/projects/compbio/experiments/protein-predict/casp7/starter-directory/Make.main:725: SECONDARY_TARGET = T0324.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/T0324.} ;\ 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/T0324/ -e s/START_COL/1/ \ -e s/REAL_PDB/2hdoA/ \ -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 1175360388 # 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= 4.6253 sec, elapsed time= 5.26515 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= 4.68729 sec, elapsed time= 5.6782 sec) # command:# Prefix for input files set to # command:# Making conformation for sequence T0324 numbered 1 through 208 Created new target T0324 from T0324.a2m # command:# command:# No conformations to remove in PopConform # command:# cleared Id set # command:# command:2hdoA expands to /projects/compbio/data/pdb/2hdo.pdb.gz 2hdoA: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 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 501, because occupancy 5.0000000e-01 <= existing 0.500 in 2hdoA Skipped atom 505, because occupancy 0.500 <= existing 0.500 in 2hdoA Skipped atom 507, because occupancy 0.500 <= existing 0.500 in 2hdoA Skipped atom 509, because occupancy 0.500 <= existing 0.500 in 2hdoA Skipped atom 511, because occupancy 0.500 <= existing 0.500 in 2hdoA Skipped atom 513, because occupancy 0.500 <= existing 0.500 in 2hdoA 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 805, because occupancy 0.500 <= existing 0.500 in 2hdoA Skipped atom 809, because occupancy 0.500 <= existing 0.500 in 2hdoA Skipped atom 811, because occupancy 0.500 <= existing 0.500 in 2hdoA Skipped atom 875, because occupancy 0.500 <= existing 0.500 in 2hdoA Skipped atom 877, because occupancy 0.500 <= existing 0.500 in 2hdoA Skipped atom 879, because occupancy 0.500 <= existing 0.500 in 2hdoA Skipped atom 881, because occupancy 0.500 <= existing 0.500 in 2hdoA Skipped atom 883, because occupancy 0.500 <= existing 0.500 in 2hdoA Skipped atom 885, because occupancy 0.500 <= existing 0.500 in 2hdoA 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 954, because occupancy 0.500 <= existing 0.500 in 2hdoA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 956, because occupancy 0.500 <= existing 0.500 in 2hdoA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 958, because occupancy 0.500 <= existing 0.500 in 2hdoA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 960, because occupancy 0.500 <= existing 0.500 in 2hdoA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 962, because occupancy 0.500 <= existing 0.500 in 2hdoA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 964, because occupancy 0.500 <= existing 0.500 in 2hdoA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 966, because occupancy 0.350 <= existing 0.400 in 2hdoA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 968, because occupancy 0.500 <= existing 0.500 in 2hdoA 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 1174, because occupancy 0.300 <= existing 0.700 in 2hdoA Skipped atom 1178, because occupancy 0.300 <= existing 0.700 in 2hdoA Skipped atom 1180, because occupancy 0.300 <= existing 0.700 in 2hdoA Skipped atom 1182, because occupancy 0.300 <= existing 0.700 in 2hdoA Skipped atom 1184, because occupancy 0.300 <= existing 0.700 in 2hdoA Skipped atom 1280, because occupancy 0.300 <= existing 0.700 in 2hdoA Skipped atom 1284, because occupancy 0.300 <= existing 0.700 in 2hdoA Skipped atom 1286, because occupancy 0.300 <= existing 0.700 in 2hdoA 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 1506, because occupancy 0.500 <= existing 0.500 in 2hdoA Skipped atom 1510, because occupancy 0.500 <= existing 0.500 in 2hdoA Skipped atom 1512, because occupancy 0.500 <= existing 0.500 in 2hdoA Skipped atom 1514, because occupancy 0.500 <= existing 0.500 in 2hdoA Skipped atom 1516, because occupancy 0.500 <= existing 0.500 in 2hdoA Skipped atom 1518, because occupancy 0.500 <= existing 0.500 in 2hdoA Skipped atom 1520, because occupancy 0.500 <= existing 0.500 in 2hdoA Skipped atom 1522, because occupancy 0.500 <= existing 0.500 in 2hdoA Read 207 residues and 1574 atoms. # choosing archetypes in rotamer library # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # command:# Saving current conformation as real # command:# Prefix for output files set to decoys/ # command:# SetRealCost created real_cost = # ( 50 * real_hbond + 50 * real_hbond_u + 50 * decoy_hbond + 50 * decoy_hbond_u + 10 * real_NO_hbond + 10 * real_NO_hbond_u + 10 * decoy_NO_hbond + 10 * decoy_NO_hbond_u + 10 * knot + 200 * clens + 0 * rmsd + 35 * log_rmsd + 0 * rmsd_ca + 30 * log_rmsd_ca + 1 * GDT + 1 * smooth_GDT + 0.2 * missing_atoms ) # command:# SetCost created cost = # ) # command:CPU_time= 8.16576 sec, elapsed time= 9.38134 sec) # command:# Prefix for input files set to # command:# ReadConformPDB reading from PDB file model1.ts-submitted looking for model 1 # Found a chain break before 191 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -76.4563 # GDT_score(maxd=8,maxw=2.9)= -80.0409 # GDT_score(maxd=8,maxw=3.2)= -76.4657 # GDT_score(maxd=8,maxw=3.5)= -72.8982 # GDT_score(maxd=10,maxw=3.8)= -75.4314 # GDT_score(maxd=10,maxw=4)= -73.1767 # GDT_score(maxd=10,maxw=4.2)= -70.9454 # GDT_score(maxd=12,maxw=4.3)= -74.4295 # GDT_score(maxd=12,maxw=4.5)= -72.2572 # GDT_score(maxd=12,maxw=4.7)= -70.0897 # GDT_score(maxd=14,maxw=5.2)= -68.5725 # GDT_score(maxd=14,maxw=5.5)= -65.6259 # command:# Prefix for output files set to # command:superimposing iter= 0 total_weight= 2387.000 rmsd (weighted)= 2.926 (unweighted)= 12.866 superimposing iter= 1 total_weight= 6829.732 rmsd (weighted)= 1.304 (unweighted)= 12.854 superimposing iter= 2 total_weight= 2786.916 rmsd (weighted)= 0.954 (unweighted)= 12.843 superimposing iter= 3 total_weight= 1968.908 rmsd (weighted)= 0.838 (unweighted)= 12.835 superimposing iter= 4 total_weight= 1747.494 rmsd (weighted)= 0.783 (unweighted)= 12.830 superimposing iter= 5 total_weight= 1667.339 rmsd (weighted)= 0.752 (unweighted)= 12.827 # command:# Prefix for output files set to decoys/ # command:# request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_337093240.pdb -s /var/tmp/to_scwrl_337093240.seq -o /var/tmp/from_scwrl_337093240.pdb > /var/tmp/scwrl_337093240.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_337093240.pdb # conformation set from SCWRL output # command:# naming current conformation model1-scwrl # command:# ReadConformPDB reading from PDB file model2.ts-submitted looking for model 1 # Found a chain break before 190 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -75.9709 # GDT_score(maxd=8,maxw=2.9)= -78.936 # GDT_score(maxd=8,maxw=3.2)= -75.326 # GDT_score(maxd=8,maxw=3.5)= -71.6813 # GDT_score(maxd=10,maxw=3.8)= -74.3241 # GDT_score(maxd=10,maxw=4)= -71.962 # GDT_score(maxd=10,maxw=4.2)= -69.6109 # GDT_score(maxd=12,maxw=4.3)= -73.2695 # GDT_score(maxd=12,maxw=4.5)= -70.9841 # GDT_score(maxd=12,maxw=4.7)= -68.7366 # GDT_score(maxd=14,maxw=5.2)= -67.135 # GDT_score(maxd=14,maxw=5.5)= -64.0225 # command:# request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1977086940.pdb -s /var/tmp/to_scwrl_1977086940.seq -o /var/tmp/from_scwrl_1977086940.pdb > /var/tmp/scwrl_1977086940.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1977086940.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 198 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -75.9709 # GDT_score(maxd=8,maxw=2.9)= -79.6796 # GDT_score(maxd=8,maxw=3.2)= -75.8484 # GDT_score(maxd=8,maxw=3.5)= -72.113 # GDT_score(maxd=10,maxw=3.8)= -74.7217 # GDT_score(maxd=10,maxw=4)= -72.3461 # GDT_score(maxd=10,maxw=4.2)= -69.9872 # GDT_score(maxd=12,maxw=4.3)= -73.6257 # GDT_score(maxd=12,maxw=4.5)= -71.3417 # GDT_score(maxd=12,maxw=4.7)= -69.1309 # GDT_score(maxd=14,maxw=5.2)= -67.5874 # GDT_score(maxd=14,maxw=5.5)= -64.5122 # command:# request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1874586622.pdb -s /var/tmp/to_scwrl_1874586622.seq -o /var/tmp/from_scwrl_1874586622.pdb > /var/tmp/scwrl_1874586622.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1874586622.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 198 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -63.835 # GDT_score(maxd=8,maxw=2.9)= -65.6748 # GDT_score(maxd=8,maxw=3.2)= -62.6157 # GDT_score(maxd=8,maxw=3.5)= -59.6446 # GDT_score(maxd=10,maxw=3.8)= -62.476 # GDT_score(maxd=10,maxw=4)= -60.5594 # GDT_score(maxd=10,maxw=4.2)= -58.6368 # GDT_score(maxd=12,maxw=4.3)= -62.3666 # GDT_score(maxd=12,maxw=4.5)= -60.4631 # GDT_score(maxd=12,maxw=4.7)= -58.597 # GDT_score(maxd=14,maxw=5.2)= -57.8278 # GDT_score(maxd=14,maxw=5.5)= -55.1743 # command:# request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1437074387.pdb -s /var/tmp/to_scwrl_1437074387.seq -o /var/tmp/from_scwrl_1437074387.pdb > /var/tmp/scwrl_1437074387.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1437074387.pdb # conformation set from SCWRL output # command:# naming current conformation model4-scwrl # command:# ReadConformPDB reading from PDB file model5.ts-submitted looking for model 1 # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # command:# fraction of real conformation used = 0.898058 # GDT_score = -68.568 # GDT_score(maxd=8,maxw=2.9)= -72.6144 # GDT_score(maxd=8,maxw=3.2)= -68.9605 # GDT_score(maxd=8,maxw=3.5)= -65.2921 # GDT_score(maxd=10,maxw=3.8)= -67.6121 # GDT_score(maxd=10,maxw=4)= -65.3119 # GDT_score(maxd=10,maxw=4.2)= -63.0487 # GDT_score(maxd=12,maxw=4.3)= -66.4175 # GDT_score(maxd=12,maxw=4.5)= -64.2264 # GDT_score(maxd=12,maxw=4.7)= -62.1146 # GDT_score(maxd=14,maxw=5.2)= -60.6067 # GDT_score(maxd=14,maxw=5.5)= -57.7504 # command:# request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_336323126.pdb -s /var/tmp/to_scwrl_336323126.seq -o /var/tmp/from_scwrl_336323126.pdb > /var/tmp/scwrl_336323126.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_336323126.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 T0324.try1-opt2.pdb looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -63.5922 # GDT_score(maxd=8,maxw=2.9)= -65.648 # GDT_score(maxd=8,maxw=3.2)= -62.5828 # GDT_score(maxd=8,maxw=3.5)= -59.6134 # GDT_score(maxd=10,maxw=3.8)= -62.4444 # GDT_score(maxd=10,maxw=4)= -60.5288 # GDT_score(maxd=10,maxw=4.2)= -58.6041 # GDT_score(maxd=12,maxw=4.3)= -62.3384 # GDT_score(maxd=12,maxw=4.5)= -60.4314 # GDT_score(maxd=12,maxw=4.7)= -58.5638 # GDT_score(maxd=14,maxw=5.2)= -57.793 # GDT_score(maxd=14,maxw=5.5)= -55.1531 # command:# Prefix for output files set to # command:superimposing iter= 0 total_weight= 2387.000 rmsd (weighted)= 5.886 (unweighted)= 13.708 superimposing iter= 1 total_weight= 8324.488 rmsd (weighted)= 2.138 (unweighted)= 13.744 superimposing iter= 2 total_weight= 3951.060 rmsd (weighted)= 1.291 (unweighted)= 13.772 superimposing iter= 3 total_weight= 2262.975 rmsd (weighted)= 1.059 (unweighted)= 13.785 superimposing iter= 4 total_weight= 1770.943 rmsd (weighted)= 0.988 (unweighted)= 13.791 superimposing iter= 5 total_weight= 1632.850 rmsd (weighted)= 0.962 (unweighted)= 13.795 # command:# Prefix for output files set to decoys/ # command:# Prefix for input files set to # command:# ReadConformPDB reading from PDB file T0324.undertaker-align.pdb looking for model 1 WARNING: atoms too close: (T0324)E55.C and (T0324)L56.C only 0.000 apart, marking (T0324)L56.C as missing WARNING: atoms too close: (T0324)L56.N and (T0324)G57.N only 0.000 apart, marking (T0324)L56.N as missing WARNING: atoms too close: (T0324)L56.CA and (T0324)G57.CA only 0.000 apart, marking (T0324)L56.CA as missing WARNING: atoms too close: (T0324)K137.C and (T0324)D139.C only 0.000 apart, marking (T0324)D139.C as missing WARNING: atoms too close: (T0324)P138.N and (T0324)P140.N only 0.000 apart, marking (T0324)P138.N as missing WARNING: atoms too close: (T0324)P138.CA and (T0324)P140.CA only 0.000 apart, marking (T0324)P138.CA as missing # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # command:# naming current conformation align1 # command:# fraction of real conformation used = 0.898058 # GDT_score = -68.4466 # GDT_score(maxd=8,maxw=2.9)= -72.5972 # GDT_score(maxd=8,maxw=3.2)= -68.9365 # GDT_score(maxd=8,maxw=3.5)= -65.2673 # GDT_score(maxd=10,maxw=3.8)= -67.5893 # GDT_score(maxd=10,maxw=4)= -65.2902 # GDT_score(maxd=10,maxw=4.2)= -63.0282 # GDT_score(maxd=12,maxw=4.3)= -66.3962 # GDT_score(maxd=12,maxw=4.5)= -64.2072 # GDT_score(maxd=12,maxw=4.7)= -62.0962 # GDT_score(maxd=14,maxw=5.2)= -60.5902 # GDT_score(maxd=14,maxw=5.5)= -57.7348 # command:# ReadConformPDB reading from PDB file T0324.undertaker-align.pdb looking for model 2 WARNING: atoms too close: (T0324)P95.C and (T0324)E97.C only 0.000 apart, marking (T0324)E97.C as missing WARNING: atoms too close: (T0324)S96.N and (T0324)L98.N only 0.000 apart, marking (T0324)S96.N as missing WARNING: atoms too close: (T0324)S96.CA and (T0324)L98.CA only 0.000 apart, marking (T0324)S96.CA as missing # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # command:# naming current conformation align2 # command:# fraction of real conformation used = 0.936893 # GDT_score = -65.1699 # GDT_score(maxd=8,maxw=2.9)= -65.4679 # GDT_score(maxd=8,maxw=3.2)= -62.8126 # GDT_score(maxd=8,maxw=3.5)= -60.0401 # GDT_score(maxd=10,maxw=3.8)= -63.0659 # GDT_score(maxd=10,maxw=4)= -61.239 # GDT_score(maxd=10,maxw=4.2)= -59.4712 # GDT_score(maxd=12,maxw=4.3)= -62.9156 # GDT_score(maxd=12,maxw=4.5)= -61.1677 # GDT_score(maxd=12,maxw=4.7)= -59.4533 # GDT_score(maxd=14,maxw=5.2)= -58.6298 # GDT_score(maxd=14,maxw=5.5)= -56.0294 # command:# ReadConformPDB reading from PDB file T0324.undertaker-align.pdb looking for model 3 WARNING: atoms too close: (T0324)P35.C and (T0324)S37.C only 0.000 apart, marking (T0324)S37.C as missing WARNING: atoms too close: (T0324)F36.N and (T0324)P38.N only 0.000 apart, marking (T0324)F36.N as missing WARNING: atoms too close: (T0324)F36.CA and (T0324)P38.CA only 0.000 apart, marking (T0324)F36.CA as missing WARNING: atoms too close: (T0324)E62.C and (T0324)H65.C only 0.000 apart, marking (T0324)H65.C as missing WARNING: atoms too close: (T0324)F63.N and (T0324)F66.N only 0.000 apart, marking (T0324)F63.N as missing WARNING: atoms too close: (T0324)F63.CA and (T0324)F66.CA only 0.000 apart, marking (T0324)F63.CA as missing # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # command:# naming current conformation align3 # command:# ReadConformPDB reading from PDB file T0324.undertaker-align.pdb looking for model 4 WARNING: atoms too close: (T0324)S76.C and (T0324)D79.C only 0.000 apart, marking (T0324)D79.C as missing WARNING: atoms too close: (T0324)H77.N and (T0324)Q80.N only 0.000 apart, marking (T0324)H77.N as missing WARNING: atoms too close: (T0324)H77.CA and (T0324)Q80.CA only 0.000 apart, marking (T0324)H77.CA as missing # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # command:# naming current conformation align4 # command:# ReadConformPDB reading from PDB file T0324.undertaker-align.pdb looking for model 5 WARNING: atoms too close: (T0324)M1.C and (T0324)T2.C only 0.000 apart, marking (T0324)T2.C as missing WARNING: atoms too close: (T0324)T2.N and (T0324)Y3.N only 0.000 apart, marking (T0324)T2.N as missing WARNING: atoms too close: (T0324)T2.CA and (T0324)Y3.CA only 0.000 apart, marking (T0324)T2.CA as missing WARNING: atoms too close: (T0324)T15.C and (T0324)N16.C only 0.000 apart, marking (T0324)N16.C as missing WARNING: atoms too close: (T0324)N16.N and (T0324)S17.N only 0.000 apart, marking (T0324)N16.N as missing WARNING: atoms too close: (T0324)N16.CA and (T0324)S17.CA only 0.000 apart, marking (T0324)N16.CA as missing WARNING: atoms too close: (T0324)A59.C and (T0324)S61.C only 0.000 apart, marking (T0324)S61.C as missing WARNING: atoms too close: (T0324)A60.N and (T0324)E62.N only 0.000 apart, marking (T0324)A60.N as missing WARNING: atoms too close: (T0324)A60.CA and (T0324)E62.CA only 0.000 apart, marking (T0324)A60.CA as missing WARNING: atoms too close: (T0324)S76.C and (T0324)D79.C only 0.000 apart, marking (T0324)D79.C as missing WARNING: atoms too close: (T0324)H77.N and (T0324)Q80.N only 0.000 apart, marking (T0324)H77.N as missing WARNING: atoms too close: (T0324)H77.CA and (T0324)Q80.CA only 0.000 apart, marking (T0324)H77.CA as missing # WARNING: incomplete conformation T0324 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 191 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model2.ts-submitted looking for model 1 # Found a chain break before 190 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model3.ts-submitted looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model4.ts-submitted looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model5.ts-submitted looking for model 1 # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # ReadConformPDB reading from PDB file T0324.try1-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try1-opt1.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try1-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 173 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try1-opt2.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try1-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try10-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try10-opt1.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try10-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 191 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try10-opt2.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try10-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try11-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try11-opt1.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try11-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 191 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try11-opt2.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try11-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try12-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try12-opt1.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try12-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 204 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try12-opt2.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try12-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try13-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 191 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try13-opt1.pdb.gz looking for model 1 # Found a chain break before 191 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try13-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 203 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try13-opt2.pdb.gz looking for model 1 # Found a chain break before 191 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try13-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 191 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try2-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try2-opt1.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try2-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 173 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try2-opt2.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try2-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try3-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 206 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try3-opt1.pdb.gz looking for model 1 # Found a chain break before 206 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try3-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 191 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try3-opt2.pdb.gz looking for model 1 # Found a chain break before 206 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try3-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 206 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try4-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try4-opt1.