0 real_cost = -21.0984 karypis.srv.2_TS4 costs 0 real_cost = -21.3727 karypis.srv.2_TS3-scwrl costs 0 real_cost = 37.7995 karypis.srv.2_TS3 costs 0 real_cost = 35.3089 karypis.srv.2_TS2-scwrl costs 0 real_cost = 38.6083 karypis.srv.2_TS2 costs 0 real_cost = 36.1297 karypis.srv.2_TS1-scwrl costs 0 real_cost = -8.28643 karypis.srv.2_TS1 costs 0 real_cost = -8.75596 forecast-s_AL5-scwrl costs 0 real_cost = 64.3362 forecast-s_AL5 costs 0 real_cost = 212.863 forecast-s_AL4-scwrl costs 0 real_cost = -48.1892 forecast-s_AL4 costs 0 real_cost = 118.223 forecast-s_AL3-scwrl costs 0 real_cost = 79.1653 forecast-s_AL3 costs 0 real_cost = 231.096 forecast-s_AL2-scwrl costs 0 real_cost = 54.2283 forecast-s_AL2 costs 0 real_cost = 204.647 forecast-s_AL1-scwrl costs 0 real_cost = 44.7112 forecast-s_AL1 costs 0 real_cost = 185.163 beautshotbase_TS1-scwrl costs 0 real_cost = -84.4429 beautshotbase_TS1 costs 0 real_cost = -78.7389 beautshot_TS1-scwrl costs 0 real_cost = -69.2429 beautshot_TS1 costs 0 real_cost = -67.3422 Zhang-Server_TS5-scwrl costs 0 real_cost = -99.9691 Zhang-Server_TS5 costs 0 real_cost = -99.1297 Zhang-Server_TS4-scwrl costs 0 real_cost = -108.207 Zhang-Server_TS4 costs 0 real_cost = -109.221 Zhang-Server_TS3-scwrl costs 0 real_cost = -116.201 Zhang-Server_TS3 costs 0 real_cost = -114.653 Zhang-Server_TS2-scwrl costs 0 real_cost = -113.512 Zhang-Server_TS2 costs 0 real_cost = -114.418 Zhang-Server_TS1-scwrl costs 0 real_cost = -106.622 Zhang-Server_TS1 costs 0 real_cost = -106.648 UNI-EID_sfst_AL5-scwrl costs 0 real_cost = 50.5544 UNI-EID_sfst_AL5 costs 0 real_cost = 186.225 UNI-EID_sfst_AL4-scwrl costs 0 real_cost = 68.493 UNI-EID_sfst_AL4 costs 0 real_cost = 206.181 UNI-EID_sfst_AL3-scwrl costs 0 real_cost = 4.97866 UNI-EID_sfst_AL3 costs 0 real_cost = 153.104 UNI-EID_sfst_AL2-scwrl costs 0 real_cost = 69.9733 UNI-EID_sfst_AL2 costs 0 real_cost = 207.59 UNI-EID_sfst_AL1-scwrl costs 0 real_cost = -79.6017 UNI-EID_sfst_AL1 costs 0 real_cost = 81.048 UNI-EID_expm_TS1-scwrl costs 0 real_cost = 39.5263 UNI-EID_expm_TS1 costs 0 real_cost = 39.5282 UNI-EID_bnmx_TS5-scwrl costs 0 real_cost = 35.4136 UNI-EID_bnmx_TS5 costs 0 real_cost = 181.694 UNI-EID_bnmx_TS4-scwrl costs 0 real_cost = 71.8655 UNI-EID_bnmx_TS4 costs 0 real_cost = 217.576 UNI-EID_bnmx_TS3-scwrl costs 0 real_cost = 12.8582 UNI-EID_bnmx_TS3 costs 0 real_cost = 164.571 UNI-EID_bnmx_TS2-scwrl costs 0 real_cost = 63.0675 UNI-EID_bnmx_TS2 costs 0 real_cost = 207.08 UNI-EID_bnmx_TS1-scwrl costs 0 real_cost = -79.6017 UNI-EID_bnmx_TS1 costs 0 real_cost = 81.048 SPARKS2_TS5-scwrl costs 0 real_cost = 14.597 SPARKS2_TS5 costs 0 real_cost = 20.63 SPARKS2_TS4-scwrl costs 0 real_cost = 59.6726 SPARKS2_TS4 costs 0 real_cost = 59.5664 SPARKS2_TS3-scwrl costs 0 real_cost = 40.23 SPARKS2_TS3 costs 0 real_cost = 44.8751 SPARKS2_TS2-scwrl costs 0 real_cost = -5.51086 SPARKS2_TS2 costs 0 real_cost = -1.07921 SPARKS2_TS1-scwrl costs 0 real_cost = -94.9577 SPARKS2_TS1 costs 0 real_cost = -83.7538 SP4_TS5-scwrl costs 0 real_cost = 38.9097 SP4_TS5 costs 0 real_cost = 45.7362 SP4_TS4-scwrl costs 0 real_cost = 4.20481 SP4_TS4 costs 0 real_cost = 4.92176 SP4_TS3-scwrl costs 0 real_cost = -13.2033 SP4_TS3 costs 0 real_cost = -2.6818 SP4_TS2-scwrl costs 0 real_cost = -20.1865 SP4_TS2 costs 0 real_cost = -19.0538 SP4_TS1-scwrl costs 0 real_cost = -97.6971 SP4_TS1 costs 0 real_cost = -90.0143 SP3_TS5-scwrl costs 0 real_cost = 56.7975 SP3_TS5 costs 0 real_cost = 56.3472 SP3_TS4-scwrl costs 0 real_cost = 4.20481 SP3_TS4 costs 0 real_cost = 4.92176 SP3_TS3-scwrl costs 0 real_cost = -8.47367 SP3_TS3 costs 0 real_cost = 1.85704 SP3_TS2-scwrl costs 0 real_cost = -16.3451 SP3_TS2 costs 0 real_cost = -9.20435 SP3_TS1-scwrl costs 0 real_cost = -93.8737 SP3_TS1 costs 0 real_cost = -88.5583 SAM_T06_server_TS5-scwrl costs 0 real_cost = 80.2989 SAM_T06_server_TS5 costs 0 real_cost = 57.7368 SAM_T06_server_TS4-scwrl costs 0 real_cost = 86.441 SAM_T06_server_TS4 costs 0 real_cost = 51.4427 SAM_T06_server_TS3-scwrl costs 0 real_cost = 175.433 SAM_T06_server_TS3 costs 0 real_cost = 132.376 SAM_T06_server_TS2-scwrl costs 0 real_cost = 172.988 SAM_T06_server_TS2 costs 0 real_cost = 125.705 SAM_T06_server_TS1-scwrl costs 0 real_cost = -33.8502 SAM_T06_server_TS1 costs 0 real_cost = -34.4148 SAM-T99_AL5-scwrl costs 0 real_cost = 50.4837 SAM-T99_AL5 costs 0 real_cost = 184.383 SAM-T99_AL4-scwrl costs 0 real_cost = 54.5159 SAM-T99_AL4 costs 0 real_cost = 185.14 SAM-T99_AL3-scwrl costs 0 real_cost = -44.789 SAM-T99_AL3 costs 0 real_cost = 100.087 SAM-T99_AL2-scwrl costs 0 real_cost = 39.2434 SAM-T99_AL2 costs 0 real_cost = 183.204 SAM-T99_AL1-scwrl costs 0 real_cost = 46.2529 SAM-T99_AL1 costs 0 real_cost = 187.868 SAM-T02_AL5-scwrl costs 0 real_cost = -4.85532 SAM-T02_AL5 costs 0 real_cost = 146.741 SAM-T02_AL4-scwrl costs 0 real_cost = 111.917 SAM-T02_AL4 costs 0 real_cost = 234.17 SAM-T02_AL3-scwrl costs 0 real_cost = 57.4815 SAM-T02_AL3 costs 0 real_cost = 192.431 SAM-T02_AL2-scwrl costs 0 real_cost = 40.1694 SAM-T02_AL2 costs 0 real_cost = 182.795 SAM-T02_AL1-scwrl costs 0 real_cost = -58.6552 SAM-T02_AL1 costs 0 real_cost = 88.7849 ROKKY_TS5-scwrl costs 0 real_cost = 8.20576 ROKKY_TS5 costs 0 real_cost = 20.9653 ROKKY_TS4-scwrl costs 0 real_cost = 53.6876 ROKKY_TS4 costs 0 real_cost = 56.3333 ROKKY_TS3-scwrl costs 0 real_cost = 10.1009 ROKKY_TS3 costs 0 real_cost = 17.641 ROKKY_TS2-scwrl costs 0 real_cost = 72.505 ROKKY_TS2 costs 0 real_cost = 74.6396 ROKKY_TS1-scwrl costs 0 real_cost = -90.0701 ROKKY_TS1 costs 0 real_cost = -79.9856 ROBETTA_TS5-scwrl costs 0 real_cost = -88.249 ROBETTA_TS5 costs 0 real_cost = -83.2805 ROBETTA_TS4-scwrl costs 0 real_cost = -116.559 ROBETTA_TS4 costs 0 real_cost = -112.215 ROBETTA_TS3-scwrl costs 0 real_cost = -118.434 ROBETTA_TS3 costs 0 real_cost = -115.631 ROBETTA_TS2-scwrl costs 0 real_cost = -92.0624 ROBETTA_TS2 costs 0 real_cost = -89.9859 ROBETTA_TS1-scwrl costs 0 real_cost = -101.613 ROBETTA_TS1 costs 0 real_cost = -101.074 RAPTOR_TS5-scwrl costs 0 real_cost = 69.478 RAPTOR_TS5 costs 0 real_cost = 68.1202 RAPTOR_TS4-scwrl costs 0 real_cost = -10.2224 RAPTOR_TS4 costs 0 real_cost = -11.5314 RAPTOR_TS3-scwrl costs 0 real_cost = -25.1053 RAPTOR_TS3 costs 0 real_cost = -13.7277 RAPTOR_TS2-scwrl costs 0 real_cost = 17.3162 RAPTOR_TS2 costs 0 real_cost = 25.048 RAPTOR_TS1-scwrl costs 0 real_cost = 14.7046 RAPTOR_TS1 costs 0 real_cost = 16.0881 RAPTORESS_TS5-scwrl costs 0 real_cost = 64.93 RAPTORESS_TS5 costs 0 real_cost = 68.8493 RAPTORESS_TS4-scwrl costs 0 real_cost = 6.38215 RAPTORESS_TS4 costs 0 real_cost = 13.3455 RAPTORESS_TS3-scwrl costs 0 real_cost = -0.853558 RAPTORESS_TS3 costs 0 real_cost = 9.27315 RAPTORESS_TS2-scwrl costs 0 real_cost = 24.9656 RAPTORESS_TS2 costs 0 real_cost = 36.5589 RAPTORESS_TS1-scwrl costs 0 real_cost = 33.5638 RAPTORESS_TS1 costs 0 real_cost = 39.9305 RAPTOR-ACE_TS5-scwrl costs 0 real_cost = 44.0597 RAPTOR-ACE_TS5 costs 0 real_cost = 51.2773 RAPTOR-ACE_TS4-scwrl costs 0 real_cost = -91.1139 RAPTOR-ACE_TS4 costs 0 real_cost = -85.0921 RAPTOR-ACE_TS3-scwrl costs 0 real_cost = -95.2656 RAPTOR-ACE_TS3 costs 0 real_cost = -84.0729 RAPTOR-ACE_TS2-scwrl costs 0 real_cost = -89.7569 RAPTOR-ACE_TS2 costs 0 real_cost = -79.4247 RAPTOR-ACE_TS1-scwrl costs 0 real_cost = -93.4451 RAPTOR-ACE_TS1 costs 0 real_cost = -71.7297 Pmodeller6_TS5-scwrl costs 0 real_cost = 62.3519 Pmodeller6_TS5 costs 0 real_cost = 61.5348 Pmodeller6_TS4-scwrl costs 0 real_cost = -60.4864 Pmodeller6_TS4 costs 0 real_cost = -68.2239 Pmodeller6_TS3-scwrl costs 0 real_cost = -102.71 Pmodeller6_TS3 costs 0 real_cost = -104.153 Pmodeller6_TS2-scwrl costs 0 real_cost = -88.249 Pmodeller6_TS2 costs 0 real_cost = -83.2805 Pmodeller6_TS1-scwrl costs 0 real_cost = -116.559 Pmodeller6_TS1 costs 0 real_cost = -112.215 Phyre-2_TS5-scwrl costs 0 real_cost = 21.3541 Phyre-2_TS5 costs 0 real_cost = 24.4458 Phyre-2_TS4-scwrl costs 0 real_cost = 2.23414 Phyre-2_TS4 costs 0 real_cost = 1.60701 Phyre-2_TS3-scwrl costs 0 real_cost = -1.01332 Phyre-2_TS3 costs 0 real_cost = -4.24821 Phyre-2_TS2-scwrl costs 0 real_cost = -7.25998 Phyre-2_TS2 costs 0 real_cost = -5.4063 Phyre-2_TS1-scwrl costs 0 real_cost = -97.9371 Phyre-2_TS1 costs 0 real_cost = -93.8075 Phyre-1_TS1-scwrl costs 0 real_cost = -24.7296 Phyre-1_TS1 costs 0 real_cost = -39.2809 Pcons6_TS5-scwrl costs 0 real_cost = -5.85373 Pcons6_TS5 costs 0 real_cost = -18.2529 Pcons6_TS4-scwrl costs 0 real_cost = 29.8184 