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try4-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 193 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try4-opt2.pdb.gz looking for model 1 # Found a chain break before 193 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try4-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 T0324.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 T0324.try5-opt1.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try5-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 191 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try5-opt2.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try5-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try6-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 190 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try6-opt1.pdb.gz looking for model 1 # Found a chain break before 190 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try6-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 191 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try6-opt2.pdb.gz looking for model 1 # Found a chain break before 190 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try6-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 190 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try7-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try7-opt1.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try7-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try7-opt2.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try7-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try8-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 190 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try8-opt1.pdb.gz looking for model 1 # Found a chain break before 190 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try8-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 207 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try8-opt2.pdb.gz looking for model 1 # Found a chain break before 200 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try8-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 200 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try9-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 202 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try9-opt1.pdb.gz looking for model 1 # Found a chain break before 202 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try9-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 203 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try9-opt2.pdb.gz looking for model 1 # Found a chain break before 203 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try9-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 203 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1460500488.pdb -s /var/tmp/to_scwrl_1460500488.seq -o /var/tmp/from_scwrl_1460500488.pdb > /var/tmp/scwrl_1460500488.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1460500488.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 T0324 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_948894797.pdb -s /var/tmp/to_scwrl_948894797.seq -o /var/tmp/from_scwrl_948894797.pdb > /var/tmp/scwrl_948894797.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_948894797.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_POPULUS_TS2-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS3.pdb.gz looking for model 1 # Found a chain break before 200 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_894083336.pdb -s /var/tmp/to_scwrl_894083336.seq -o /var/tmp/from_scwrl_894083336.pdb > /var/tmp/scwrl_894083336.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_894083336.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 # Found a chain break before 204 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1039368158.pdb -s /var/tmp/to_scwrl_1039368158.seq -o /var/tmp/from_scwrl_1039368158.pdb > /var/tmp/scwrl_1039368158.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1039368158.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 # Found a chain break before 193 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_309602306.pdb -s /var/tmp/to_scwrl_309602306.seq -o /var/tmp/from_scwrl_309602306.pdb > /var/tmp/scwrl_309602306.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_309602306.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 T0324 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_137379951.pdb -s /var/tmp/to_scwrl_137379951.seq -o /var/tmp/from_scwrl_137379951.pdb > /var/tmp/scwrl_137379951.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_137379951.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 T0324 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_982790921.pdb -s /var/tmp/to_scwrl_982790921.seq -o /var/tmp/from_scwrl_982790921.pdb > /var/tmp/scwrl_982790921.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_982790921.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 # Found a chain break before 205 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_RECOM_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_319157750.pdb -s /var/tmp/to_scwrl_319157750.seq -o /var/tmp/from_scwrl_319157750.pdb > /var/tmp/scwrl_319157750.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_319157750.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 T0324 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_49864928.pdb -s /var/tmp/to_scwrl_49864928.seq -o /var/tmp/from_scwrl_49864928.pdb > /var/tmp/scwrl_49864928.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_49864928.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 T0324 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_2087772900.pdb -s /var/tmp/to_scwrl_2087772900.seq -o /var/tmp/from_scwrl_2087772900.pdb > /var/tmp/scwrl_2087772900.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2087772900.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 T0324 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_249370964.pdb -s /var/tmp/to_scwrl_249370964.seq -o /var/tmp/from_scwrl_249370964.pdb > /var/tmp/scwrl_249370964.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_249370964.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 T0324 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1900948217.pdb -s /var/tmp/to_scwrl_1900948217.seq -o /var/tmp/from_scwrl_1900948217.pdb > /var/tmp/scwrl_1900948217.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1900948217.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 T0324 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_611505006.pdb -s /var/tmp/to_scwrl_611505006.seq -o /var/tmp/from_scwrl_611505006.pdb > /var/tmp/scwrl_611505006.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_611505006.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 # Found a chain break before 205 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_322663642.pdb -s /var/tmp/to_scwrl_322663642.seq -o /var/tmp/from_scwrl_322663642.pdb > /var/tmp/scwrl_322663642.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_322663642.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 T0324 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1006624173.pdb -s /var/tmp/to_scwrl_1006624173.seq -o /var/tmp/from_scwrl_1006624173.pdb > /var/tmp/scwrl_1006624173.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1006624173.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 152 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1895267063.pdb -s /var/tmp/to_scwrl_1895267063.seq -o /var/tmp/from_scwrl_1895267063.pdb > /var/tmp/scwrl_1895267063.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1895267063.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 193 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_790481052.pdb -s /var/tmp/to_scwrl_790481052.seq -o /var/tmp/from_scwrl_790481052.pdb > /var/tmp/scwrl_790481052.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_790481052.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 140 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1847935185.pdb -s /var/tmp/to_scwrl_1847935185.seq -o /var/tmp/from_scwrl_1847935185.pdb > /var/tmp/scwrl_1847935185.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1847935185.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 198 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1051755962.pdb -s /var/tmp/to_scwrl_1051755962.seq -o /var/tmp/from_scwrl_1051755962.pdb > /var/tmp/scwrl_1051755962.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1051755962.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 ; scwrl3 -i /var/tmp/to_scwrl_509340098.pdb -s /var/tmp/to_scwrl_509340098.seq -o /var/tmp/from_scwrl_509340098.pdb > /var/tmp/scwrl_509340098.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_509340098.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 203 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_183086163.pdb -s /var/tmp/to_scwrl_183086163.seq -o /var/tmp/from_scwrl_183086163.pdb > /var/tmp/scwrl_183086163.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_183086163.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 206 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_49299937.pdb -s /var/tmp/to_scwrl_49299937.seq -o /var/tmp/from_scwrl_49299937.pdb > /var/tmp/scwrl_49299937.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_49299937.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 197 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1184946389.pdb -s /var/tmp/to_scwrl_1184946389.seq -o /var/tmp/from_scwrl_1184946389.pdb > /var/tmp/scwrl_1184946389.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1184946389.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 183 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1629027661.pdb -s /var/tmp/to_scwrl_1629027661.seq -o /var/tmp/from_scwrl_1629027661.pdb > /var/tmp/scwrl_1629027661.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1629027661.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 195 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_634957745.pdb -s /var/tmp/to_scwrl_634957745.seq -o /var/tmp/from_scwrl_634957745.pdb > /var/tmp/scwrl_634957745.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_634957745.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 183 # copying to AlignedFragments data structure # naming current conformation BayesHH_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_2108372781.pdb -s /var/tmp/to_scwrl_2108372781.seq -o /var/tmp/from_scwrl_2108372781.pdb > /var/tmp/scwrl_2108372781.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2108372781.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 184 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1966120901.pdb -s /var/tmp/to_scwrl_1966120901.seq -o /var/tmp/from_scwrl_1966120901.pdb > /var/tmp/scwrl_1966120901.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1966120901.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 184 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_464561038.pdb -s /var/tmp/to_scwrl_464561038.seq -o /var/tmp/from_scwrl_464561038.pdb > /var/tmp/scwrl_464561038.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_464561038.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 196 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1835475756.pdb -s /var/tmp/to_scwrl_1835475756.seq -o /var/tmp/from_scwrl_1835475756.pdb > /var/tmp/scwrl_1835475756.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1835475756.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 207 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1255711641.pdb -s /var/tmp/to_scwrl_1255711641.seq -o /var/tmp/from_scwrl_1255711641.pdb > /var/tmp/scwrl_1255711641.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1255711641.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 207 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_800884164.pdb -s /var/tmp/to_scwrl_800884164.seq -o /var/tmp/from_scwrl_800884164.pdb > /var/tmp/scwrl_800884164.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_800884164.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 203 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1148492597.pdb -s /var/tmp/to_scwrl_1148492597.seq -o /var/tmp/from_scwrl_1148492597.pdb > /var/tmp/scwrl_1148492597.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1148492597.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 201 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_57122791.pdb -s /var/tmp/to_scwrl_57122791.seq -o /var/tmp/from_scwrl_57122791.pdb > /var/tmp/scwrl_57122791.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_57122791.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 201 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1694967500.pdb -s /var/tmp/to_scwrl_1694967500.seq -o /var/tmp/from_scwrl_1694967500.pdb > /var/tmp/scwrl_1694967500.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1694967500.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS3-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS4.pdb.gz looking for model 1 # Found a chain break before 205 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_40377108.pdb -s /var/tmp/to_scwrl_40377108.seq -o /var/tmp/from_scwrl_40377108.pdb > /var/tmp/scwrl_40377108.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_40377108.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 200 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_366725098.pdb -s /var/tmp/to_scwrl_366725098.seq -o /var/tmp/from_scwrl_366725098.pdb > /var/tmp/scwrl_366725098.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_366725098.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 T0324 can't currently be optimized by undertaker # naming current conformation CPHmodels_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1832347451.pdb -s /var/tmp/to_scwrl_1832347451.seq -o /var/tmp/from_scwrl_1832347451.pdb > /var/tmp/scwrl_1832347451.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1832347451.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 T0324 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1023168029.pdb -s /var/tmp/to_scwrl_1023168029.seq -o /var/tmp/from_scwrl_1023168029.pdb > /var/tmp/scwrl_1023168029.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1023168029.pdb # conformation set from SCWRL output # naming current conformation CaspIta-FOX_TS1-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_685882848.pdb -s /var/tmp/to_scwrl_685882848.seq -o /var/tmp/from_scwrl_685882848.pdb > /var/tmp/scwrl_685882848.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_685882848.pdb # conformation set from SCWRL output # naming current conformation CaspIta-FOX_TS2-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1882212380.pdb -s /var/tmp/to_scwrl_1882212380.seq -o /var/tmp/from_scwrl_1882212380.pdb > /var/tmp/scwrl_1882212380.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1882212380.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 196 # copying to AlignedFragments data structure # naming current conformation CaspIta-FOX_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_963457283.pdb -s /var/tmp/to_scwrl_963457283.seq -o /var/tmp/from_scwrl_963457283.pdb > /var/tmp/scwrl_963457283.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_963457283.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 T0324 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_935253812.pdb -s /var/tmp/to_scwrl_935253812.seq -o /var/tmp/from_scwrl_935253812.pdb > /var/tmp/scwrl_935253812.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_935253812.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 T0324 can't currently be optimized by undertaker # naming current conformation Distill_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1635676950.pdb -s /var/tmp/to_scwrl_1635676950.seq -o /var/tmp/from_scwrl_1635676950.pdb > /var/tmp/scwrl_1635676950.log Error: Couldn't open file /var/tmp/from_scwrl_1635676950.pdb or /var/tmp/from_scwrl_1635676950.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1635676950_b.pdb or decoys//var/tmp/from_scwrl_1635676950_b.pdb.gz for input Trying /var/tmp/from_scwrl_1635676950_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1635676950_b.pdb or /var/tmp/from_scwrl_1635676950_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1635676950_a.pdb or decoys//var/tmp/from_scwrl_1635676950_a.pdb.gz for input Trying /var/tmp/from_scwrl_1635676950_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1635676950_a.pdb or /var/tmp/from_scwrl_1635676950_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1635676950.pdb or /var/tmp/from_scwrl_1635676950_b.pdb or /var/tmp/from_scwrl_1635676950_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 T0324 can't currently be optimized by undertaker # naming current conformation Distill_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1574962288.pdb -s /var/tmp/to_scwrl_1574962288.seq -o /var/tmp/from_scwrl_1574962288.pdb > /var/tmp/scwrl_1574962288.log Error: Couldn't open file /var/tmp/from_scwrl_1574962288.pdb or /var/tmp/from_scwrl_1574962288.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1574962288_b.pdb or decoys//var/tmp/from_scwrl_1574962288_b.pdb.gz for input Trying /var/tmp/from_scwrl_1574962288_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1574962288_b.pdb or /var/tmp/from_scwrl_1574962288_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1574962288_a.pdb or decoys//var/tmp/from_scwrl_1574962288_a.pdb.gz for input Trying /var/tmp/from_scwrl_1574962288_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1574962288_a.pdb or /var/tmp/from_scwrl_1574962288_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1574962288.pdb or /var/tmp/from_scwrl_1574962288_b.pdb or /var/tmp/from_scwrl_1574962288_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 T0324 can't currently be optimized by undertaker # naming current conformation Distill_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1257917454.pdb -s /var/tmp/to_scwrl_1257917454.seq -o /var/tmp/from_scwrl_1257917454.pdb > /var/tmp/scwrl_1257917454.log Error: Couldn't open file /var/tmp/from_scwrl_1257917454.pdb or /var/tmp/from_scwrl_1257917454.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1257917454_b.pdb or decoys//var/tmp/from_scwrl_1257917454_b.pdb.gz for input Trying /var/tmp/from_scwrl_1257917454_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1257917454_b.pdb or /var/tmp/from_scwrl_1257917454_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1257917454_a.pdb or decoys//var/tmp/from_scwrl_1257917454_a.pdb.gz for input Trying /var/tmp/from_scwrl_1257917454_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1257917454_a.pdb or /var/tmp/from_scwrl_1257917454_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1257917454.pdb or /var/tmp/from_scwrl_1257917454_b.pdb or /var/tmp/from_scwrl_1257917454_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 T0324 can't currently be optimized by undertaker # naming current conformation Distill_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_494817477.pdb -s /var/tmp/to_scwrl_494817477.seq -o /var/tmp/from_scwrl_494817477.pdb > /var/tmp/scwrl_494817477.log Error: Couldn't open file /var/tmp/from_scwrl_494817477.pdb or /var/tmp/from_scwrl_494817477.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_494817477_b.pdb or decoys//var/tmp/from_scwrl_494817477_b.pdb.gz for input Trying /var/tmp/from_scwrl_494817477_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_494817477_b.pdb or /var/tmp/from_scwrl_494817477_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_494817477_a.pdb or decoys//var/tmp/from_scwrl_494817477_a.pdb.gz for input Trying /var/tmp/from_scwrl_494817477_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_494817477_a.pdb or /var/tmp/from_scwrl_494817477_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_494817477.pdb or /var/tmp/from_scwrl_494817477_b.pdb or /var/tmp/from_scwrl_494817477_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 T0324 can't currently be optimized by undertaker # naming current conformation Distill_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1322745704.pdb -s /var/tmp/to_scwrl_1322745704.seq -o /var/tmp/from_scwrl_1322745704.pdb > /var/tmp/scwrl_1322745704.log Error: Couldn't open file /var/tmp/from_scwrl_1322745704.pdb or /var/tmp/from_scwrl_1322745704.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1322745704_b.pdb or decoys//var/tmp/from_scwrl_1322745704_b.pdb.gz for input Trying /var/tmp/from_scwrl_1322745704_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1322745704_b.pdb or /var/tmp/from_scwrl_1322745704_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1322745704_a.pdb or decoys//var/tmp/from_scwrl_1322745704_a.pdb.gz for input Trying /var/tmp/from_scwrl_1322745704_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1322745704_a.pdb or /var/tmp/from_scwrl_1322745704_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1322745704.pdb or /var/tmp/from_scwrl_1322745704_b.pdb or /var/tmp/from_scwrl_1322745704_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 205 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_2048398506.pdb -s /var/tmp/to_scwrl_2048398506.seq -o /var/tmp/from_scwrl_2048398506.pdb > /var/tmp/scwrl_2048398506.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2048398506.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 T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FAMSD_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_195269015.pdb -s /var/tmp/to_scwrl_195269015.seq -o /var/tmp/from_scwrl_195269015.pdb > /var/tmp/scwrl_195269015.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_195269015.pdb # conformation set from SCWRL output # naming current conformation FAMSD_TS2-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS3.pdb.gz looking for model 1 # Found a chain break before 204 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_227018019.pdb -s /var/tmp/to_scwrl_227018019.seq -o /var/tmp/from_scwrl_227018019.pdb > /var/tmp/scwrl_227018019.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_227018019.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 T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FAMSD_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_410254957.pdb -s /var/tmp/to_scwrl_410254957.seq -o /var/tmp/from_scwrl_410254957.pdb > /var/tmp/scwrl_410254957.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_410254957.pdb # conformation set from SCWRL output # naming current conformation FAMSD_TS4-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS5.pdb.gz looking for model 1 # Found a chain break before 201 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_378355178.pdb -s /var/tmp/to_scwrl_378355178.seq -o /var/tmp/from_scwrl_378355178.pdb > /var/tmp/scwrl_378355178.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_378355178.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 204 # copying to AlignedFragments data structure # naming current conformation FAMS_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_276317956.pdb -s /var/tmp/to_scwrl_276317956.seq -o /var/tmp/from_scwrl_276317956.pdb > /var/tmp/scwrl_276317956.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_276317956.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS1-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS2.pdb.gz looking for model 1 # Found a chain break before 201 # copying to AlignedFragments data structure # naming current conformation FAMS_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1595201346.pdb -s /var/tmp/to_scwrl_1595201346.seq -o /var/tmp/from_scwrl_1595201346.pdb > /var/tmp/scwrl_1595201346.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1595201346.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 205 # copying to AlignedFragments data structure # naming current conformation FAMS_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_2007382839.pdb -s /var/tmp/to_scwrl_2007382839.seq -o /var/tmp/from_scwrl_2007382839.pdb > /var/tmp/scwrl_2007382839.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2007382839.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 ; scwrl3 -i /var/tmp/to_scwrl_911275701.pdb -s /var/tmp/to_scwrl_911275701.seq -o /var/tmp/from_scwrl_911275701.pdb > /var/tmp/scwrl_911275701.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_911275701.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 201 # copying to AlignedFragments data structure # naming current conformation FAMS_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1556090480.pdb -s /var/tmp/to_scwrl_1556090480.seq -o /var/tmp/from_scwrl_1556090480.pdb > /var/tmp/scwrl_1556090480.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1556090480.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 191 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1826020094.pdb -s /var/tmp/to_scwrl_1826020094.seq -o /var/tmp/from_scwrl_1826020094.pdb > /var/tmp/scwrl_1826020094.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1826020094.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 187 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1375836739.pdb -s /var/tmp/to_scwrl_1375836739.seq -o /var/tmp/from_scwrl_1375836739.pdb > /var/tmp/scwrl_1375836739.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1375836739.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 197 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1244082589.pdb -s /var/tmp/to_scwrl_1244082589.seq -o /var/tmp/from_scwrl_1244082589.pdb > /var/tmp/scwrl_1244082589.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1244082589.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 206 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_934248089.pdb -s /var/tmp/to_scwrl_934248089.seq -o /var/tmp/from_scwrl_934248089.pdb > /var/tmp/scwrl_934248089.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_934248089.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 203 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_29237256.pdb -s /var/tmp/to_scwrl_29237256.seq -o /var/tmp/from_scwrl_29237256.pdb > /var/tmp/scwrl_29237256.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_29237256.pdb # conformation set from SCWRL output # naming current conformation FOLDpro_TS5-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL1.pdb.gz looking for model 1 Skipped atom 15, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 300, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_245091540.pdb -s /var/tmp/to_scwrl_245091540.seq -o /var/tmp/from_scwrl_245091540.pdb > /var/tmp/scwrl_245091540.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_245091540.pdb # conformation set from SCWRL output # naming current conformation FORTE1_AL1-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_991370881.pdb -s /var/tmp/to_scwrl_991370881.seq -o /var/tmp/from_scwrl_991370881.pdb > /var/tmp/scwrl_991370881.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_991370881.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 38, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL3.pdb.gz Skipped atom 40, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL3.pdb.gz Skipped atom 42, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL3.pdb.gz Skipped atom 44, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL3.pdb.gz Skipped atom 102, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL3.pdb.gz Skipped atom 104, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL3.pdb.gz Skipped atom 106, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL3.pdb.gz Skipped atom 108, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL3.pdb.gz Skipped atom 206, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL3.pdb.gz Skipped atom 208, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL3.pdb.gz Skipped atom 210, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL3.pdb.gz Skipped atom 212, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL3.pdb.gz Skipped atom 242, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL3.pdb.gz Skipped atom 244, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL3.pdb.gz Skipped atom 246, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL3.pdb.gz Skipped atom 248, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL3.pdb.gz Skipped atom 482, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL3.pdb.gz Skipped atom 484, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL3.pdb.gz Skipped atom 486, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL3.pdb.gz Skipped atom 488, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL3.pdb.gz # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1724204756.pdb -s /var/tmp/to_scwrl_1724204756.seq -o /var/tmp/from_scwrl_1724204756.pdb > /var/tmp/scwrl_1724204756.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1724204756.pdb # conformation set from SCWRL output # naming current conformation FORTE1_AL3-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL4.pdb.gz looking for model 1 Skipped atom 786, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 788, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 790, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 792, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 794, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 796, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 798, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 800, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 802, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 804, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 806, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 808, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 810, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 812, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 814, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 816, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 818, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 820, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 822, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 824, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 826, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 828, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 830, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 832, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz # WARNING: incomplete conformation T0324 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 ; scwrl3 -i /var/tmp/to_scwrl_285468648.pdb -s /var/tmp/to_scwrl_285468648.seq -o /var/tmp/from_scwrl_285468648.pdb > /var/tmp/scwrl_285468648.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_285468648.pdb # conformation set from SCWRL output # naming current conformation FORTE1_AL4-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1358095978.pdb -s /var/tmp/to_scwrl_1358095978.seq -o /var/tmp/from_scwrl_1358095978.pdb > /var/tmp/scwrl_1358095978.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1358095978.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 15, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 300, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE2_AL1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1409068561.pdb -s /var/tmp/to_scwrl_1409068561.seq -o /var/tmp/from_scwrl_1409068561.pdb > /var/tmp/scwrl_1409068561.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1409068561.pdb # conformation set from SCWRL output # naming current conformation FORTE2_AL1-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL2.pdb.gz looking for model 1 Skipped atom 38, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 40, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 42, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 44, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 102, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 104, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 106, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 108, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 206, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 208, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 210, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 212, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 242, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 244, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 246, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 248, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 482, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 484, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 486, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 488, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE2_AL2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1308636677.pdb -s /var/tmp/to_scwrl_1308636677.seq -o /var/tmp/from_scwrl_1308636677.pdb > /var/tmp/scwrl_1308636677.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1308636677.pdb # conformation set from SCWRL output # naming current conformation FORTE2_AL2-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE2_AL3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_2043978826.pdb -s /var/tmp/to_scwrl_2043978826.seq -o /var/tmp/from_scwrl_2043978826.pdb > /var/tmp/scwrl_2043978826.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2043978826.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 T0324 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 ; scwrl3 -i /var/tmp/to_scwrl_1143797294.pdb -s /var/tmp/to_scwrl_1143797294.seq -o /var/tmp/from_scwrl_1143797294.pdb > /var/tmp/scwrl_1143797294.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1143797294.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 T0324 can't currently be optimized by undertaker # naming current conformation FORTE2_AL5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_124610313.pdb -s /var/tmp/to_scwrl_124610313.seq -o /var/tmp/from_scwrl_124610313.pdb > /var/tmp/scwrl_124610313.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_124610313.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 203 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_831748992.pdb -s /var/tmp/to_scwrl_831748992.seq -o /var/tmp/from_scwrl_831748992.pdb > /var/tmp/scwrl_831748992.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_831748992.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 206 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_631990598.pdb -s /var/tmp/to_scwrl_631990598.seq -o /var/tmp/from_scwrl_631990598.pdb > /var/tmp/scwrl_631990598.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_631990598.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 207 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1699572601.pdb -s /var/tmp/to_scwrl_1699572601.seq -o /var/tmp/from_scwrl_1699572601.pdb > /var/tmp/scwrl_1699572601.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1699572601.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 ; scwrl3 -i /var/tmp/to_scwrl_2089666446.pdb -s /var/tmp/to_scwrl_2089666446.seq -o /var/tmp/from_scwrl_2089666446.pdb > /var/tmp/scwrl_2089666446.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2089666446.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 ; scwrl3 -i /var/tmp/to_scwrl_1126808074.pdb -s /var/tmp/to_scwrl_1126808074.seq -o /var/tmp/from_scwrl_1126808074.pdb > /var/tmp/scwrl_1126808074.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1126808074.pdb # conformation set from SCWRL output # naming current conformation FPSOLVER-SERVER_TS5-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS1.pdb.gz looking for model 1 # Found a chain break before 184 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_874834660.pdb -s /var/tmp/to_scwrl_874834660.seq -o /var/tmp/from_scwrl_874834660.pdb > /var/tmp/scwrl_874834660.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_874834660.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS1-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1990581305.pdb -s /var/tmp/to_scwrl_1990581305.seq -o /var/tmp/from_scwrl_1990581305.pdb > /var/tmp/scwrl_1990581305.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1990581305.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS2-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1322077089.pdb -s /var/tmp/to_scwrl_1322077089.seq -o /var/tmp/from_scwrl_1322077089.pdb > /var/tmp/scwrl_1322077089.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1322077089.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS3-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1101852678.pdb -s /var/tmp/to_scwrl_1101852678.seq -o /var/tmp/from_scwrl_1101852678.pdb > /var/tmp/scwrl_1101852678.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1101852678.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS4-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_253352615.pdb -s /var/tmp/to_scwrl_253352615.seq -o /var/tmp/from_scwrl_253352615.pdb > /var/tmp/scwrl_253352615.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_253352615.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 T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1700432267.pdb -s /var/tmp/to_scwrl_1700432267.seq -o /var/tmp/from_scwrl_1700432267.pdb > /var/tmp/scwrl_1700432267.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1700432267.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 T0324 can't currently be optimized by undertaker # naming current conformation FUGUE_AL2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1378170635.pdb -s /var/tmp/to_scwrl_1378170635.seq -o /var/tmp/from_scwrl_1378170635.pdb > /var/tmp/scwrl_1378170635.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1378170635.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 T0324 can't currently be optimized by undertaker # naming current conformation FUGUE_AL3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1848553961.pdb -s /var/tmp/to_scwrl_1848553961.seq -o /var/tmp/from_scwrl_1848553961.pdb > /var/tmp/scwrl_1848553961.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1848553961.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 T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1560331460.pdb -s /var/tmp/to_scwrl_1560331460.seq -o /var/tmp/from_scwrl_1560331460.pdb > /var/tmp/scwrl_1560331460.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1560331460.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 T0324 can't currently be optimized by undertaker # naming current conformation FUGUE_AL5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_141962689.pdb -s /var/tmp/to_scwrl_141962689.seq -o /var/tmp/from_scwrl_141962689.pdb > /var/tmp/scwrl_141962689.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_141962689.pdb # conformation set from SCWRL output # naming current conformation FUGUE_AL5-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS1.pdb.gz looking for model 1 # Found a chain break before 205 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1257160795.pdb -s /var/tmp/to_scwrl_1257160795.seq -o /var/tmp/from_scwrl_1257160795.pdb > /var/tmp/scwrl_1257160795.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1257160795.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS1-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS2.pdb.gz looking for model 1 # Found a chain break before 200 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1238867907.pdb -s /var/tmp/to_scwrl_1238867907.seq -o /var/tmp/from_scwrl_1238867907.pdb > /var/tmp/scwrl_1238867907.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1238867907.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS2-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS3.pdb.gz looking for model 1 # Found a chain break before 204 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1517799428.pdb -s /var/tmp/to_scwrl_1517799428.seq -o /var/tmp/from_scwrl_1517799428.pdb > /var/tmp/scwrl_1517799428.