Pcons6_TS4 costs 0 real_cost = 27.3384 Pcons6_TS3-scwrl costs 0 real_cost = -76.9692 Pcons6_TS3 costs 0 real_cost = -87.7106 Pcons6_TS2-scwrl costs 0 real_cost = -98.1799 Pcons6_TS2 costs 0 real_cost = -97.1874 Pcons6_TS1-scwrl costs 0 real_cost = -99.3012 Pcons6_TS1 costs 0 real_cost = -102.129 PROTINFO_TS5-scwrl costs 0 real_cost = -111.335 PROTINFO_TS5 costs 0 real_cost = -108.372 PROTINFO_TS4-scwrl costs 0 real_cost = 87.3313 PROTINFO_TS4 costs 0 real_cost = 92.707 PROTINFO_TS3-scwrl costs 0 real_cost = 21.2236 PROTINFO_TS3 costs 0 real_cost = 23.0494 PROTINFO_TS2-scwrl costs 0 real_cost = -9.1859 PROTINFO_TS2 costs 0 real_cost = -8.23874 PROTINFO_TS1-scwrl costs 0 real_cost = -29.1468 PROTINFO_TS1 costs 0 real_cost = -24.8373 PROTINFO-AB_TS5-scwrl costs 0 real_cost = 87.3313 PROTINFO-AB_TS5 costs 0 real_cost = 92.707 PROTINFO-AB_TS4-scwrl costs 0 real_cost = -30.534 PROTINFO-AB_TS4 costs 0 real_cost = -24.7298 PROTINFO-AB_TS3-scwrl costs 0 real_cost = -30.0228 PROTINFO-AB_TS3 costs 0 real_cost = -29.614 PROTINFO-AB_TS2-scwrl costs 0 real_cost = -30.2637 PROTINFO-AB_TS2 costs 0 real_cost = -26.3538 PROTINFO-AB_TS1-scwrl costs 0 real_cost = -29.8349 PROTINFO-AB_TS1 costs 0 real_cost = -25.7483 NN_PUT_lab_TS1-scwrl costs 0 real_cost = -53.2245 NN_PUT_lab_TS1 costs 0 real_cost = -54.0861 MetaTasser_TS5-scwrl costs 0 real_cost = 20.4132 MetaTasser_TS5 costs 0 real_cost = 29.9606 MetaTasser_TS4-scwrl costs 0 real_cost = 19.9359 MetaTasser_TS4 costs 0 real_cost = 20.5776 MetaTasser_TS3-scwrl costs 0 real_cost = -21.1854 MetaTasser_TS3 costs 0 real_cost = -17.5701 MetaTasser_TS2-scwrl costs 0 real_cost = -77.5763 MetaTasser_TS2 costs 0 real_cost = -74.9772 MetaTasser_TS1-scwrl costs 0 real_cost = -59.1495 MetaTasser_TS1 costs 0 real_cost = -56.0022 Ma-OPUS-server_TS5-scwrl costs 0 real_cost = 53.6328 Ma-OPUS-server_TS5 costs 0 real_cost = 50.4164 Ma-OPUS-server_TS4-scwrl costs 0 real_cost = 39.891 Ma-OPUS-server_TS4 costs 0 real_cost = 42.2512 Ma-OPUS-server_TS3-scwrl costs 0 real_cost = -22.0199 Ma-OPUS-server_TS3 costs 0 real_cost = -18.3599 Ma-OPUS-server_TS2-scwrl costs 0 real_cost = -69.0574 Ma-OPUS-server_TS2 costs 0 real_cost = -59.7297 Ma-OPUS-server_TS1-scwrl costs 0 real_cost = -83.3582 Ma-OPUS-server_TS1 costs 0 real_cost = -75.2564 Ma-OPUS-server2_TS5-scwrl costs 0 real_cost = -26.6916 Ma-OPUS-server2_TS5 costs 0 real_cost = -11.1711 Ma-OPUS-server2_TS4-scwrl costs 0 real_cost = -72.2354 Ma-OPUS-server2_TS4 costs 0 real_cost = -72.2066 Ma-OPUS-server2_TS3-scwrl costs 0 real_cost = -69.0574 Ma-OPUS-server2_TS3 costs 0 real_cost = -59.7297 Ma-OPUS-server2_TS2-scwrl costs 0 real_cost = -68.8254 Ma-OPUS-server2_TS2 costs 0 real_cost = -62.4002 Ma-OPUS-server2_TS1-scwrl costs 0 real_cost = -84.0691 Ma-OPUS-server2_TS1 costs 0 real_cost = -68.3377 MIG_FROST_AL1-scwrl costs 0 real_cost = 531.106 MIG_FROST_AL1 costs 0 real_cost = 487.851 LOOPP_TS5-scwrl costs 0 real_cost = 41.7114 LOOPP_TS5 costs 0 real_cost = 41.5465 LOOPP_TS4-scwrl costs 0 real_cost = 37.2591 LOOPP_TS4 costs 0 real_cost = 45.207 LOOPP_TS3-scwrl costs 0 real_cost = 60.6153 LOOPP_TS3 costs 0 real_cost = 58.7615 LOOPP_TS2-scwrl costs 0 real_cost = -8.22943 LOOPP_TS2 costs 0 real_cost = -13.1316 LOOPP_TS1-scwrl costs 0 real_cost = -53.2245 LOOPP_TS1 costs 0 real_cost = -54.0861 Huber-Torda-Server_TS5-scwrl costs 0 real_cost = 14.1512 Huber-Torda-Server_TS5 costs 0 real_cost = 113.556 Huber-Torda-Server_TS4-scwrl costs 0 real_cost = 114.727 Huber-Torda-Server_TS4 costs 0 real_cost = 195.522 Huber-Torda-Server_TS3-scwrl costs 0 real_cost = 179.291 Huber-Torda-Server_TS3 costs 0 real_cost = 248.723 Huber-Torda-Server_TS2-scwrl costs 0 real_cost = 149.754 Huber-Torda-Server_TS2 costs 0 real_cost = 245.22 Huber-Torda-Server_TS1-scwrl costs 0 real_cost = -13.0955 Huber-Torda-Server_TS1 costs 0 real_cost = 91.139 HHpred3_TS1-scwrl costs 0 real_cost = -15.4636 HHpred3_TS1 costs 0 real_cost = -5.26741 HHpred2_TS1-scwrl costs 0 real_cost = -36.4591 HHpred2_TS1 costs 0 real_cost = -26.3874 HHpred1_TS1-scwrl costs 0 real_cost = -81.6815 HHpred1_TS1 costs 0 real_cost = -80.8749 GeneSilicoMetaServer_TS5-scwrl costs 0 real_cost = -76.8664 GeneSilicoMetaServer_TS5 costs 0 real_cost = -70.1801 