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1517799428.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS3-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS4.pdb.gz looking for model 1 # Found a chain break before 200 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_353759738.pdb -s /var/tmp/to_scwrl_353759738.seq -o /var/tmp/from_scwrl_353759738.pdb > /var/tmp/scwrl_353759738.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_353759738.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS4-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS5.pdb.gz looking for model 1 # Found a chain break before 204 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_25632349.pdb -s /var/tmp/to_scwrl_25632349.seq -o /var/tmp/from_scwrl_25632349.pdb > /var/tmp/scwrl_25632349.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_25632349.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS5-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS1.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1547036685.pdb -s /var/tmp/to_scwrl_1547036685.seq -o /var/tmp/from_scwrl_1547036685.pdb > /var/tmp/scwrl_1547036685.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1547036685.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS1-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS2.pdb.gz looking for model 1 # Found a chain break before 186 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_598851279.pdb -s /var/tmp/to_scwrl_598851279.seq -o /var/tmp/from_scwrl_598851279.pdb > /var/tmp/scwrl_598851279.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_598851279.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS2-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS3.pdb.gz looking for model 1 # Found a chain break before 184 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1017003230.pdb -s /var/tmp/to_scwrl_1017003230.seq -o /var/tmp/from_scwrl_1017003230.pdb > /var/tmp/scwrl_1017003230.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1017003230.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS3-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS4.pdb.gz looking for model 1 # Found a chain break before 134 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1123757794.pdb -s /var/tmp/to_scwrl_1123757794.seq -o /var/tmp/from_scwrl_1123757794.pdb > /var/tmp/scwrl_1123757794.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1123757794.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS4-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS5.pdb.gz looking for model 1 # Found a chain break before 186 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_884319927.pdb -s /var/tmp/to_scwrl_884319927.seq -o /var/tmp/from_scwrl_884319927.pdb > /var/tmp/scwrl_884319927.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_884319927.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 191 # copying to AlignedFragments data structure # naming current conformation HHpred1_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_227615561.pdb -s /var/tmp/to_scwrl_227615561.seq -o /var/tmp/from_scwrl_227615561.pdb > /var/tmp/scwrl_227615561.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_227615561.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 173 # copying to AlignedFragments data structure # naming current conformation HHpred2_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_385342709.pdb -s /var/tmp/to_scwrl_385342709.seq -o /var/tmp/from_scwrl_385342709.pdb > /var/tmp/scwrl_385342709.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_385342709.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 97 # copying to AlignedFragments data structure # naming current conformation HHpred3_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_45472957.pdb -s /var/tmp/to_scwrl_45472957.seq -o /var/tmp/from_scwrl_45472957.pdb > /var/tmp/scwrl_45472957.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_45472957.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 T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Huber-Torda-Server_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_124110741.pdb -s /var/tmp/to_scwrl_124110741.seq -o /var/tmp/from_scwrl_124110741.pdb > /var/tmp/scwrl_124110741.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_124110741.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 T0324 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1529140003.pdb -s /var/tmp/to_scwrl_1529140003.seq -o /var/tmp/from_scwrl_1529140003.pdb > /var/tmp/scwrl_1529140003.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1529140003.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 T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Huber-Torda-Server_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_170083270.pdb -s /var/tmp/to_scwrl_170083270.seq -o /var/tmp/from_scwrl_170083270.pdb > /var/tmp/scwrl_170083270.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_170083270.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 T0324 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_955859733.pdb -s /var/tmp/to_scwrl_955859733.seq -o /var/tmp/from_scwrl_955859733.pdb > /var/tmp/scwrl_955859733.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_955859733.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 T0324 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_13646955.pdb -s /var/tmp/to_scwrl_13646955.seq -o /var/tmp/from_scwrl_13646955.pdb > /var/tmp/scwrl_13646955.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_13646955.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 T0324 can't currently be optimized by undertaker # naming current conformation LOOPP_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1869655872.pdb -s /var/tmp/to_scwrl_1869655872.seq -o /var/tmp/from_scwrl_1869655872.pdb > /var/tmp/scwrl_1869655872.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1869655872.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 T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation LOOPP_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_898042532.pdb -s /var/tmp/to_scwrl_898042532.seq -o /var/tmp/from_scwrl_898042532.pdb > /var/tmp/scwrl_898042532.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_898042532.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 T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation LOOPP_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1140455029.pdb -s /var/tmp/to_scwrl_1140455029.seq -o /var/tmp/from_scwrl_1140455029.pdb > /var/tmp/scwrl_1140455029.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1140455029.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 T0324 can't currently be optimized by undertaker # naming current conformation LOOPP_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_597006885.pdb -s /var/tmp/to_scwrl_597006885.seq -o /var/tmp/from_scwrl_597006885.pdb > /var/tmp/scwrl_597006885.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_597006885.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 T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation LOOPP_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_741140190.pdb -s /var/tmp/to_scwrl_741140190.seq -o /var/tmp/from_scwrl_741140190.pdb > /var/tmp/scwrl_741140190.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_741140190.pdb # conformation set from SCWRL output # naming current conformation LOOPP_TS5-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS1.pdb.gz looking for model 1 # Found a chain break before 182 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_315048473.pdb -s /var/tmp/to_scwrl_315048473.seq -o /var/tmp/from_scwrl_315048473.pdb > /var/tmp/scwrl_315048473.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_315048473.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 129 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1698859563.pdb -s /var/tmp/to_scwrl_1698859563.seq -o /var/tmp/from_scwrl_1698859563.pdb > /var/tmp/scwrl_1698859563.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1698859563.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 206 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_994492805.pdb -s /var/tmp/to_scwrl_994492805.seq -o /var/tmp/from_scwrl_994492805.pdb > /var/tmp/scwrl_994492805.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_994492805.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 192 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_2015480740.pdb -s /var/tmp/to_scwrl_2015480740.seq -o /var/tmp/from_scwrl_2015480740.pdb > /var/tmp/scwrl_2015480740.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2015480740.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 184 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_929546552.pdb -s /var/tmp/to_scwrl_929546552.seq -o /var/tmp/from_scwrl_929546552.pdb > /var/tmp/scwrl_929546552.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_929546552.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 123 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_695563119.pdb -s /var/tmp/to_scwrl_695563119.seq -o /var/tmp/from_scwrl_695563119.pdb > /var/tmp/scwrl_695563119.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_695563119.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 129 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1428328553.pdb -s /var/tmp/to_scwrl_1428328553.seq -o /var/tmp/from_scwrl_1428328553.pdb > /var/tmp/scwrl_1428328553.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1428328553.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 192 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1071509242.pdb -s /var/tmp/to_scwrl_1071509242.seq -o /var/tmp/from_scwrl_1071509242.pdb > /var/tmp/scwrl_1071509242.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1071509242.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 155 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1952723914.pdb -s /var/tmp/to_scwrl_1952723914.seq -o /var/tmp/from_scwrl_1952723914.pdb > /var/tmp/scwrl_1952723914.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1952723914.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 184 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_519712814.pdb -s /var/tmp/to_scwrl_519712814.seq -o /var/tmp/from_scwrl_519712814.pdb > /var/tmp/scwrl_519712814.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_519712814.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 196 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_441825023.pdb -s /var/tmp/to_scwrl_441825023.seq -o /var/tmp/from_scwrl_441825023.pdb > /var/tmp/scwrl_441825023.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_441825023.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 205 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_159000006.pdb -s /var/tmp/to_scwrl_159000006.seq -o /var/tmp/from_scwrl_159000006.pdb > /var/tmp/scwrl_159000006.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_159000006.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 198 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_545345164.pdb -s /var/tmp/to_scwrl_545345164.seq -o /var/tmp/from_scwrl_545345164.pdb > /var/tmp/scwrl_545345164.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_545345164.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 207 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1988861708.pdb -s /var/tmp/to_scwrl_1988861708.seq -o /var/tmp/from_scwrl_1988861708.pdb > /var/tmp/scwrl_1988861708.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1988861708.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 201 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_757851285.pdb -s /var/tmp/to_scwrl_757851285.seq -o /var/tmp/from_scwrl_757851285.pdb > /var/tmp/scwrl_757851285.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_757851285.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 T0324 can't currently be optimized by undertaker # naming current conformation NN_PUT_lab_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1562348393.pdb -s /var/tmp/to_scwrl_1562348393.seq -o /var/tmp/from_scwrl_1562348393.pdb > /var/tmp/scwrl_1562348393.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1562348393.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 # naming current conformation PROTINFO-AB_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_965135857.pdb -s /var/tmp/to_scwrl_965135857.seq -o /var/tmp/from_scwrl_965135857.pdb > /var/tmp/scwrl_965135857.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_965135857.pdb # conformation set from SCWRL output # naming current conformation PROTINFO-AB_TS1-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS2.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1642171211.pdb -s /var/tmp/to_scwrl_1642171211.seq -o /var/tmp/from_scwrl_1642171211.pdb > /var/tmp/scwrl_1642171211.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1642171211.pdb # conformation set from SCWRL output # naming current conformation PROTINFO-AB_TS2-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS3.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1789963955.pdb -s /var/tmp/to_scwrl_1789963955.seq -o /var/tmp/from_scwrl_1789963955.pdb > /var/tmp/scwrl_1789963955.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1789963955.pdb # conformation set from SCWRL output # naming current conformation PROTINFO-AB_TS3-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS4.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1350478565.pdb -s /var/tmp/to_scwrl_1350478565.seq -o /var/tmp/from_scwrl_1350478565.pdb > /var/tmp/scwrl_1350478565.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1350478565.pdb # conformation set from SCWRL output # naming current conformation PROTINFO-AB_TS4-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS5.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1687644169.pdb -s /var/tmp/to_scwrl_1687644169.seq -o /var/tmp/from_scwrl_1687644169.pdb > /var/tmp/scwrl_1687644169.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1687644169.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 193 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1914074696.pdb -s /var/tmp/to_scwrl_1914074696.seq -o /var/tmp/from_scwrl_1914074696.pdb > /var/tmp/scwrl_1914074696.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1914074696.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 173 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_732134923.pdb -s /var/tmp/to_scwrl_732134923.seq -o /var/tmp/from_scwrl_732134923.pdb > /var/tmp/scwrl_732134923.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_732134923.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 202 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1857727439.pdb -s /var/tmp/to_scwrl_1857727439.seq -o /var/tmp/from_scwrl_1857727439.pdb > /var/tmp/scwrl_1857727439.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1857727439.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 136 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_722450782.pdb -s /var/tmp/to_scwrl_722450782.seq -o /var/tmp/from_scwrl_722450782.pdb > /var/tmp/scwrl_722450782.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_722450782.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 # naming current conformation PROTINFO_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_745781878.pdb -s /var/tmp/to_scwrl_745781878.seq -o /var/tmp/from_scwrl_745781878.pdb > /var/tmp/scwrl_745781878.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_745781878.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 T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Pcons6_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1579899664.pdb -s /var/tmp/to_scwrl_1579899664.seq -o /var/tmp/from_scwrl_1579899664.pdb > /var/tmp/scwrl_1579899664.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1579899664.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 T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Pcons6_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1620493313.pdb -s /var/tmp/to_scwrl_1620493313.seq -o /var/tmp/from_scwrl_1620493313.pdb > /var/tmp/scwrl_1620493313.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1620493313.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 T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Pcons6_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1886236907.pdb -s /var/tmp/to_scwrl_1886236907.seq -o /var/tmp/from_scwrl_1886236907.pdb > /var/tmp/scwrl_1886236907.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1886236907.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 T0324 can't currently be optimized by undertaker # naming current conformation Pcons6_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_29422902.pdb -s /var/tmp/to_scwrl_29422902.seq -o /var/tmp/from_scwrl_29422902.pdb > /var/tmp/scwrl_29422902.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_29422902.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 T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Pcons6_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_214149856.pdb -s /var/tmp/to_scwrl_214149856.seq -o /var/tmp/from_scwrl_214149856.pdb > /var/tmp/scwrl_214149856.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_214149856.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 T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-1_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_53801733.pdb -s /var/tmp/to_scwrl_53801733.seq -o /var/tmp/from_scwrl_53801733.pdb > /var/tmp/scwrl_53801733.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_53801733.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 # Found a chain break before 194 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1728282466.pdb -s /var/tmp/to_scwrl_1728282466.seq -o /var/tmp/from_scwrl_1728282466.pdb > /var/tmp/scwrl_1728282466.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1728282466.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 207 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1208642660.pdb -s /var/tmp/to_scwrl_1208642660.seq -o /var/tmp/from_scwrl_1208642660.pdb > /var/tmp/scwrl_1208642660.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1208642660.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS2-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_2069282474.pdb -s /var/tmp/to_scwrl_2069282474.seq -o /var/tmp/from_scwrl_2069282474.pdb > /var/tmp/scwrl_2069282474.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2069282474.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 ; scwrl3 -i /var/tmp/to_scwrl_510345371.pdb -s /var/tmp/to_scwrl_510345371.seq -o /var/tmp/from_scwrl_510345371.pdb > /var/tmp/scwrl_510345371.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_510345371.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 # Found a chain break before 207 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1904205779.pdb -s /var/tmp/to_scwrl_1904205779.seq -o /var/tmp/from_scwrl_1904205779.pdb > /var/tmp/scwrl_1904205779.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1904205779.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS5-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1350127380.pdb -s /var/tmp/to_scwrl_1350127380.seq -o /var/tmp/from_scwrl_1350127380.pdb > /var/tmp/scwrl_1350127380.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1350127380.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 138 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1581854612.pdb -s /var/tmp/to_scwrl_1581854612.seq -o /var/tmp/from_scwrl_1581854612.pdb > /var/tmp/scwrl_1581854612.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1581854612.