GeneSilicoMetaServer_TS4-scwrl costs 0 real_cost = -82.3183 GeneSilicoMetaServer_TS4 costs 0 real_cost = -76.9582 GeneSilicoMetaServer_TS2-scwrl costs 0 real_cost = -93.2407 GeneSilicoMetaServer_TS2 costs 0 real_cost = -79.2576 GeneSilicoMetaServer_TS1-scwrl costs 0 real_cost = -81.4355 GeneSilicoMetaServer_TS1 costs 0 real_cost = -75.2287 Frankenstein_TS5-scwrl costs 0 real_cost = 248.814 Frankenstein_TS5 costs 0 real_cost = 243.437 Frankenstein_TS4-scwrl costs 0 real_cost = 251.558 Frankenstein_TS4 costs 0 real_cost = 250.195 Frankenstein_TS3-scwrl costs 0 real_cost = 298.086 Frankenstein_TS3 costs 0 real_cost = 303.54 Frankenstein_TS2-scwrl costs 0 real_cost = 321.29 Frankenstein_TS2 costs 0 real_cost = 327.909 Frankenstein_TS1-scwrl costs 0 real_cost = 131.455 Frankenstein_TS1 costs 0 real_cost = 134.615 FUNCTION_TS5-scwrl costs 0 real_cost = -2.22989 FUNCTION_TS5 costs 0 real_cost = 7.90978 FUNCTION_TS4-scwrl costs 0 real_cost = -50.0602 FUNCTION_TS4 costs 0 real_cost = -61.9722 FUNCTION_TS3-scwrl costs 0 real_cost = -33.5857 FUNCTION_TS3 costs 0 real_cost = -28.6721 FUNCTION_TS2-scwrl costs 0 real_cost = -51.5448 FUNCTION_TS2 costs 0 real_cost = -50.6559 FUNCTION_TS1-scwrl costs 0 real_cost = -29.5658 FUNCTION_TS1 costs 0 real_cost = -29.7498 FUGUE_AL5-scwrl costs 0 real_cost = 102.434 FUGUE_AL5 costs 0 real_cost = 236.198 FUGUE_AL4-scwrl costs 0 real_cost = 143.151 FUGUE_AL4 costs 0 real_cost = 275.334 FUGUE_AL3-scwrl costs 0 real_cost = 42.201 FUGUE_AL3 costs 0 real_cost = 183.899 FUGUE_AL2-scwrl costs 0 real_cost = 93.524 FUGUE_AL2 costs 0 real_cost = 245.867 FUGUE_AL1-scwrl costs 0 real_cost = -77.7902 FUGUE_AL1 costs 0 real_cost = 84.5709 FUGMOD_TS5-scwrl costs 0 real_cost = 87.6953 FUGMOD_TS5 costs 0 real_cost = 88.9961 FUGMOD_TS4-scwrl costs 0 real_cost = 86.2177 FUGMOD_TS4 costs 0 real_cost = 87.5538 FUGMOD_TS3-scwrl costs 0 real_cost = 30.2866 FUGMOD_TS3 costs 0 real_cost = 39.4775 FUGMOD_TS2-scwrl costs 0 real_cost = 86.4767 FUGMOD_TS2 costs 0 real_cost = 92.552 FUGMOD_TS1-scwrl costs 0 real_cost = -103.654 FUGMOD_TS1 costs 0 real_cost = -98.3341 FPSOLVER-SERVER_TS5-scwrl costs 0 real_cost = 320.115 FPSOLVER-SERVER_TS5 costs 0 real_cost = 327.938 FPSOLVER-SERVER_TS4-scwrl costs 0 real_cost = 300.935 FPSOLVER-SERVER_TS4 costs 0 real_cost = 306.6 FPSOLVER-SERVER_TS3-scwrl costs 0 real_cost = 291.234 FPSOLVER-SERVER_TS3 costs 0 real_cost = 299.369 FPSOLVER-SERVER_TS2-scwrl costs 0 real_cost = 315.469 FPSOLVER-SERVER_TS2 costs 0 real_cost = 320.556 FPSOLVER-SERVER_TS1-scwrl costs 0 real_cost = 340.062 FPSOLVER-SERVER_TS1 costs 0 real_cost = 341.378 FORTE2_AL5-scwrl costs 0 real_cost = 136.459 FORTE2_AL5 costs 0 real_cost = 276.046 FORTE2_AL4-scwrl costs 0 real_cost = 294.14 FORTE2_AL4 costs 0 real_cost = 462.183 FORTE2_AL3-scwrl costs 0 real_cost = 74.8179 FORTE2_AL3 costs 0 real_cost = 220.848 FORTE2_AL2-scwrl costs 0 real_cost = 46.8601 FORTE2_AL2 costs 0 real_cost = 199.293 FORTE2_AL1-scwrl costs 0 real_cost = 114.598 FORTE2_AL1 costs 0 real_cost = 254.223 FORTE1_AL5-scwrl costs 0 real_cost = 74.8179 FORTE1_AL5 costs 0 real_cost = 220.848 FORTE1_AL4-scwrl costs 0 real_cost = 294.14 FORTE1_AL4 costs 0 real_cost = 462.183 FORTE1_AL3-scwrl costs 0 real_cost = 80.7602 FORTE1_AL3 costs 0 real_cost = 237.602 FORTE1_AL2-scwrl costs 0 real_cost = 114.598 FORTE1_AL2 costs 0 real_cost = 254.223 FORTE1_AL1-scwrl costs 0 real_cost = 41.8533 FORTE1_AL1 costs 0 real_cost = 194.891 FOLDpro_TS5-scwrl costs 0 real_cost = -9.80616 FOLDpro_TS5 costs 0 real_cost = -15.1158 FOLDpro_TS4-scwrl costs 0 real_cost = -12.5901 FOLDpro_TS4 costs 0 real_cost = -17.1092 FOLDpro_TS3-scwrl costs 0 real_cost = -24.2562 FOLDpro_TS3 costs 0 real_cost = -22.4028 FOLDpro_TS2-scwrl costs 0 real_cost = -47.8897 FOLDpro_TS2 costs 0 real_cost = -33.2775 FOLDpro_TS1-scwrl costs 0 real_cost = -62.2783 FOLDpro_TS1 costs 0 real_cost = -58.291 FAMS_TS5-scwrl costs 0 real_cost = 9.28441 FAMS_TS5 costs 0 real_cost = 10.5385 FAMS_TS4-scwrl costs 0 real_cost = -9.67757 FAMS_TS4 costs 0 real_cost = -1.82857 FAMS_TS3-scwrl costs 0 real_cost = 86.3992 FAMS_TS3 costs 0 real_cost = 89.9415 FAMS_TS2-scwrl costs 0 real_cost = -71.1177 FAMS_TS2 costs 0 real_cost = -69.6588 FAMS_TS1-scwrl