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS2-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS3.pdb.gz looking for model 1 # Found a chain break before 189 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1709446047.pdb -s /var/tmp/to_scwrl_1709446047.seq -o /var/tmp/from_scwrl_1709446047.pdb > /var/tmp/scwrl_1709446047.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1709446047.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 # Found a chain break before 192 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1869840195.pdb -s /var/tmp/to_scwrl_1869840195.seq -o /var/tmp/from_scwrl_1869840195.pdb > /var/tmp/scwrl_1869840195.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1869840195.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 T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_2023679636.pdb -s /var/tmp/to_scwrl_2023679636.seq -o /var/tmp/from_scwrl_2023679636.pdb > /var/tmp/scwrl_2023679636.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2023679636.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 # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1868446053.pdb -s /var/tmp/to_scwrl_1868446053.seq -o /var/tmp/from_scwrl_1868446053.pdb > /var/tmp/scwrl_1868446053.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1868446053.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 183 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_267701712.pdb -s /var/tmp/to_scwrl_267701712.seq -o /var/tmp/from_scwrl_267701712.pdb > /var/tmp/scwrl_267701712.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_267701712.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 184 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1865057697.pdb -s /var/tmp/to_scwrl_1865057697.seq -o /var/tmp/from_scwrl_1865057697.pdb > /var/tmp/scwrl_1865057697.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1865057697.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 # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_478813691.pdb -s /var/tmp/to_scwrl_478813691.seq -o /var/tmp/from_scwrl_478813691.pdb > /var/tmp/scwrl_478813691.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_478813691.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 133 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1830050105.pdb -s /var/tmp/to_scwrl_1830050105.seq -o /var/tmp/from_scwrl_1830050105.pdb > /var/tmp/scwrl_1830050105.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1830050105.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 139 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_682709907.pdb -s /var/tmp/to_scwrl_682709907.seq -o /var/tmp/from_scwrl_682709907.pdb > /var/tmp/scwrl_682709907.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_682709907.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 190 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_2120984902.pdb -s /var/tmp/to_scwrl_2120984902.seq -o /var/tmp/from_scwrl_2120984902.pdb > /var/tmp/scwrl_2120984902.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2120984902.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 179 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1472530413.pdb -s /var/tmp/to_scwrl_1472530413.seq -o /var/tmp/from_scwrl_1472530413.pdb > /var/tmp/scwrl_1472530413.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1472530413.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 204 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_2033188473.pdb -s /var/tmp/to_scwrl_2033188473.seq -o /var/tmp/from_scwrl_2033188473.pdb > /var/tmp/scwrl_2033188473.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2033188473.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 199 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1661145424.pdb -s /var/tmp/to_scwrl_1661145424.seq -o /var/tmp/from_scwrl_1661145424.pdb > /var/tmp/scwrl_1661145424.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1661145424.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 191 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1239121462.pdb -s /var/tmp/to_scwrl_1239121462.seq -o /var/tmp/from_scwrl_1239121462.pdb > /var/tmp/scwrl_1239121462.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1239121462.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 182 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_617839749.pdb -s /var/tmp/to_scwrl_617839749.seq -o /var/tmp/from_scwrl_617839749.pdb > /var/tmp/scwrl_617839749.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_617839749.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 186 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1371389217.pdb -s /var/tmp/to_scwrl_1371389217.seq -o /var/tmp/from_scwrl_1371389217.pdb > /var/tmp/scwrl_1371389217.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1371389217.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 201 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1961572244.pdb -s /var/tmp/to_scwrl_1961572244.seq -o /var/tmp/from_scwrl_1961572244.pdb > /var/tmp/scwrl_1961572244.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1961572244.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 199 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1363621626.pdb -s /var/tmp/to_scwrl_1363621626.seq -o /var/tmp/from_scwrl_1363621626.pdb > /var/tmp/scwrl_1363621626.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1363621626.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 192 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_803805235.pdb -s /var/tmp/to_scwrl_803805235.seq -o /var/tmp/from_scwrl_803805235.pdb > /var/tmp/scwrl_803805235.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_803805235.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 190 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1434581910.pdb -s /var/tmp/to_scwrl_1434581910.seq -o /var/tmp/from_scwrl_1434581910.pdb > /var/tmp/scwrl_1434581910.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1434581910.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 189 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1102374886.pdb -s /var/tmp/to_scwrl_1102374886.seq -o /var/tmp/from_scwrl_1102374886.pdb > /var/tmp/scwrl_1102374886.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1102374886.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 138 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_833228138.pdb -s /var/tmp/to_scwrl_833228138.seq -o /var/tmp/from_scwrl_833228138.pdb > /var/tmp/scwrl_833228138.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_833228138.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 138 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1648731766.pdb -s /var/tmp/to_scwrl_1648731766.seq -o /var/tmp/from_scwrl_1648731766.pdb > /var/tmp/scwrl_1648731766.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1648731766.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 184 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1156176620.pdb -s /var/tmp/to_scwrl_1156176620.seq -o /var/tmp/from_scwrl_1156176620.pdb > /var/tmp/scwrl_1156176620.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1156176620.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 176 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_414026957.pdb -s /var/tmp/to_scwrl_414026957.seq -o /var/tmp/from_scwrl_414026957.pdb > /var/tmp/scwrl_414026957.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_414026957.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 179 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_709890780.pdb -s /var/tmp/to_scwrl_709890780.seq -o /var/tmp/from_scwrl_709890780.pdb > /var/tmp/scwrl_709890780.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_709890780.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 186 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1077975447.pdb -s /var/tmp/to_scwrl_1077975447.seq -o /var/tmp/from_scwrl_1077975447.pdb > /var/tmp/scwrl_1077975447.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1077975447.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 194 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_924372328.pdb -s /var/tmp/to_scwrl_924372328.seq -o /var/tmp/from_scwrl_924372328.pdb > /var/tmp/scwrl_924372328.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_924372328.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 T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation SAM-T02_AL1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_466612913.pdb -s /var/tmp/to_scwrl_466612913.seq -o /var/tmp/from_scwrl_466612913.pdb > /var/tmp/scwrl_466612913.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_466612913.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 T0324 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_280619181.pdb -s /var/tmp/to_scwrl_280619181.seq -o /var/tmp/from_scwrl_280619181.pdb > /var/tmp/scwrl_280619181.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_280619181.pdb # conformation set from SCWRL output # naming current conformation SAM-T02_AL2-scwrl # ReadConformPDB reading from PDB file servers/SAM-T02_AL3.pdb.gz looking for model 1 Skipped atom 294, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 296, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 298, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 300, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 346, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 348, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 350, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 352, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 366, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 368, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 370, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 372, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 374, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 376, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 378, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 380, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 654, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 656, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 658, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 660, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation SAM-T02_AL3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_358743294.pdb -s /var/tmp/to_scwrl_358743294.seq -o /var/tmp/from_scwrl_358743294.pdb > /var/tmp/scwrl_358743294.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_358743294.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 30, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 32, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 34, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 36, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 94, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 96, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 98, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 100, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 202, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 204, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 206, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 208, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 470, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 472, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 474, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 476, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_28575313.pdb -s /var/tmp/to_scwrl_28575313.seq -o /var/tmp/from_scwrl_28575313.pdb > /var/tmp/scwrl_28575313.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_28575313.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 T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation SAM-T02_AL5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_2975729.pdb -s /var/tmp/to_scwrl_2975729.seq -o /var/tmp/from_scwrl_2975729.pdb > /var/tmp/scwrl_2975729.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2975729.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 Skipped atom 186, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL1.pdb.gz Skipped atom 188, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL1.pdb.gz Skipped atom 190, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL1.pdb.gz Skipped atom 192, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL1.pdb.gz Skipped atom 194, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL1.pdb.gz Skipped atom 196, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL1.pdb.gz Skipped atom 198, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL1.pdb.gz Skipped atom 200, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL1.pdb.gz Skipped atom 262, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL1.pdb.gz Skipped atom 264, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL1.pdb.gz Skipped atom 266, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL1.pdb.gz Skipped atom 268, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL1.pdb.gz # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_234939283.pdb -s /var/tmp/to_scwrl_234939283.seq -o /var/tmp/from_scwrl_234939283.pdb > /var/tmp/scwrl_234939283.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_234939283.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 T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation SAM-T99_AL2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1897021366.pdb -s /var/tmp/to_scwrl_1897021366.seq -o /var/tmp/from_scwrl_1897021366.pdb > /var/tmp/scwrl_1897021366.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1897021366.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL2-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL3.pdb.gz looking for model 1 Skipped atom 22, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 24, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 26, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 28, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 86, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 88, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 90, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 92, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 194, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 196, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 198, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 200, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 230, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 232, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 234, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 236, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 466, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 468, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 470, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 472, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_270677441.pdb -s /var/tmp/to_scwrl_270677441.seq -o /var/tmp/from_scwrl_270677441.pdb > /var/tmp/scwrl_270677441.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_270677441.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 T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation SAM-T99_AL4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_2099996980.pdb -s /var/tmp/to_scwrl_2099996980.seq -o /var/tmp/from_scwrl_2099996980.pdb > /var/tmp/scwrl_2099996980.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2099996980.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 Skipped atom 106, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz Skipped atom 108, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz Skipped atom 110, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz Skipped atom 112, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz Skipped atom 118, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz Skipped atom 120, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz Skipped atom 122, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz Skipped atom 124, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz Skipped atom 142, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz Skipped atom 144, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz Skipped atom 146, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz Skipped atom 148, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz Skipped atom 346, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz Skipped atom 348, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz Skipped atom 350, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz Skipped atom 352, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz Skipped atom 394, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz Skipped atom 396, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz Skipped atom 398, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz Skipped atom 400, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz Skipped atom 550, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz Skipped atom 552, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz Skipped atom 554, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz Skipped atom 556, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation SAM-T99_AL5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_228351410.pdb -s /var/tmp/to_scwrl_228351410.seq -o /var/tmp/from_scwrl_228351410.pdb > /var/tmp/scwrl_228351410.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_228351410.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 198 # copying to AlignedFragments data structure # naming current conformation SAM_T06_server_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_2100727547.pdb -s /var/tmp/to_scwrl_2100727547.seq -o /var/tmp/from_scwrl_2100727547.pdb > /var/tmp/scwrl_2100727547.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2100727547.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 T0324 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_635223241.pdb -s /var/tmp/to_scwrl_635223241.seq -o /var/tmp/from_scwrl_635223241.pdb > /var/tmp/scwrl_635223241.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_635223241.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 T0324 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_201852665.pdb -s /var/tmp/to_scwrl_201852665.seq -o /var/tmp/from_scwrl_201852665.pdb > /var/tmp/scwrl_201852665.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_201852665.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 T0324 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1425774313.pdb -s /var/tmp/to_scwrl_1425774313.seq -o /var/tmp/from_scwrl_1425774313.pdb > /var/tmp/scwrl_1425774313.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1425774313.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 T0324 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_520928067.pdb -s /var/tmp/to_scwrl_520928067.seq -o /var/tmp/from_scwrl_520928067.pdb > /var/tmp/scwrl_520928067.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_520928067.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 185 # copying to AlignedFragments data structure # naming current conformation SP3_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1862998090.pdb -s /var/tmp/to_scwrl_1862998090.seq -o /var/tmp/from_scwrl_1862998090.pdb > /var/tmp/scwrl_1862998090.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1862998090.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 184 # copying to AlignedFragments data structure # naming current conformation SP3_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_517412130.pdb -s /var/tmp/to_scwrl_517412130.seq -o /var/tmp/from_scwrl_517412130.pdb > /var/tmp/scwrl_517412130.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_517412130.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 185 # copying to AlignedFragments data structure # naming current conformation SP3_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1138767815.pdb -s /var/tmp/to_scwrl_1138767815.seq -o /var/tmp/from_scwrl_1138767815.pdb > /var/tmp/scwrl_1138767815.