costs 0 real_cost = -78.7696 FAMS_TS1 costs 0 real_cost = -80.7808 FAMSD_TS5-scwrl costs 0 real_cost = -14.9794 FAMSD_TS5 costs 0 real_cost = -4.61674 FAMSD_TS4-scwrl costs 0 real_cost = -48.6371 FAMSD_TS4 costs 0 real_cost = -48.2422 FAMSD_TS3-scwrl costs 0 real_cost = -84.0786 FAMSD_TS3 costs 0 real_cost = -75.1144 FAMSD_TS2-scwrl costs 0 real_cost = -77.705 FAMSD_TS2 costs 0 real_cost = -79.0901 FAMSD_TS1-scwrl costs 0 real_cost = -85.0915 FAMSD_TS1 costs 0 real_cost = -77.3687 Distill_TS5-scwrl costs 0 real_cost = 430.957 Distill_TS4-scwrl costs 0 real_cost = 431.745 Distill_TS3-scwrl costs 0 real_cost = 413.671 Distill_TS2-scwrl costs 0 real_cost = 416.098 Distill_TS1-scwrl costs 0 real_cost = 404.658 CaspIta-FOX_TS5-scwrl costs 0 real_cost = 8.73721 CaspIta-FOX_TS5 costs 0 real_cost = 15.3279 CaspIta-FOX_TS4-scwrl costs 0 real_cost = 69.5725 CaspIta-FOX_TS4 costs 0 real_cost = 71.3231 CaspIta-FOX_TS3-scwrl costs 0 real_cost = 113.521 CaspIta-FOX_TS3 costs 0 real_cost = 112.113 CaspIta-FOX_TS2-scwrl costs 0 real_cost = 57.4408 CaspIta-FOX_TS2 costs 0 real_cost = 56.0019 CaspIta-FOX_TS1-scwrl costs 0 real_cost = -83.2077 CaspIta-FOX_TS1 costs 0 real_cost = -86.3826 CPHmodels_TS1-scwrl costs 0 real_cost = 13.1067 CPHmodels_TS1 costs 0 real_cost = 6.19694 CIRCLE_TS5-scwrl costs 0 real_cost = 86.3992 CIRCLE_TS5 costs 0 real_cost = 89.9415 CIRCLE_TS4-scwrl costs 0 real_cost = -71.1177 CIRCLE_TS4 costs 0 real_cost = -69.6588 CIRCLE_TS3-scwrl costs 0 real_cost = 9.28441 CIRCLE_TS3 costs 0 real_cost = 10.5385 CIRCLE_TS2-scwrl costs 0 real_cost = 0.913661 CIRCLE_TS2 costs 0 real_cost = -5.53068 CIRCLE_TS1-scwrl costs 0 real_cost = -9.67757 CIRCLE_TS1 costs 0 real_cost = -1.82857 Bilab-ENABLE_TS5-scwrl costs 0 real_cost = 13.3158 Bilab-ENABLE_TS5 costs 0 real_cost = 15.8386 Bilab-ENABLE_TS4-scwrl costs 0 real_cost = 16.3447 Bilab-ENABLE_TS4 costs 0 real_cost = 13.6591 Bilab-ENABLE_TS3-scwrl costs 0 real_cost = 34.315 Bilab-ENABLE_TS3 costs 0 real_cost = 34.4503 Bilab-ENABLE_TS2-scwrl costs 0 real_cost = 93.7437 Bilab-ENABLE_TS2 costs 0 real_cost = 93.5962 Bilab-ENABLE_TS1-scwrl costs 0 real_cost = -85.712 Bilab-ENABLE_TS1 costs 0 real_cost = -82.8752 BayesHH_TS1-scwrl costs 0 real_cost = -29.9456 BayesHH_TS1 costs 0 real_cost = -26.5751 ABIpro_TS5-scwrl costs 0 real_cost = 243.479 ABIpro_TS5 costs 0 real_cost = 244.741 ABIpro_TS4-scwrl costs 0 real_cost = 214.567 ABIpro_TS4 costs 0 real_cost = 212.918 ABIpro_TS3-scwrl costs 0 real_cost = 234.344 ABIpro_TS3 costs 0 real_cost = 234.735 ABIpro_TS2-scwrl costs 0 real_cost = 241.001 ABIpro_TS2 costs 0 real_cost = 238.864 ABIpro_TS1-scwrl costs 0 real_cost = 202.583 ABIpro_TS1 costs 0 real_cost = 205.448 3Dpro_TS5-scwrl costs 0 real_cost = -27.5917 3Dpro_TS5 costs 0 real_cost = -27.8438 3Dpro_TS4-scwrl costs 0 real_cost = -47.4064 3Dpro_TS4 costs 0 real_cost = -41.7448 3Dpro_TS3-scwrl costs 0 real_cost = -32.8938 3Dpro_TS3 costs 0 real_cost = -26.5332 3Dpro_TS2-scwrl costs 0 real_cost = -53.141 3Dpro_TS2 costs 0 real_cost = -42.001 3Dpro_TS1-scwrl costs 0 real_cost = -55.5692 3Dpro_TS1 costs 0 real_cost = -43.9773 3D-JIGSAW_TS5-scwrl costs 0 real_cost = 40.7684 3D-JIGSAW_TS5 costs 0 real_cost = 33.7411 3D-JIGSAW_TS4-scwrl costs 0 real_cost = 41.5669 3D-JIGSAW_TS4 costs 0 real_cost = 41.1613 3D-JIGSAW_TS3-scwrl costs 0 real_cost = 39.1315 3D-JIGSAW_TS3 costs 0 real_cost = 42.8462 3D-JIGSAW_TS2-scwrl costs 0 real_cost = 47.3185 3D-JIGSAW_TS2 costs 0 real_cost = 56.3631 3D-JIGSAW_TS1-scwrl costs 0 real_cost = -6.91743 3D-JIGSAW_TS1 costs 0 real_cost = -16.9949 3D-JIGSAW_RECOM_TS5-scwrl costs 0 real_cost = 44.7844 3D-JIGSAW_RECOM_TS5 costs 0 real_cost = 35.3108 3D-JIGSAW_RECOM_TS4-scwrl costs 0 real_cost = 41.5428 3D-JIGSAW_RECOM_TS4 costs 0 real_cost = 38.9119 3D-JIGSAW_RECOM_TS3-scwrl costs 0 real_cost = 40.2268 3D-JIGSAW_RECOM_TS3 costs 0 real_cost = 32.5507 3D-JIGSAW_RECOM_TS2-scwrl costs 0 real_cost = 2.39935 3D-JIGSAW_RECOM_TS2 costs 0 real_cost = -4.7136 3D-JIGSAW_RECOM_TS1-scwrl costs 0 real_cost = 15.513 3D-JIGSAW_RECOM_TS1 costs 0 real_cost = 11.6681 3D-JIGSAW_POPULUS_TS5-scwrl costs 0 real_cost = 59.9589 3D-JIGSAW_POPULUS_TS5 costs 0 real_cost = 57.0109 3D-JIGSAW_POPULUS_TS4-scwrl costs 0 real_cost = 23.4166 3D-JIGSAW_POPULUS_TS4 costs 0 real_cost = 16.9118 3D-JIGSAW_POPULUS_TS3-scwrl costs 0 real_cost = -5.11052 3D-JIGSAW_POPULUS_TS3 costs 0 real_cost = -18.5291 3D-JIGSAW_POPULUS_TS2-scwrl costs 0 real_cost = -1.05486 3D-JIGSAW_POPULUS_TS2 costs 0 real_cost = -13.7001 3D-JIGSAW_POPULUS_TS1-scwrl costs 0 real_cost = 11.713 3D-JIGSAW_POPULUS_TS1 costs 0 real_cost = 1.51191 T0379.try9-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 49.8713 T0379.try9-opt2.pdb.gz costs 0 real_cost = 50.8754 T0379.try9-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = 50.7197 T0379.try9-opt2.gromacs0.pdb.gz costs 0 real_cost = 53.977 T0379.try9-opt1.pdb.gz costs 0 real_cost = 50.4523 T0379.try9-opt1-scwrl.pdb.gz costs 0 real_cost = 47.0921 T0379.try8-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 50.2258 T0379.try8-opt2.pdb.gz costs 0 real_cost = 51.744 T0379.try8-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = 51.192 T0379.try8-opt2.gromacs0.pdb.gz costs 0 real_cost = 55.2507 T0379.try8-opt1.pdb.gz costs 0 real_cost = 51.9658 T0379.try8-opt1-scwrl.pdb.gz costs 0 real_cost = 49.4263 T0379.try7-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 52.6566 T0379.try7-opt2.pdb.gz costs 0 real_cost = 51.6601 T0379.try7-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = 53.6312 T0379.try7-opt2.gromacs0.pdb.gz costs 0 real_cost = 54.265 T0379.try7-opt1.pdb.gz costs 0 real_cost = 56.9608 T0379.try7-opt1-scwrl.pdb.gz costs 0 real_cost = 58.2788 T0379.try6-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 71.7728 T0379.try6-opt2.pdb.gz costs 0 real_cost = 67.9518 T0379.try6-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = 69.0312 T0379.try6-opt2.gromacs0.pdb.gz costs 0 real_cost = 69.0568 T0379.try6-opt1.pdb.gz costs 0 real_cost = 69.5941 T0379.try6-opt1-scwrl.pdb.gz costs 0 real_cost = 69.723 T0379.try5-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 49.1188 T0379.try5-opt2.pdb.gz costs 0 real_cost = 45.1262 T0379.try5-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = 48.1339 T0379.try5-opt2.gromacs0.pdb.gz costs 0 real_cost = 44.5475 T0379.try5-opt1.pdb.gz costs 0 real_cost = 45.2992 T0379.try5-opt1-scwrl.pdb.gz costs 0 real_cost = 45.6583 T0379.try4-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 25.3908 T0379.try4-opt2.pdb.gz costs 0 real_cost = 26.9483 T0379.try4-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = 22.5589 T0379.try4-opt2.gromacs0.pdb.gz costs 0 real_cost = 25.1975 T0379.try4-opt1.pdb.gz costs 0 real_cost = 30.6121 T0379.try4-opt1-scwrl.pdb.gz costs 0 real_cost = 28.9655 T0379.try3-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -87.3551 T0379.try3-opt2.pdb.gz costs 0 real_cost = -87.4216 T0379.try3-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = -87.1375 T0379.try3-opt2.gromacs0.pdb.gz costs 0 real_cost = -87.698 T0379.try3-opt1.pdb.gz costs 0 real_cost = -84.3319 T0379.try3-opt1-scwrl.pdb.gz costs 0 real_cost = -84.7673 T0379.try29-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 83.2712 T0379.try29-opt2.pdb.gz costs 0 real_cost = 82.664 T0379.try29-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = 85.5813 T0379.try29-opt2.gromacs0.pdb.gz costs 0 real_cost = 86.0769 T0379.try29-opt1.pdb.gz costs 0 real_cost = 78.7363 T0379.try29-opt1-scwrl.pdb.gz costs 0 real_cost = 79.8959 T0379.try28-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -111.969 T0379.try28-opt2.pdb.gz costs 0 real_cost = -113.032 T0379.try28-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = -110.71 T0379.try28-opt2.gromacs0.pdb.gz costs 0 real_cost = -111.657 T0379.try28-opt1.pdb.gz costs 0 real_cost = -113.25 T0379.try28-opt1-scwrl.pdb.gz costs 0 real_cost = -111.189 T0379.try27-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -111.675 T0379.try27-opt2.pdb.gz costs 0 real_cost = -113.284 T0379.try27-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = -109.741 T0379.try27-opt2.gromacs0.pdb.gz costs 0 real_cost = -111.974 T0379.try27-opt1.pdb.gz costs 0 real_cost = -111.813 T0379.try27-opt1-scwrl.pdb.gz costs 0 real_cost = -111.47 T0379.try26-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -110.95 T0379.try26-opt2.pdb.gz costs 0 real_cost = -110.683 