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1138767815.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 118 # copying to AlignedFragments data structure # naming current conformation SP3_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1086903660.pdb -s /var/tmp/to_scwrl_1086903660.seq -o /var/tmp/from_scwrl_1086903660.pdb > /var/tmp/scwrl_1086903660.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1086903660.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 180 # copying to AlignedFragments data structure # naming current conformation SP3_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_331500727.pdb -s /var/tmp/to_scwrl_331500727.seq -o /var/tmp/from_scwrl_331500727.pdb > /var/tmp/scwrl_331500727.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_331500727.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 184 # copying to AlignedFragments data structure # naming current conformation SP4_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_354905795.pdb -s /var/tmp/to_scwrl_354905795.seq -o /var/tmp/from_scwrl_354905795.pdb > /var/tmp/scwrl_354905795.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_354905795.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 185 # copying to AlignedFragments data structure # naming current conformation SP4_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1890708895.pdb -s /var/tmp/to_scwrl_1890708895.seq -o /var/tmp/from_scwrl_1890708895.pdb > /var/tmp/scwrl_1890708895.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1890708895.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 172 # copying to AlignedFragments data structure # naming current conformation SP4_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1766082638.pdb -s /var/tmp/to_scwrl_1766082638.seq -o /var/tmp/from_scwrl_1766082638.pdb > /var/tmp/scwrl_1766082638.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1766082638.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 118 # copying to AlignedFragments data structure # naming current conformation SP4_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1457280681.pdb -s /var/tmp/to_scwrl_1457280681.seq -o /var/tmp/from_scwrl_1457280681.pdb > /var/tmp/scwrl_1457280681.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1457280681.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 182 # copying to AlignedFragments data structure # naming current conformation SP4_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_576453386.pdb -s /var/tmp/to_scwrl_576453386.seq -o /var/tmp/from_scwrl_576453386.pdb > /var/tmp/scwrl_576453386.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_576453386.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 183 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1267330757.pdb -s /var/tmp/to_scwrl_1267330757.seq -o /var/tmp/from_scwrl_1267330757.pdb > /var/tmp/scwrl_1267330757.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1267330757.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 185 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_465973655.pdb -s /var/tmp/to_scwrl_465973655.seq -o /var/tmp/from_scwrl_465973655.pdb > /var/tmp/scwrl_465973655.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_465973655.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 157 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_990480343.pdb -s /var/tmp/to_scwrl_990480343.seq -o /var/tmp/from_scwrl_990480343.pdb > /var/tmp/scwrl_990480343.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_990480343.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 182 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1977221538.pdb -s /var/tmp/to_scwrl_1977221538.seq -o /var/tmp/from_scwrl_1977221538.pdb > /var/tmp/scwrl_1977221538.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1977221538.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 190 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1543949102.pdb -s /var/tmp/to_scwrl_1543949102.seq -o /var/tmp/from_scwrl_1543949102.pdb > /var/tmp/scwrl_1543949102.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1543949102.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 T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation UNI-EID_bnmx_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1914852671.pdb -s /var/tmp/to_scwrl_1914852671.seq -o /var/tmp/from_scwrl_1914852671.pdb > /var/tmp/scwrl_1914852671.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1914852671.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 T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation UNI-EID_bnmx_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_296350804.pdb -s /var/tmp/to_scwrl_296350804.seq -o /var/tmp/from_scwrl_296350804.pdb > /var/tmp/scwrl_296350804.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_296350804.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 T0324 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1824568284.pdb -s /var/tmp/to_scwrl_1824568284.seq -o /var/tmp/from_scwrl_1824568284.pdb > /var/tmp/scwrl_1824568284.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1824568284.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 T0324 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_126112318.pdb -s /var/tmp/to_scwrl_126112318.seq -o /var/tmp/from_scwrl_126112318.pdb > /var/tmp/scwrl_126112318.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_126112318.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 T0324 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_324926117.pdb -s /var/tmp/to_scwrl_324926117.seq -o /var/tmp/from_scwrl_324926117.pdb > /var/tmp/scwrl_324926117.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_324926117.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 T0324 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 ; scwrl3 -i /var/tmp/to_scwrl_1827544013.pdb -s /var/tmp/to_scwrl_1827544013.seq -o /var/tmp/from_scwrl_1827544013.pdb > /var/tmp/scwrl_1827544013.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1827544013.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 T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation UNI-EID_sfst_AL1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_361051601.pdb -s /var/tmp/to_scwrl_361051601.seq -o /var/tmp/from_scwrl_361051601.pdb > /var/tmp/scwrl_361051601.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_361051601.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 Skipped atom 34, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 36, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 38, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 40, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 98, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 100, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 102, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 104, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 202, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 204, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 206, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 208, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 474, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 476, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 478, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 480, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_74463836.pdb -s /var/tmp/to_scwrl_74463836.seq -o /var/tmp/from_scwrl_74463836.pdb > /var/tmp/scwrl_74463836.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_74463836.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 T0324 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_2098221455.pdb -s /var/tmp/to_scwrl_2098221455.seq -o /var/tmp/from_scwrl_2098221455.pdb > /var/tmp/scwrl_2098221455.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2098221455.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 T0324 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_313564934.pdb -s /var/tmp/to_scwrl_313564934.seq -o /var/tmp/from_scwrl_313564934.pdb > /var/tmp/scwrl_313564934.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_313564934.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 Skipped atom 302, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 304, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 306, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 308, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 350, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 352, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 354, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 356, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 370, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 372, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 374, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 376, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 378, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 380, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 382, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 384, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 658, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 660, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 662, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 664, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation UNI-EID_sfst_AL5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_302815246.pdb -s /var/tmp/to_scwrl_302815246.seq -o /var/tmp/from_scwrl_302815246.pdb > /var/tmp/scwrl_302815246.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_302815246.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 194 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_2051465355.pdb -s /var/tmp/to_scwrl_2051465355.seq -o /var/tmp/from_scwrl_2051465355.pdb > /var/tmp/scwrl_2051465355.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2051465355.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 184 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_948788175.pdb -s /var/tmp/to_scwrl_948788175.seq -o /var/tmp/from_scwrl_948788175.pdb > /var/tmp/scwrl_948788175.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_948788175.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 190 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_504667911.pdb -s /var/tmp/to_scwrl_504667911.seq -o /var/tmp/from_scwrl_504667911.pdb > /var/tmp/scwrl_504667911.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_504667911.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 206 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1329756021.pdb -s /var/tmp/to_scwrl_1329756021.seq -o /var/tmp/from_scwrl_1329756021.pdb > /var/tmp/scwrl_1329756021.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1329756021.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 190 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1469716241.pdb -s /var/tmp/to_scwrl_1469716241.seq -o /var/tmp/from_scwrl_1469716241.pdb > /var/tmp/scwrl_1469716241.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1469716241.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 207 # copying to AlignedFragments data structure # naming current conformation beautshot_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_220182354.pdb -s /var/tmp/to_scwrl_220182354.seq -o /var/tmp/from_scwrl_220182354.pdb > /var/tmp/scwrl_220182354.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_220182354.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 # Found a chain break before 195 # copying to AlignedFragments data structure # naming current conformation beautshotbase_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1847168151.pdb -s /var/tmp/to_scwrl_1847168151.seq -o /var/tmp/from_scwrl_1847168151.pdb > /var/tmp/scwrl_1847168151.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1847168151.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 Skipped atom 63, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL1.pdb.gz Skipped atom 64, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL1.pdb.gz Skipped atom 97, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL1.pdb.gz Skipped atom 606, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL1.pdb.gz Skipped atom 611, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL1.pdb.gz Skipped atom 732, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL1.pdb.gz # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation forecast-s_AL1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_461000410.pdb -s /var/tmp/to_scwrl_461000410.seq -o /var/tmp/from_scwrl_461000410.pdb > /var/tmp/scwrl_461000410.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_461000410.pdb # conformation set from SCWRL output # naming current conformation forecast-s_AL1-scwrl # ReadConformPDB reading from PDB file servers/forecast-s_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # naming current conformation forecast-s_AL2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1307086014.pdb -s /var/tmp/to_scwrl_1307086014.seq -o /var/tmp/from_scwrl_1307086014.pdb > /var/tmp/scwrl_1307086014.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1307086014.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 T0324 can't currently be optimized by undertaker # naming current conformation forecast-s_AL3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_31185232.pdb -s /var/tmp/to_scwrl_31185232.seq -o /var/tmp/from_scwrl_31185232.pdb > /var/tmp/scwrl_31185232.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_31185232.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 Skipped atom 62, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL4.pdb.gz Skipped atom 64, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL4.pdb.gz Skipped atom 66, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL4.pdb.gz Skipped atom 68, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL4.pdb.gz Skipped atom 82, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL4.pdb.gz Skipped atom 84, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL4.pdb.gz Skipped atom 86, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL4.pdb.gz Skipped atom 88, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL4.pdb.gz Skipped atom 210, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL4.pdb.gz Skipped atom 212, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL4.pdb.gz Skipped atom 214, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL4.pdb.gz Skipped atom 216, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL4.pdb.gz Skipped atom 774, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL4.pdb.gz Skipped atom 776, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL4.pdb.gz Skipped atom 778, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL4.pdb.gz Skipped atom 780, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL4.pdb.gz # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # naming current conformation forecast-s_AL4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_815906205.pdb -s /var/tmp/to_scwrl_815906205.seq -o /var/tmp/from_scwrl_815906205.pdb > /var/tmp/scwrl_815906205.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_815906205.pdb # conformation set from SCWRL output # naming current conformation forecast-s_AL4-scwrl # ReadConformPDB reading from PDB file servers/forecast-s_AL5.pdb.gz looking for model 1 Skipped atom 38, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL5.pdb.gz Skipped atom 40, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL5.pdb.gz Skipped atom 42, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL5.pdb.gz Skipped atom 44, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL5.pdb.gz Skipped atom 242, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL5.pdb.gz Skipped atom 244, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL5.pdb.gz Skipped atom 246, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL5.pdb.gz Skipped atom 248, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL5.pdb.gz Skipped atom 262, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL5.pdb.gz Skipped atom 264, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL5.pdb.gz Skipped atom 266, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL5.pdb.gz Skipped atom 268, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL5.pdb.gz Skipped atom 530, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL5.pdb.gz Skipped atom 532, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL5.pdb.gz Skipped atom 534, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL5.pdb.gz Skipped atom 536, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL5.pdb.gz Skipped atom 642, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL5.pdb.gz Skipped atom 644, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL5.pdb.gz Skipped atom 646, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL5.pdb.gz Skipped atom 648, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL5.pdb.gz # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # naming current conformation forecast-s_AL5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1050311264.pdb -s /var/tmp/to_scwrl_1050311264.seq -o /var/tmp/from_scwrl_1050311264.pdb > /var/tmp/scwrl_1050311264.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1050311264.pdb # conformation set from SCWRL output # naming current conformation forecast-s_AL5-scwrl # ReadConformPDB reading from PDB file servers/gtg_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # naming current conformation gtg_AL4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1797267870.pdb -s /var/tmp/to_scwrl_1797267870.seq -o /var/tmp/from_scwrl_1797267870.pdb > /var/tmp/scwrl_1797267870.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1797267870.pdb # conformation set from SCWRL output # naming current conformation gtg_AL4-scwrl # ReadConformPDB reading from PDB file servers/gtg_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # naming current conformation gtg_AL5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_125703240.pdb -s /var/tmp/to_scwrl_125703240.seq -o /var/tmp/from_scwrl_125703240.pdb > /var/tmp/scwrl_125703240.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_125703240.pdb # conformation set from SCWRL output # naming current conformation gtg_AL5-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS1.pdb.gz looking for model 1 # Found a chain break before 204 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1626764649.pdb -s /var/tmp/to_scwrl_1626764649.seq -o /var/tmp/from_scwrl_1626764649.pdb > /var/tmp/scwrl_1626764649.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1626764649.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 172 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_917114981.pdb -s /var/tmp/to_scwrl_917114981.seq -o /var/tmp/from_scwrl_917114981.pdb > /var/tmp/scwrl_917114981.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_917114981.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 187 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_591676895.pdb -s /var/tmp/to_scwrl_591676895.seq -o /var/tmp/from_scwrl_591676895.pdb > /var/tmp/scwrl_591676895.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_591676895.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 191 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_469761346.pdb -s /var/tmp/to_scwrl_469761346.seq -o /var/tmp/from_scwrl_469761346.pdb > /var/tmp/scwrl_469761346.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_469761346.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 205 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_746852872.pdb -s /var/tmp/to_scwrl_746852872.seq -o /var/tmp/from_scwrl_746852872.pdb > /var/tmp/scwrl_746852872.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_746852872.