T0379.try26-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = -107.065 T0379.try26-opt2.gromacs0.pdb.gz costs 0 real_cost = -110.176 T0379.try26-opt1.pdb.gz costs 0 real_cost = -111.135 T0379.try26-opt1-scwrl.pdb.gz costs 0 real_cost = -110.808 T0379.try25-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -103.221 T0379.try25-opt2.pdb.gz costs 0 real_cost = -103.93 T0379.try25-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = -102.557 T0379.try25-opt2.gromacs0.pdb.gz costs 0 real_cost = -100.633 T0379.try25-opt1.pdb.gz costs 0 real_cost = -100.853 T0379.try25-opt1-scwrl.pdb.gz costs 0 real_cost = -101.064 T0379.try24-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -110.483 T0379.try24-opt2.pdb.gz costs 0 real_cost = -112.494 T0379.try24-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = -111.528 T0379.try24-opt2.gromacs0.pdb.gz costs 0 real_cost = -111.7 T0379.try24-opt1.pdb.gz costs 0 real_cost = -110.906 T0379.try24-opt1-scwrl.pdb.gz costs 0 real_cost = -111.429 T0379.try23-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -103.366 T0379.try23-opt2.pdb.gz costs 0 real_cost = -102.969 T0379.try23-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = -103.277 T0379.try23-opt2.gromacs0.pdb.gz costs 0 real_cost = -102.583 T0379.try23-opt1.pdb.gz costs 0 real_cost = -102.294 T0379.try23-opt1-scwrl.pdb.gz costs 0 real_cost = -102.636 T0379.try22-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -105.109 T0379.try22-opt2.pdb.gz costs 0 real_cost = -103.206 T0379.try22-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = -103.571 T0379.try22-opt2.gromacs0.pdb.gz costs 0 real_cost = -103.775 T0379.try22-opt1.pdb.gz costs 0 real_cost = -103.414 T0379.try22-opt1-scwrl.pdb.gz costs 0 real_cost = -100.724 T0379.try21-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -109.414 T0379.try21-opt2.pdb.gz costs 0 real_cost = -110.73 T0379.try21-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = -109.246 T0379.try21-opt2.gromacs0.pdb.gz costs 0 real_cost = -109.842 T0379.try21-opt1.pdb.gz costs 0 real_cost = -109.464 T0379.try21-opt1-scwrl.pdb.gz costs 0 real_cost = -111.472 T0379.try20-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -107.798 T0379.try20-opt2.pdb.gz costs 0 real_cost = -108.244 T0379.try20-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = -107.171 T0379.try20-opt2.gromacs0.pdb.gz costs 0 real_cost = -105.783 T0379.try20-opt1.pdb.gz costs 0 real_cost = -108.653 T0379.try20-opt1-scwrl.pdb.gz costs 0 real_cost = -109.043 T0379.try2-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -106.729 T0379.try2-opt2.pdb.gz costs 0 real_cost = -104.891 T0379.try2-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = -105.523 T0379.try2-opt2.gromacs0.pdb.gz costs 0 real_cost = -104.828 T0379.try2-opt1.pdb.gz costs 0 real_cost = -103.883 T0379.try2-opt1-scwrl.pdb.gz costs 0 real_cost = -102.055 T0379.try19-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -105.722 T0379.try19-opt2.pdb.gz costs 0 real_cost = -103.731 T0379.try19-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = -104.272 T0379.try19-opt2.gromacs0.pdb.gz costs 0 real_cost = -103.588 T0379.try19-opt1.pdb.gz costs 0 real_cost = -100.829 T0379.try19-opt1-scwrl.pdb.gz costs 0 real_cost = -101.408 T0379.try18-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 47.8368 T0379.try18-opt2.pdb.gz costs 0 real_cost = 47.7568 T0379.try18-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = 47.2146 T0379.try18-opt2.gromacs0.pdb.gz costs 0 real_cost = 52.0085 T0379.try18-opt1.pdb.gz costs 0 real_cost = 49.4436 T0379.try18-opt1-scwrl.pdb.gz costs 0 real_cost = 46.8629 T0379.try17-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -104.107 T0379.try17-opt2.pdb.gz costs 0 real_cost = -108.037 T0379.try17-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = -102.939 T0379.try17-opt2.gromacs0.pdb.gz costs 0 real_cost = -107.229 T0379.try17-opt1.pdb.gz costs 0 real_cost = -107.159 T0379.try17-opt1-scwrl.pdb.gz costs 0 real_cost = -108.329 T0379.try16-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -95.6124 T0379.try16-opt2.pdb.gz costs 0 real_cost = -98.7109 T0379.try16-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = -100.044 T0379.try16-opt2.gromacs0.pdb.gz costs 0 real_cost = -96.8346 T0379.try16-opt1.pdb.gz costs 0 real_cost = -98.0623 T0379.try16-opt1-scwrl.pdb.gz costs 0 real_cost = -103.117 T0379.try15-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 49.0391 T0379.try15-opt2.pdb.gz costs 0 real_cost = 49.1545 T0379.try15-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = 49.8535 T0379.try15-opt2.gromacs0.pdb.gz costs 0 real_cost = 52.8097 T0379.try15-opt1.pdb.gz costs 0 real_cost = 50.2281 T0379.try15-opt1-scwrl.pdb.gz costs 0 real_cost = 46.9242 T0379.try14-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -95.6357 T0379.try14-opt2.pdb.gz costs 0 real_cost = -94.3636 T0379.try14-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = -99.819 T0379.try14-opt2.gromacs0.pdb.gz costs 0 real_cost = -95.9708 T0379.try14-opt1.pdb.gz costs 0 real_cost = -96.5196 T0379.try14-opt1-scwrl.pdb.gz costs 0 real_cost = -98.921 T0379.try13-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -98.3505 T0379.try13-opt2.pdb.gz costs 0 real_cost = -96.8207 T0379.try13-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = -100.247 T0379.try13-opt2.gromacs0.pdb.gz costs 0 real_cost = -97.7766 T0379.try13-opt1.pdb.gz costs 0 real_cost = -95.1832 T0379.try13-opt1-scwrl.pdb.gz costs 0 real_cost = -96.6668 T0379.try12-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -87.8137 T0379.try12-opt2.pdb.gz costs 0 real_cost = -85.4414 T0379.try12-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = -82.1512 T0379.try12-opt2.gromacs0.pdb.gz costs 0 real_cost = -82.394 T0379.try12-opt1.pdb.gz costs 0 real_cost = -83.5735 T0379.try12-opt1-scwrl.pdb.gz costs 0 real_cost = -86.7299 T0379.try11-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -86.8127 T0379.try11-opt2.pdb.gz costs 0 real_cost = -88.108 T0379.try11-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = -91.0214 T0379.try11-opt2.gromacs0.pdb.gz costs 0 real_cost = -92.4161 T0379.try11-opt1.pdb.gz costs 0 real_cost = -81.4864 T0379.try11-opt1-scwrl.pdb.gz costs 0 real_cost = -86.9323 T0379.try10-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -26.8613 T0379.try10-opt2.pdb.gz costs 0 real_cost = -33.7707 T0379.try10-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = -31.3852 T0379.try10-opt2.gromacs0.pdb.gz costs 0 real_cost = -35.0425 T0379.try10-opt1.pdb.gz costs 0 real_cost = -28.7477 T0379.try10-opt1-scwrl.pdb.gz costs 0 real_cost = -27.0253 T0379.try1-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -96.1637 T0379.try1-opt2.pdb.gz costs 0 real_cost = -99.6156 T0379.try1-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = -101.279 T0379.try1-opt2.gromacs0.pdb.gz costs 0 real_cost = -99.7126 T0379.try1-opt1.pdb.gz costs 0 real_cost = -96.7494 T0379.try1-opt1-scwrl.pdb.gz costs 0 real_cost = -96.2606 ../model5.ts-submitted costs 0 real_cost = 82.6901 ../model4.ts-submitted costs 0 real_cost = 47.7461 ../model3.ts-submitted costs 0 real_cost = -94.3609 ../model2.ts-submitted costs 0 real_cost = -102.875 ../model1.ts-submitted costs 0 real_cost = -112.537 align5 costs 0 real_cost = 116.503 align4 costs 0 real_cost = 29.9664 align3 costs 0 real_cost = 43.8097 align2 costs 0 real_cost = 46.3168 align1 costs 0 real_cost = 125.199 T0379.try1-opt2.pdb costs 0 real_cost = -99.6166 model5-scwrl costs 0 real_cost = 80.8833 model5.ts-submitted costs 0 real_cost = 82.6901 model4-scwrl costs 0 real_cost = 45.1497 model4.ts-submitted costs 0 real_cost = 47.7461 model3-scwrl costs 0 real_cost = -98.4418 model3.ts-submitted costs 0 real_cost = -94.3609 model2-scwrl costs 0 real_cost = -103.857 model2.ts-submitted costs 0 real_cost = -102.875 model1-scwrl costs 0 real_cost = -111.857 model1.ts-submitted costs 0 real_cost = -112.537 2i6xA costs 0 real_cost = -887.4 # command:CPU_time= 1072.15 sec, elapsed time= 1300.32 sec) # command:rm -f sort.tmp /projects/compbio/bin/sorttbl real_cost < decoys/evaluate.rdb > sort.tmp mv -f sort.tmp decoys/evaluate.rdb mv -f decoys/evaluate.pretty decoys/evaluate.pretty.old mv: cannot stat `decoys/evaluate.pretty': No such file or directory make: [decoys/evaluate.pretty] Error 1 (ignored) /projects/compbio/experiments/protein-predict/casp7/scripts/prettyscore -terse -targpfx -decpoint < decoys/evaluate.rdb > decoys/evaluate.pretty