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: (T0324)T104.O and (T0324)S105.N only 0.000 apart, marking (T0324)S105.N as missing # WARNING: incomplete conformation T0324 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 ; scwrl3 -i /var/tmp/to_scwrl_2135625998.pdb -s /var/tmp/to_scwrl_2135625998.seq -o /var/tmp/from_scwrl_2135625998.pdb > /var/tmp/scwrl_2135625998.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2135625998.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS1-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS2.pdb.gz looking for model 1 # Found a chain break before 205 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_237130370.pdb -s /var/tmp/to_scwrl_237130370.seq -o /var/tmp/from_scwrl_237130370.pdb > /var/tmp/scwrl_237130370.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_237130370.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS2-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS3.pdb.gz looking for model 1 WARNING: atoms too close: (T0324)S129.O and (T0324)A130.N only 0.000 apart, marking (T0324)A130.N as missing # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1043203676.pdb -s /var/tmp/to_scwrl_1043203676.seq -o /var/tmp/from_scwrl_1043203676.pdb > /var/tmp/scwrl_1043203676.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1043203676.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: (T0324)A180.O and (T0324)V181.N only 0.000 apart, marking (T0324)V181.N as missing # WARNING: incomplete conformation T0324 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 ; scwrl3 -i /var/tmp/to_scwrl_1812710635.pdb -s /var/tmp/to_scwrl_1812710635.seq -o /var/tmp/from_scwrl_1812710635.pdb > /var/tmp/scwrl_1812710635.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1812710635.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: (T0324)T133.O and (T0324)P134.N only 0.000 apart, marking (T0324)P134.N as missing # WARNING: incomplete conformation T0324 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 ; scwrl3 -i /var/tmp/to_scwrl_363242688.pdb -s /var/tmp/to_scwrl_363242688.seq -o /var/tmp/from_scwrl_363242688.pdb > /var/tmp/scwrl_363242688.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_363242688.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 191 # copying to AlignedFragments data structure # naming current conformation karypis.srv_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1368129792.pdb -s /var/tmp/to_scwrl_1368129792.seq -o /var/tmp/from_scwrl_1368129792.pdb > /var/tmp/scwrl_1368129792.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1368129792.pdb # conformation set from SCWRL output # naming current conformation karypis.srv_TS1-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1492771001.pdb -s /var/tmp/to_scwrl_1492771001.seq -o /var/tmp/from_scwrl_1492771001.pdb > /var/tmp/scwrl_1492771001.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1492771001.pdb # conformation set from SCWRL output # naming current conformation karypis.srv_TS2-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0324 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 ; scwrl3 -i /var/tmp/to_scwrl_724294289.pdb -s /var/tmp/to_scwrl_724294289.seq -o /var/tmp/from_scwrl_724294289.pdb > /var/tmp/scwrl_724294289.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_724294289.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 # Found a chain break before 191 # copying to AlignedFragments data structure # naming current conformation karypis.srv_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1442593628.pdb -s /var/tmp/to_scwrl_1442593628.seq -o /var/tmp/from_scwrl_1442593628.pdb > /var/tmp/scwrl_1442593628.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1442593628.pdb # conformation set from SCWRL output # naming current conformation karypis.srv_TS4-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS1.pdb.gz looking for model 1 # Found a chain break before 181 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1443508809.pdb -s /var/tmp/to_scwrl_1443508809.seq -o /var/tmp/from_scwrl_1443508809.pdb > /var/tmp/scwrl_1443508809.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1443508809.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS1-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS2.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1037859223.pdb -s /var/tmp/to_scwrl_1037859223.seq -o /var/tmp/from_scwrl_1037859223.pdb > /var/tmp/scwrl_1037859223.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1037859223.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 175 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1745408874.pdb -s /var/tmp/to_scwrl_1745408874.seq -o /var/tmp/from_scwrl_1745408874.pdb > /var/tmp/scwrl_1745408874.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1745408874.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 # Found a chain break before 190 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1347490517.pdb -s /var/tmp/to_scwrl_1347490517.seq -o /var/tmp/from_scwrl_1347490517.pdb > /var/tmp/scwrl_1347490517.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1347490517.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 194 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1986647398.pdb -s /var/tmp/to_scwrl_1986647398.seq -o /var/tmp/from_scwrl_1986647398.pdb > /var/tmp/scwrl_1986647398.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1986647398.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 T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation mGen-3D_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_102593139.pdb -s /var/tmp/to_scwrl_102593139.seq -o /var/tmp/from_scwrl_102593139.pdb > /var/tmp/scwrl_102593139.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_102593139.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 T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation nFOLD_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_529762893.pdb -s /var/tmp/to_scwrl_529762893.seq -o /var/tmp/from_scwrl_529762893.pdb > /var/tmp/scwrl_529762893.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_529762893.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 T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation nFOLD_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1308879992.pdb -s /var/tmp/to_scwrl_1308879992.seq -o /var/tmp/from_scwrl_1308879992.pdb > /var/tmp/scwrl_1308879992.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1308879992.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 T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation nFOLD_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_322775493.pdb -s /var/tmp/to_scwrl_322775493.seq -o /var/tmp/from_scwrl_322775493.pdb > /var/tmp/scwrl_322775493.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_322775493.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 T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation nFOLD_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_229447397.pdb -s /var/tmp/to_scwrl_229447397.seq -o /var/tmp/from_scwrl_229447397.pdb > /var/tmp/scwrl_229447397.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_229447397.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 T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation nFOLD_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1769880403.pdb -s /var/tmp/to_scwrl_1769880403.seq -o /var/tmp/from_scwrl_1769880403.pdb > /var/tmp/scwrl_1769880403.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1769880403.pdb # conformation set from SCWRL output # naming current conformation nFOLD_TS5-scwrl # ReadConformPDB reading from PDB file servers/panther2_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # naming current conformation panther2_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1629861508.pdb -s /var/tmp/to_scwrl_1629861508.seq -o /var/tmp/from_scwrl_1629861508.pdb > /var/tmp/scwrl_1629861508.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1629861508.pdb # conformation set from SCWRL output # naming current conformation panther2_TS1-scwrl # ReadConformPDB reading from PDB file servers/shub_TS1.pdb.gz looking for model 1 # Found a chain break before 203 # copying to AlignedFragments data structure # naming current conformation shub_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_260632629.pdb -s /var/tmp/to_scwrl_260632629.seq -o /var/tmp/from_scwrl_260632629.pdb > /var/tmp/scwrl_260632629.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_260632629.pdb # conformation set from SCWRL output # naming current conformation shub_TS1-scwrl # command:CPU_time= 40.5638 sec, elapsed time= 435.717 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 = -70.1882 shub_TS1 costs 0 real_cost = -72.1489 panther2_TS1-scwrl costs 0 real_cost = 102.731 panther2_TS1 costs 0 real_cost = 38.3789 nFOLD_TS5-scwrl costs 0 real_cost = -41.5374 nFOLD_TS5 costs 0 real_cost = 76.0834 nFOLD_TS4-scwrl costs 0 real_cost = -48.5198 nFOLD_TS4 costs 0 real_cost = 67.8836 nFOLD_TS3-scwrl costs 0 real_cost = 4.52085 nFOLD_TS3 costs 0 real_cost = 4.52872 nFOLD_TS2-scwrl costs 0 real_cost = 106.602 nFOLD_TS2 costs 0 real_cost = 106.606 nFOLD_TS1-scwrl costs 0 real_cost = -95.9093 nFOLD_TS1 costs 0 real_cost = 12.6785 mGen-3D_TS1-scwrl costs 0 real_cost = 2.61169 mGen-3D_TS1 costs 0 real_cost = 2.61886 keasar-server_TS5-scwrl costs 0 real_cost = -136.628 keasar-server_TS5 costs 0 real_cost = -132.697 keasar-server_TS4-scwrl costs 0 real_cost = -133.922 keasar-server_TS4 costs 0 real_cost = -122.434 keasar-server_TS3-scwrl costs 0 real_cost = -116.435 keasar-server_TS3 costs 0 real_cost = -102.697 keasar-server_TS2-scwrl costs 0 real_cost = -16.9494 keasar-server_TS2 costs 0 real_cost = -6.97522 keasar-server_TS1-scwrl costs 0 real_cost = -3.24502 keasar-server_TS1 costs 0 real_cost = 2.86546 karypis.srv_TS4-scwrl costs 0 real_cost = -38.4117 karypis.srv_TS4 costs 0 real_cost = -38.37 karypis.srv_TS3-scwrl costs 0 real_cost = -105.071 karypis.srv_TS3 costs 0 real_cost = -105.546 karypis.srv_TS2-scwrl costs 0 real_cost = -28.1479 karypis.srv_TS2 costs 0 real_cost = -27.4743 karypis.srv_TS1-scwrl costs 0 real_cost = -82.6528 karypis.srv_TS1 costs 0 real_cost = -82.6528 karypis.srv.4_TS5-scwrl costs 0 real_cost = 282.626 karypis.srv.4_TS5 costs 0 real_cost = 283.002 karypis.srv.4_TS4-scwrl costs 0 real_cost = 288.449 karypis.srv.4_TS4 costs 0 real_cost = 288.449 karypis.srv.4_TS3-scwrl costs 0 real_cost = 295.932 karypis.srv.4_TS3 costs 0 real_cost = 295.945 karypis.srv.4_TS2-scwrl costs 0 real_cost = 328.947 karypis.srv.4_TS2 costs 0 real_cost = 328.947 karypis.srv.4_TS1-scwrl costs 0 real_cost = 254.866 karypis.srv.4_TS1 costs 0 real_cost = 256.035 karypis.srv.2_TS5-scwrl costs 0 real_cost = -131.85 karypis.srv.2_TS5 costs 0 real_cost = -132.192 karypis.srv.2_TS4-scwrl costs 0 real_cost = -79.7211 karypis.srv.2_TS4 costs 0 real_cost = -79.7066 karypis.srv.2_TS3-scwrl costs 0 real_cost = -122.891 karypis.srv.2_TS3 costs 0 real_cost = -122.891 karypis.srv.2_TS2-scwrl costs 0 real_cost = -124.44 karypis.srv.2_TS2 costs 0 real_cost = -124.27 karypis.srv.2_TS1-scwrl costs 0 real_cost = -124.738 karypis.srv.2_TS1 costs 0 real_cost = -124.738 gtg_AL5-scwrl costs 0 real_cost = 175.903 gtg_AL5 costs 0 real_cost = 315.172 gtg_AL4-scwrl costs 0 real_cost = 37.3546 gtg_AL4 costs 0 real_cost = 173.455 forecast-s_AL5-scwrl costs 0 real_cost = 280.337 forecast-s_AL5 costs 0 real_cost = 396.586 forecast-s_AL4-scwrl costs 0 real_cost = 290.847 forecast-s_AL4 costs 0 real_cost = 404.731 forecast-s_AL3-scwrl costs 0 real_cost = 135.849 forecast-s_AL3 costs 0 real_cost = 240.125 forecast-s_AL2-scwrl costs 0 real_cost = 155.09 forecast-s_AL2 costs 0 real_cost = 256.583 forecast-s_AL1-scwrl costs 0 real_cost = 262.117 forecast-s_AL1 costs 0 real_cost = 409.941 beautshotbase_TS1-scwrl costs 0 real_cost = -142.259 beautshotbase_TS1 costs 0 real_cost = -138.434 beautshot_TS1-scwrl costs 0 real_cost = -137.63 beautshot_TS1 costs 0 real_cost = -133.848 Zhang-Server_TS5-scwrl costs 0 real_cost = -9.8557 Zhang-Server_TS5 costs 0 real_cost = -1.95773 Zhang-Server_TS4-scwrl costs 0 real_cost = -83.2966 Zhang-Server_TS4 costs 0 real_cost = -77.0791 Zhang-Server_TS3-scwrl costs 0 real_cost = -9.39308 Zhang-Server_TS3 costs 0 real_cost = -1.34935 Zhang-Server_TS2-scwrl costs 0 real_cost = -174.237 Zhang-Server_TS2 costs 0 real_cost = -171.114 Zhang-Server_TS1-scwrl costs 0 real_cost = -178.192 Zhang-Server_TS1 costs 0 real_cost = -180.292 UNI-EID_sfst_AL5-scwrl costs 0 real_cost = -95.6872 UNI-EID_sfst_AL5 costs 0 real_cost = 55.1931 UNI-EID_sfst_AL4-scwrl costs 0 real_cost = 21.6422 UNI-EID_sfst_AL4 costs 0 real_cost = 150.202 UNI-EID_sfst_AL3-scwrl costs 0 real_cost = -86.4524 UNI-EID_sfst_AL3 costs 0 real_cost = 56.6104 UNI-EID_sfst_AL2-scwrl costs 0 real_cost = -94.0145 UNI-EID_sfst_AL2 costs 0 real_cost = 50.1437 UNI-EID_sfst_AL1-scwrl costs 0 real_cost = -150.462 UNI-EID_sfst_AL1 costs 0 real_cost = -2.46491 UNI-EID_expm_TS1-scwrl costs 0 real_cost = -54.6119 UNI-EID_expm_TS1 costs 0 real_cost = -54.6043 UNI-EID_bnmx_TS5-scwrl costs 0 real_cost = 23.7168 UNI-EID_bnmx_TS5 costs 0 real_cost = 150.91 UNI-EID_bnmx_TS4-scwrl costs 0 real_cost = -39.2398 UNI-EID_bnmx_TS4 costs 0 real_cost = 89.4758 UNI-EID_bnmx_TS3-scwrl costs 0 real_cost = -86.4524 UNI-EID_bnmx_TS3 costs 0 real_cost = 56.6104 UNI-EID_bnmx_TS2-scwrl costs 0 real_cost = -109.974 UNI-EID_bnmx_TS2 costs 0 real_cost = 39.3772 UNI-EID_bnmx_TS1-scwrl costs 0 real_cost = -146.938 UNI-EID_bnmx_TS1 costs 0 real_cost = 1.4628 SPARKS2_TS5-scwrl costs 0 real_cost = -66.031 SPARKS2_TS5 costs 0 real_cost = -62.3886 SPARKS2_TS4-scwrl costs 0 real_cost = -10.4687 SPARKS2_TS4 costs 0 real_cost = -6.75939 SPARKS2_TS3-scwrl costs 0 real_cost = -25.0596 SPARKS2_TS3 costs 0 real_cost = -23.8057 SPARKS2_TS2-scwrl costs 0 real_cost = -62.7395 SPARKS2_TS2 costs 0 real_cost = -53.4803 SPARKS2_TS1-scwrl costs 0 real_cost = -167.989 SPARKS2_TS1 costs 0 real_cost = -164.178 SP4_TS5-scwrl costs 0 real_cost = -94.1056 SP4_TS5 costs 0 real_cost = -89.9421 SP4_TS4-scwrl costs 0 real_cost = -35.9082 SP4_TS4 costs 0 real_cost = -28.2288 SP4_TS3-scwrl costs 0 real_cost = -8.49456 SP4_TS3 costs 0 real_cost = 1.11322 SP4_TS2-scwrl costs 0 real_cost = -93.4214 SP4_TS2 costs 0 real_cost = -95.397 SP4_TS1-scwrl costs 0 real_cost = -164.484 SP4_TS1 costs 0 real_cost = -160.405 SP3_TS5-scwrl costs 0 real_cost = -55.714 SP3_TS5 costs 0 real_cost = -46.6207 SP3_TS4-scwrl costs 0 real_cost = -35.9082 SP3_TS4 costs 0 real_cost = -28.2288 SP3_TS3-scwrl costs 0 real_cost = -3.49449 SP3_TS3 costs 0 real_cost = 3.37622 SP3_TS2-scwrl costs 0 real_cost = -164.484 SP3_TS2 costs 0 real_cost = -160.405 SP3_TS1-scwrl costs 0 real_cost = -62.7395 SP3_TS1 costs 0 real_cost = -53.4803 SAM_T06_server_TS5-scwrl costs 0 real_cost = 35.1967 SAM_T06_server_TS5 costs 0 real_cost = 16.3141 SAM_T06_server_TS4-scwrl costs 0 real_cost = 9.23938 SAM_T06_server_TS4 costs 0 real_cost = -39.122 SAM_T06_server_TS3-scwrl costs 0 real_cost = -16.1613 SAM_T06_server_TS3 costs 0 real_cost = -58.1714 SAM_T06_server_TS2-scwrl costs 0 real_cost = -26.8023 SAM_T06_server_TS2 costs 0 real_cost = -80.8019 SAM_T06_server_TS1-scwrl costs 0 real_cost = -41.4165 SAM_T06_server_TS1 costs 0 real_cost = -37.3355 SAM-T99_AL5-scwrl costs 0 real_cost = -27.3472 SAM-T99_AL5 costs 0 real_cost = 118.845 SAM-T99_AL4-scwrl costs 0 real_cost = 11.7164 SAM-T99_AL4 costs 0 real_cost = 160.511 SAM-T99_AL3-scwrl costs 0 real_cost = -63.3076 SAM-T99_AL3 costs 0 real_cost = 67.5105 SAM-T99_AL2-scwrl costs 0 real_cost = -145.398 SAM-T99_AL2 costs 0 real_cost = 0.671564 SAM-T99_AL1-scwrl costs 0 real_cost = -70.7328 SAM-T99_AL1 costs 0 real_cost = 59.7731 SAM-T02_AL5-scwrl costs 0 real_cost = -46.1399 SAM-T02_AL5 costs 0 real_cost = 107.872 SAM-T02_AL4-scwrl costs 0 real_cost = -64.9859 SAM-T02_AL4 costs 0 real_cost = 71.7921 SAM-T02_AL3-scwrl costs 0 real_cost = -83.5898 SAM-T02_AL3 costs 0 real_cost = 64.7131 SAM-T02_AL2-scwrl costs 0 real_cost = -79.5968 SAM-T02_AL2 costs 0 real_cost = 57.1751 SAM-T02_AL1-scwrl costs 0 real_cost = -123.901 SAM-T02_AL1 costs 0 real_cost = 16.652 ROKKY_TS5-scwrl costs 0 real_cost = -48.9688 ROKKY_TS5 costs 0 real_cost = -46.5043 ROKKY_TS4-scwrl costs 0 real_cost = -102.555 ROKKY_TS4 costs 0 real_cost = -94.3365 ROKKY_TS3-scwrl costs 0 real_cost = -38.6503 ROKKY_TS3 costs 0 real_cost = -31.025 ROKKY_TS2-scwrl costs 0 real_cost = -59.1271 ROKKY_TS2 costs 0 real_cost = -53.7839 ROKKY_TS1-scwrl costs 0 real_cost = -149.85 ROKKY_TS1 costs 0 real_cost = -151.396 ROBETTA_TS5-scwrl costs 0 real_cost = -167.973 ROBETTA_TS5 costs 0 real_cost = -164.791 ROBETTA_TS4-scwrl costs 0 real_cost = -161.879 ROBETTA_TS4 costs 0 real_cost = -159.372 ROBETTA_TS3-scwrl costs 0 real_cost = -157.424 ROBETTA_TS3 costs 0 real_cost = -154.527 ROBETTA_TS2-scwrl costs 0 real_cost = -149.634 ROBETTA_TS2 costs 0 real_cost = -145.206 ROBETTA_TS1-scwrl costs 0 real_cost = -153.456 ROBETTA_TS1 costs 0 real_cost = -147.315 RAPTOR_TS5-scwrl costs 0 real_cost = -78.8752 RAPTOR_TS5 costs 0 real_cost = -71.9106 RAPTOR_TS4-scwrl costs 0 real_cost = -99.0947 RAPTOR_TS4 costs 0 real_cost = -88.3254 RAPTOR_TS3-scwrl costs 0 real_cost = -110.203 RAPTOR_TS3 costs 0 real_cost = -99.8477 RAPTOR_TS2-scwrl costs 0 real_cost = -44.5864 RAPTOR_TS2 costs 0 real_cost = -43.8552 RAPTOR_TS1-scwrl costs 0 real_cost = -166.301 RAPTOR_TS1 costs 0 real_cost = -160.084 RAPTORESS_TS5-scwrl costs 0 real_cost = -69.3029 RAPTORESS_TS5 costs 0 real_cost = -63.9394 RAPTORESS_TS4-scwrl costs 0 real_cost = -80.5967 RAPTORESS_TS4 costs 0 real_cost = -71.9788 RAPTORESS_TS3-scwrl costs 0 real_cost = -90.2132 RAPTORESS_TS3 costs 0 real_cost = -88.8378 RAPTORESS_TS2-scwrl costs 0 real_cost = -33.2663 RAPTORESS_TS2 costs 0 real_cost = -29.6887 RAPTORESS_TS1-scwrl costs 0 real_cost = -161.256 RAPTORESS_TS1 costs 0 real_cost = -159.426 RAPTOR-ACE_TS5-scwrl costs 0 real_cost = -53.8859 RAPTOR-ACE_TS5 costs 0 real_cost = -52.8652 RAPTOR-ACE_TS4-scwrl costs 0 real_cost = -131.592 RAPTOR-ACE_TS4 costs 0 real_cost = -130.246 RAPTOR-ACE_TS3-scwrl costs 0 real_cost = -164.484 RAPTOR-ACE_TS3 costs 0 real_cost = -160.405 RAPTOR-ACE_TS2-scwrl costs 0 real_cost = -151.128 RAPTOR-ACE_TS2 costs 0 real_cost = -143.385 RAPTOR-ACE_TS1-scwrl costs 0 real_cost = -164.383 RAPTOR-ACE_TS1 costs 0 real_cost = -163.273 Pmodeller6_TS5-scwrl costs 0 real_cost = -156.674 Pmodeller6_TS5 costs 0 real_cost = -156.617 Pmodeller6_TS4-scwrl costs 0 real_cost = -153.456 Pmodeller6_TS4 costs 0 real_cost = -147.315 Pmodeller6_TS3-scwrl costs 0 real_cost = -157.424 Pmodeller6_TS3 costs 0 real_cost = -154.527 Pmodeller6_TS2-scwrl costs 0 real_cost = -161.879 Pmodeller6_TS2 costs 0 real_cost = -159.372 Pmodeller6_TS1-scwrl costs 0 real_cost = -111.5 Pmodeller6_TS1 costs 0 real_cost = -111.209 Phyre-2_TS5-scwrl costs 0 real_cost = -107.533 Phyre-2_TS5 costs 0 real_cost = -106.267 Phyre-2_TS4-scwrl costs 0 real_cost = -118.478 Phyre-2_TS4 costs 0 real_cost = -116.599 Phyre-2_TS3-scwrl costs 0 real_cost = -105.643 Phyre-2_TS3 costs 0 real_cost = -105.566 Phyre-2_TS2-scwrl costs 0 real_cost = -100.169 Phyre-2_TS2 costs 0 real_cost = -99.173 Phyre-2_TS1-scwrl costs 0 real_cost = -106.475 Phyre-2_TS1 costs 0 real_cost = -105.148 Phyre-1_TS1-scwrl costs 0 real_cost = -80.0671 Phyre-1_TS1 costs 0 real_cost = -78.583 Pcons6_TS5-scwrl costs 0 real_cost = -103.04 Pcons6_TS5 costs 0 real_cost = -103.04 Pcons6_TS4-scwrl costs 0 real_cost = -89.4787 Pcons6_TS4 costs 0 real_cost = -92.6534 Pcons6_TS3-scwrl costs 0 real_cost = -156.674 Pcons6_TS3 costs 0 real_cost = -156.617 Pcons6_TS2-scwrl costs 0 real_cost = -142.044 Pcons6_TS2 costs 0 real_cost = -142.044 Pcons6_TS1-scwrl costs 0 real_cost = -129.076 Pcons6_TS1 costs 0 real_cost = -127.862 PROTINFO_TS5-scwrl costs 0 real_cost = -127.837 PROTINFO_TS5 costs 0 real_cost = -132.916 PROTINFO_TS4-scwrl costs 0 real_cost = -46.7251 PROTINFO_TS4 costs 0 real_cost = -51.5811 PROTINFO_TS3-scwrl costs 0 real_cost = -9.31774 PROTINFO_TS3 costs 0 real_cost = -8.82261 PROTINFO_TS2-scwrl costs 0 real_cost = -26.8063 PROTINFO_TS2 costs 0 real_cost = -29.4141 PROTINFO_TS1-scwrl costs 0 real_cost = -99.3999 PROTINFO_TS1 costs 0 real_cost = -102.708 PROTINFO-AB_TS5-scwrl costs 0 real_cost = -21.223 PROTINFO-AB_TS5 costs 0 real_cost = -31.9946 PROTINFO-AB_TS4-scwrl costs 0 real_cost = -31.3289 PROTINFO-AB_TS4 costs 0 real_cost = -29.4264 PROTINFO-AB_TS3-scwrl costs 0 real_cost = -111.671 PROTINFO-AB_TS3 costs 0 real_cost = -113.895 PROTINFO-AB_TS2-scwrl costs 0 real_cost = -113.352 PROTINFO-AB_TS2 costs 0 real_cost = -113.985 PROTINFO-AB_TS1-scwrl costs 0 real_cost = -113.49 PROTINFO-AB_TS1 costs 0 real_cost = -119.224 NN_PUT_lab_TS1-scwrl costs 0 real_cost = 41.8767 NN_PUT_lab_TS1 costs 0 real_cost = 46.6125 MetaTasser_TS5-scwrl costs 0 real_cost = -27.1208 MetaTasser_TS5 costs 0 real_cost = -20.854 MetaTasser_TS4-scwrl costs 0 real_cost = -11.7929 MetaTasser_TS4 costs 0 real_cost = -16.3909 MetaTasser_TS3-scwrl costs 0 real_cost = -50.332 MetaTasser_TS3 costs 0 real_cost = -50.1661 MetaTasser_TS2-scwrl costs 0 real_cost = -26.0526 MetaTasser_TS2 costs 0 real_cost = -30.9781 MetaTasser_TS1-scwrl costs 0 real_cost = -154.461 MetaTasser_TS1 costs 0 real_cost = -152.959 Ma-OPUS-server_TS5-scwrl costs 0 real_cost = -154.936 Ma-OPUS-server_TS5 costs 0 real_cost = -152.961 Ma-OPUS-server_TS4-scwrl costs 0 real_cost = -48.4714 Ma-OPUS-server_TS4 costs 0 real_cost = -51.6731 Ma-OPUS-server_TS3-scwrl costs 0 real_cost = -120.42 Ma-OPUS-server_TS3 costs 0 real_cost = -113.296 Ma-OPUS-server_TS2-scwrl costs 0 real_cost = -126.425 Ma-OPUS-server_TS2 costs 0 real_cost = -116.795 Ma-OPUS-server_TS1-scwrl costs 0 real_cost = -9.00705 Ma-OPUS-server_TS1 costs 0 real_cost = -4.99763 Ma-OPUS-server2_TS5-scwrl costs 0 real_cost = -152.931 Ma-OPUS-server2_TS5 costs 0 real_cost = -144.506 Ma-OPUS-server2_TS4-scwrl costs 0 real_cost = -120.42 Ma-OPUS-server2_TS4 costs 0 real_cost = -113.296 Ma-OPUS-server2_TS3-scwrl costs 0 real_cost = -51.7541 Ma-OPUS-server2_TS3 costs 0 real_cost = -50.6976 Ma-OPUS-server2_TS2-scwrl costs 0 real_cost = -126.425 Ma-OPUS-server2_TS2 costs 0 real_cost = -116.795 Ma-OPUS-server2_TS1-scwrl costs 0 real_cost = -25.9006 Ma-OPUS-server2_TS1 costs 0 real_cost = -22.5373 LOOPP_TS5-scwrl costs 0 real_cost = -46.0181 LOOPP_TS5 costs 0 real_cost = -35.5725 LOOPP_TS4-scwrl costs 0 real_cost = 23.175 LOOPP_TS4 costs 0 real_cost = 23.2441 LOOPP_TS3-scwrl costs 0 real_cost = -34.7939 LOOPP_TS3 costs 0 real_cost = -31.0235 LOOPP_TS2-scwrl costs 0 real_cost = -59.7687 LOOPP_TS2 costs 0 real_cost = -51.305 LOOPP_TS1-scwrl costs 0 real_cost = 41.8767 LOOPP_TS1 costs 0 real_cost = 46.6125 Huber-Torda-Server_TS5-scwrl costs 0 real_cost = -15.4958 Huber-Torda-Server_TS5 costs 0 real_cost = 89.0569 Huber-Torda-Server_TS4-scwrl costs 0 real_cost = 68.3671 Huber-Torda-Server_TS4 costs 0 real_cost = 149.846 Huber-Torda-Server_TS3-scwrl costs 0 real_cost = -87.6348 Huber-Torda-Server_TS3 costs 0 real_cost = 22.7496 Huber-Torda-Server_TS2-scwrl costs 0 real_cost = 15.123 Huber-Torda-Server_TS2 costs 0 real_cost = 101.243 Huber-Torda-Server_TS1-scwrl costs 0 real_cost = -129.78 Huber-Torda-Server_TS1 costs 0 real_cost = -23.7847 HHpred3_TS1-scwrl costs 0 real_cost = -71.9974 HHpred3_TS1 costs 0 real_cost = -67.7084 HHpred2_TS1-scwrl costs 0 real_cost = -83.4321 HHpred2_TS1 costs 0 real_cost = -86.8375 HHpred1_TS1-scwrl costs 0 real_cost = -143.151 HHpred1_TS1 costs 0 real_cost = -139.44 GeneSilicoMetaServer_TS5-scwrl costs 0 real_cost = -97.9334 GeneSilicoMetaServer_TS5 costs 0 real_cost = -91.4549 GeneSilicoMetaServer_TS4-scwrl costs 0 real_cost = -55.8234 GeneSilicoMetaServer_TS4 costs 0 real_cost = -54.5672 GeneSilicoMetaServer_TS3-scwrl costs 0 real_cost = -112.904 GeneSilicoMetaServer_TS3 costs 0 real_cost = -113.422 GeneSilicoMetaServer_TS2-scwrl costs 0 real_cost = -138.634 GeneSilicoMetaServer_TS2 costs 0 real_cost = -131.763 GeneSilicoMetaServer_TS1-scwrl costs 0 real_cost = -112.201 GeneSilicoMetaServer_TS1 costs 0 real_cost = -101.029 FUNCTION_TS5-scwrl costs 0 real_cost = -90.7528 FUNCTION_TS5 costs 0 real_cost = -91.1746 FUNCTION_TS4-scwrl costs 0 real_cost = -9.28266 FUNCTION_TS4 costs 0 real_cost = -2.00949 FUNCTION_TS3-scwrl costs 0 real_cost = -153.935 FUNCTION_TS3 costs 0 real_cost = -141.766 FUNCTION_TS2-scwrl costs 0 real_cost = -8.05505 FUNCTION_TS2 costs 0 real_cost = -3.43228 FUNCTION_TS1-scwrl costs 0 real_cost = -131.789 FUNCTION_TS1 costs 0 real_cost = -120.609 FUGUE_AL5-scwrl costs 0 real_cost = 97.3417 FUGUE_AL5 costs 0 real_cost = 233.055 FUGUE_AL4-scwrl costs 0 real_cost = 1.52501 FUGUE_AL4 costs 0 real_cost = 157.098 FUGUE_AL3-scwrl costs 0 real_cost = 169.668 FUGUE_AL3 costs 0 real_cost = 284.161 FUGUE_AL2-scwrl costs 0 real_cost = 41.2228 FUGUE_AL2 costs 0 real_cost = 165.145 FUGUE_AL1-scwrl costs 0 real_cost = -99.6476 FUGUE_AL1 costs 0 real_cost = 36.0702 FUGMOD_TS5-scwrl costs 0 real_cost = 96.4404 FUGMOD_TS5 costs 0 real_cost = 97.5813 FUGMOD_TS4-scwrl costs 0 real_cost = 6.75051 FUGMOD_TS4 costs 0 real_cost = 11.4751 FUGMOD_TS3-scwrl costs 0 real_cost = 136.594 FUGMOD_TS3 costs 0 real_cost = 137.183 FUGMOD_TS2-scwrl costs 0 real_cost = -3.73519 FUGMOD_TS2 costs 0 real_cost = -0.753196 FUGMOD_TS1-scwrl costs 0 real_cost = -157.896 FUGMOD_TS1 costs 0 real_cost = -150.542 FPSOLVER-SERVER_TS5-scwrl costs 0 real_cost = 282.886 FPSOLVER-SERVER_TS5 costs 0 real_cost = 286.272 FPSOLVER-SERVER_TS4-scwrl costs 0 real_cost = 300.36 FPSOLVER-SERVER_TS4 costs 0 real_cost = 304.847 FPSOLVER-SERVER_TS3-scwrl costs 0 real_cost = 299.816 FPSOLVER-SERVER_TS3 costs 0 real_cost = 303.949 FPSOLVER-SERVER_TS2-scwrl costs 0 real_cost = 269.536 FPSOLVER-SERVER_TS2 costs 0 real_cost = 271.599 FPSOLVER-SERVER_TS1-scwrl costs 0 real_cost = 302.477 FPSOLVER-SERVER_TS1 costs 0 real_cost = 307.913 FORTE2_AL5-scwrl costs 0 real_cost = -39.1131 FORTE2_AL5 costs 0 real_cost = 94.8798 FORTE2_AL4-scwrl costs 0 real_cost = -86.7409 FORTE2_AL4 costs 0 real_cost = 57.277 FORTE2_AL3-scwrl costs 0 real_cost = -22.7908 FORTE2_AL3 costs 0 real_cost = 123.814 FORTE2_AL2-scwrl costs 0 real_cost = 40.262 FORTE2_AL2 costs 0 real_cost = 40.262 FORTE2_AL1-scwrl costs 0 real_cost = 26.9381 FORTE2_AL1 costs 0 real_cost = 180.08 FORTE1_AL5-scwrl costs 0 real_cost = -86.7409 FORTE1_AL5 costs 0 real_cost = 57.277 FORTE1_AL4-scwrl costs 0 real_cost = 88.4402 FORTE1_AL4 costs 0 real_cost = 240.671 FORTE1_AL3-scwrl costs 0 real_cost = 41.0721 FORTE1_AL3 costs 0 real_cost = 41.0721 FORTE1_AL2-scwrl costs 0 real_cost = -23.0145 FORTE1_AL2 costs 0 real_cost = 123.935 FORTE1_AL1-scwrl costs 0 real_cost = 26.9381 FORTE1_AL1 costs 0 real_cost = 180.08 FOLDpro_TS5-scwrl costs 0 real_cost = 260.348 FOLDpro_TS5 costs 0 real_cost = 265.259 FOLDpro_TS4-scwrl costs 0 real_cost = 259.063 FOLDpro_TS4 costs 0 real_cost = 260.464 FOLDpro_TS3-scwrl costs 0 real_cost = 262.811 FOLDpro_TS3 costs 0 real_cost = 267.142 FOLDpro_TS2-scwrl costs 0 real_cost = 253.636 FOLDpro_TS2 costs 0 real_cost = 262.18 FOLDpro_TS1-scwrl costs 0 real_cost = -202.318 FOLDpro_TS1 costs 0 real_cost = -195.945 FAMS_TS5-scwrl costs 0 real_cost = -124.07 FAMS_TS5 costs 0 real_cost = -114.68 FAMS_TS4-scwrl costs 0 real_cost = -117.576 FAMS_TS4 costs 0 real_cost = -108.593 FAMS_TS3-scwrl costs 0 real_cost = -117.576 FAMS_TS3 costs 0 real_cost = -108.593 FAMS_TS2-scwrl costs 0 real_cost = -150.702 FAMS_TS2 costs 0 real_cost = -152.094 FAMS_TS1-scwrl costs 0 real_cost = -144.871 FAMS_TS1 costs 0 real_cost = -136.107 FAMSD_TS5-scwrl costs 0 real_cost = -124.07 FAMSD_TS5 costs 0 real_cost = -114.68 FAMSD_TS4-scwrl costs 0 real_cost = -145.672 FAMSD_TS4 costs 0 real_cost = -137.571 FAMSD_TS3-scwrl costs 0 real_cost = -144.64 FAMSD_TS3 costs 0 real_cost = -133.772 FAMSD_TS2-scwrl costs 0 real_cost = -146.153 FAMSD_TS2 costs 0 real_cost = -141.857 FAMSD_TS1-scwrl costs 0 real_cost = -117.576 FAMSD_TS1 costs 0 real_cost = -108.593 Distill_TS5-scwrl costs 0 real_cost = 435.836 Distill_TS4-scwrl costs 0 real_cost = 432.327 Distill_TS3-scwrl costs 0 real_cost = 433.772 Distill_TS2-scwrl costs 0 real_cost = 439.739 Distill_TS1-scwrl costs 0 real_cost = 421.025 CaspIta-FOX_TS5-scwrl costs 0 real_cost = -6.49498 CaspIta-FOX_TS5 costs 0 real_cost = -16.0311 CaspIta-FOX_TS4-scwrl costs 0 real_cost = -137.259 CaspIta-FOX_TS4 costs 0 real_cost = -137.116 CaspIta-FOX_TS3-scwrl costs 0 real_cost = 56.9158 CaspIta-FOX_TS3 costs 0 real_cost = 50.5882 CaspIta-FOX_TS2-scwrl costs 0 real_cost = -14.5929 CaspIta-FOX_TS2 costs 0 real_cost = -22.1641 CaspIta-FOX_TS1-scwrl costs 0 real_cost = 27.0745 CaspIta-FOX_TS1 costs 0 real_cost = 26.6796 CPHmodels_TS1-scwrl costs 0 real_cost = 77.2561 CPHmodels_TS1 costs 0 real_cost = 83.8117 CIRCLE_TS5-scwrl costs 0 real_cost = -29.3015 CIRCLE_TS5 costs 0 real_cost = -23.2132 CIRCLE_TS4-scwrl costs 0 real_cost = -117.576 CIRCLE_TS4 costs 0 real_cost = -108.593 CIRCLE_TS3-scwrl costs 0 real_cost = -124.07 CIRCLE_TS3 costs 0 real_cost = -114.68 CIRCLE_TS2-scwrl costs 0 real_cost = -150.702 CIRCLE_TS2 costs 0 real_cost = -152.094 CIRCLE_TS1-scwrl costs 0 real_cost = -158.588 CIRCLE_TS1 costs 0 real_cost = -154.158 Bilab-ENABLE_TS5-scwrl costs 0 real_cost = -25.575 Bilab-ENABLE_TS5 costs 0 real_cost = -25.576 Bilab-ENABLE_TS4-scwrl costs 0 real_cost = -29.7024 Bilab-ENABLE_TS4 costs 0 real_cost = -29.7039 Bilab-ENABLE_TS3-scwrl costs 0 real_cost = -148.164 Bilab-ENABLE_TS3 costs 0 real_cost = -148.164 Bilab-ENABLE_TS2-scwrl costs 0 real_cost = -147.954 Bilab-ENABLE_TS2 costs 0 real_cost = -147.954 Bilab-ENABLE_TS1-scwrl costs 0 real_cost = -153.657 Bilab-ENABLE_TS1 costs 0 real_cost = -154.225 BayesHH_TS1-scwrl costs 0 real_cost = -88.1832 BayesHH_TS1 costs 0 real_cost = -84.0083 ABIpro_TS5-scwrl costs 0 real_cost = 259.709 ABIpro_TS5 costs 0 real_cost = 259.702 ABIpro_TS4-scwrl costs 0 real_cost = 255.397 ABIpro_TS4 costs 0 real_cost = 255.909 ABIpro_TS3-scwrl costs 0 real_cost = 224.255 ABIpro_TS3 costs 0 real_cost = 223.614 ABIpro_TS2-scwrl costs 0 real_cost = 265.035 ABIpro_TS2 costs 0 real_cost = 265.039 ABIpro_TS1-scwrl costs 0 real_cost = 257.97 ABIpro_TS1 costs 0 real_cost = 257.757 3Dpro_TS5-scwrl costs 0 real_cost = 272.685 3Dpro_TS5 costs 0 real_cost = 277.137 3Dpro_TS4-scwrl costs 0 real_cost = 256.597 3Dpro_TS4 costs 0 real_cost = 255.868 3Dpro_TS3-scwrl costs 0 real_cost = 274.745 3Dpro_TS3 costs 0 real_cost = 275.692 3Dpro_TS2-scwrl costs 0 real_cost = 266.104 3Dpro_TS2 costs 0 real_cost = 269.226 3Dpro_TS1-scwrl costs 0 real_cost = -202.676 3Dpro_TS1 costs 0 real_cost = -202.04 3D-JIGSAW_TS5-scwrl costs 0 real_cost = -90.3948 3D-JIGSAW_TS5 costs 0 real_cost = -90.043 3D-JIGSAW_TS4-scwrl costs 0 real_cost = -92.9771 3D-JIGSAW_TS4 costs 0 real_cost = -91.8102 3D-JIGSAW_TS3-scwrl costs 0 real_cost = 31.8463 3D-JIGSAW_TS3 costs 0 real_cost = 26.369 3D-JIGSAW_TS2-scwrl costs 0 real_cost = -109.006 3D-JIGSAW_TS2 costs 0 real_cost = -108.674 3D-JIGSAW_TS1-scwrl costs 0 real_cost = 37.6945 3D-JIGSAW_TS1 costs 0 real_cost = 43.0939 3D-JIGSAW_RECOM_TS5-scwrl costs 0 real_cost = -81.8573 3D-JIGSAW_RECOM_TS5 costs 0 real_cost = -80.0561 3D-JIGSAW_RECOM_TS4-scwrl costs 0 real_cost = -99.1222 3D-JIGSAW_RECOM_TS4 costs 0 real_cost = -99.6113 3D-JIGSAW_RECOM_TS3-scwrl costs 0 real_cost = -92.2608 3D-JIGSAW_RECOM_TS3 costs 0 real_cost = -90.6023 3D-JIGSAW_RECOM_TS2-scwrl costs 0 real_cost = -98.8773 3D-JIGSAW_RECOM_TS2 costs 0 real_cost = -105.971 3D-JIGSAW_RECOM_TS1-scwrl costs 0 real_cost = -114.107 3D-JIGSAW_RECOM_TS1 costs 0 real_cost = -120.467 3D-JIGSAW_POPULUS_TS5-scwrl costs 0 real_cost = -85.8908 3D-JIGSAW_POPULUS_TS5 costs 0 real_cost = -85.8908 3D-JIGSAW_POPULUS_TS4-scwrl costs 0 real_cost = -94.6065 3D-JIGSAW_POPULUS_TS4 costs 0 real_cost = -94.6065 3D-JIGSAW_POPULUS_TS3-scwrl costs 0 real_cost = -41.4982 3D-JIGSAW_POPULUS_TS3 costs 0 real_cost = -41.4982 3D-JIGSAW_POPULUS_TS2-scwrl costs 0 real_cost = -84.8441 3D-JIGSAW_POPULUS_TS2 costs 0 real_cost = -86.2118 3D-JIGSAW_POPULUS_TS1-scwrl costs 0 real_cost = -90.45 3D-JIGSAW_POPULUS_TS1 costs 0 real_cost = -99.7968 T0324.try9-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -138.447 T0324.try9-opt2.pdb.gz costs 0 real_cost = -139.411 T0324.try9-opt2.gromacs0.pdb.gz costs 0 real_cost = -139.43 T0324.try9-opt1.pdb.gz costs 0 real_cost = -142.263 T0324.try9-opt1-scwrl.pdb.gz costs 0 real_cost = -141.861 T0324.try8-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -151.196 T0324.try8-opt2.pdb.gz costs 0 real_cost = -151.748 T0324.try8-opt2.gromacs0.pdb.gz costs 0 real_cost = -152.239 T0324.try8-opt1.pdb.gz costs 0 real_cost = -154.832 T0324.try8-opt1-scwrl.pdb.gz costs 0 real_cost = -159.445 T0324.try7-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -57.4275 T0324.try7-opt2.pdb.gz costs 0 real_cost = -54.9736 T0324.try7-opt2.gromacs0.pdb.gz costs 0 real_cost = -55.945 T0324.try7-opt1.pdb.gz costs 0 real_cost = -54.2733 T0324.try7-opt1-scwrl.pdb.gz costs 0 real_cost = -55.2608 T0324.try6-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -162.115 T0324.try6-opt2.pdb.gz costs 0 real_cost = -160.649 T0324.try6-opt2.gromacs0.pdb.gz costs 0 real_cost = -160.986 T0324.try6-opt1.pdb.gz costs 0 real_cost = -158.84 T0324.try6-opt1-scwrl.pdb.gz costs 0 real_cost = -161.355 T0324.try5-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -156.334 T0324.try5-opt2.pdb.gz costs 0 real_cost = -157.897 T0324.try5-opt2.gromacs0.pdb.gz costs 0 real_cost = -158.69 T0324.try5-opt1.pdb.gz costs 0 real_cost = -155.106 T0324.try5-opt1-scwrl.pdb.gz costs 0 real_cost = -157.508 T0324.try4-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -155.642 T0324.try4-opt2.pdb.gz costs 0 real_cost = -157.83 T0324.try4-opt2.gromacs0.pdb.gz costs 0 real_cost = -159.582 T0324.try4-opt1.pdb.gz costs 0 real_cost = -155.582 T0324.try4-opt1-scwrl.pdb.gz costs 0 real_cost = -156.826 T0324.try3-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -151.914 T0324.try3-opt2.pdb.gz costs 0 real_cost = -156.787 T0324.try3-opt2.gromacs0.pdb.gz costs 0 real_cost = -157.424 T0324.try3-opt1.pdb.gz costs 0 real_cost = -152.039 T0324.try3-opt1-scwrl.pdb.gz costs 0 real_cost = -154.336 T0324.try2-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -45.6175 T0324.try2-opt2.pdb.gz costs 0 real_cost = -42.5665 T0324.try2-opt2.gromacs0.pdb.gz costs 0 real_cost = -38.6234 T0324.try2-opt1.pdb.gz costs 0 real_cost = -39.1618 T0324.try2-opt1-scwrl.pdb.gz costs 0 real_cost = -39.2399 T0324.try13-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -163.587 T0324.try13-opt2.pdb.gz costs 0 real_cost = -163.688 T0324.try13-opt2.gromacs0.pdb.gz costs 0 real_cost = -159.217 T0324.try13-opt1.pdb.gz costs 0 real_cost = -160.987 T0324.try13-opt1-scwrl.pdb.gz costs 0 real_cost = -161.988 T0324.try12-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -166.728 T0324.try12-opt2.pdb.gz costs 0 real_cost = -166.529 T0324.try12-opt2.gromacs0.pdb.gz costs 0 real_cost = -162.285 T0324.try12-opt1.pdb.gz costs 0 real_cost = -164.053 T0324.try12-opt1-scwrl.pdb.gz costs 0 real_cost = -164.093 T0324.try11-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -161.647 T0324.try11-opt2.pdb.gz costs 0 real_cost = -160.141 T0324.try11-opt2.gromacs0.pdb.gz costs 0 real_cost = -157.805 T0324.try11-opt1.pdb.gz costs 0 real_cost = -159.627 T0324.try11-opt1-scwrl.pdb.gz costs 0 real_cost = -160.598 T0324.try10-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -157.54 T0324.try10-opt2.pdb.gz costs 0 real_cost = -161.319 T0324.try10-opt2.gromacs0.pdb.gz costs 0 real_cost = -158.125 T0324.try10-opt1.pdb.gz costs 0 real_cost = -160.224 T0324.try10-opt1-scwrl.pdb.gz costs 0 real_cost = -160.644 T0324.try1-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -46.2841 T0324.try1-opt2.pdb.gz costs 0 real_cost = -43.2624 T0324.try1-opt2.gromacs0.pdb.gz costs 0 real_cost = -44.5019 T0324.try1-opt1.pdb.gz costs 0 real_cost = -43.6552 T0324.try1-opt1-scwrl.pdb.gz costs 0 real_cost = -45.009 ../model5.ts-submitted costs 0 real_cost = -89.1706 ../model4.ts-submitted costs 0 real_cost = -43.5134 ../model3.ts-submitted costs 0 real_cost = -157.848 ../model2.ts-submitted costs 0 real_cost = -160.807 ../model1.ts-submitted costs 0 real_cost = -163.671 align5 costs 0 real_cost = -61.8648 align4 costs 0 real_cost = -9.98828 align3 costs 0 real_cost = -39.4342 align2 costs 0 real_cost = -80.146 align1 costs 0 real_cost = -86.556 T0324.try1-opt2.pdb costs 0 real_cost = -43.2633 model5-scwrl costs 0 real_cost = -30.7654 model5.ts-submitted costs 0 real_cost = -89.1706 model4-scwrl costs 0 real_cost = -46.6789 model4.ts-submitted costs 0 real_cost = -43.5134 model3-scwrl costs 0 real_cost = -160.895 model3.ts-submitted costs 0 real_cost = -157.848 model2-scwrl costs 0 real_cost = -167.316 model2.ts-submitted costs 0 real_cost = -160.807 model1-scwrl costs 0 real_cost = -163.845 model1.ts-submitted costs 0 real_cost = -163.679 2hdoA costs 0 real_cost = -881.4 # command:CPU_time= 1000.79 sec, elapsed time= 1410.91 sec) # command:rm -f sort.tmp /projects/compbio/bin/sorttbl real_cost < decoys/evaluate.rdb > sort.tmp mv -f sort.tmp decoys/evaluate.rdb mv -f decoys/evaluate.pretty decoys/evaluate.pretty.old /projects/compbio/experiments/protein-predict/casp7/scripts/prettyscore -terse -targpfx -decpoint < decoys/evaluate.rdb > decoys/evaluate.pretty rm -f decoys/evaluate_1.rdb sed -e s/XXX0000/T0324/ -e s/START_COL/1/ \ -e s/REAL_PDB/2hdoA/ \ -e s/_domain/_1/ \ -e s/read-pdb/read-pdb+servers/ \ -e 's/ReadConformPDBids/# ReadConformPDBids/' \ -e 's/# ReadConformPDB /ReadConformPDB /' \ -e 's/include COSTFCN.costfcn//' \ -e s/.COSTFCN// \ < /projects/compbio/experiments/protein-predict/casp7/starter-directory/evaluate.under \ | nice -2 /projects/compbio/programs/undertaker/undertaker # command:# Seed set to 1174873476 # 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= 4.84026 sec, elapsed time= 5.00655 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= 4.90325 sec, elapsed time= 5.13421 sec) # command:# Prefix for input files set to # command:# Making conformation for sequence T0324 numbered 1 through 208 Created new target T0324 from T0324.a2m # command:# command:# No conformations to remove in PopConform # command:# cleared Id set # command:# command:# ReadConformPDB reading from PDB file T0324_1.real.pdb looking for model 1 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 805, because occupancy 5.0000000e-01 <= existing 0.500 in T0324_1.real.pdb Skipped atom 809, because occupancy 0.500 <= existing 0.500 in T0324_1.real.pdb Skipped atom 811, because occupancy 0.500 <= existing 0.500 in T0324_1.real.pdb Skipped atom 875, because occupancy 0.500 <= existing 0.500 in T0324_1.real.pdb Skipped atom 877, because occupancy 0.500 <= existing 0.500 in T0324_1.real.pdb Skipped atom 879, because occupancy 0.500 <= existing 0.500 in T0324_1.real.pdb Skipped atom 881, because occupancy 0.500 <= existing 0.500 in T0324_1.real.pdb Skipped atom 883, because occupancy 0.500 <= existing 0.500 in T0324_1.real.pdb Skipped atom 885, because occupancy 0.500 <= existing 0.500 in T0324_1.real.pdb 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 954, because occupancy 0.500 <= existing 0.500 in T0324_1.real.pdb Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 956, because occupancy 0.500 <= existing 0.500 in T0324_1.real.pdb Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 958, because occupancy 0.500 <= existing 0.500 in T0324_1.real.pdb Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 960, because occupancy 0.500 <= existing 0.500 in T0324_1.real.pdb Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 962, because occupancy 0.500 <= existing 0.500 in T0324_1.real.pdb Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 964, because occupancy 0.500 <= existing 0.500 in T0324_1.real.pdb Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 966, because occupancy 0.350 <= existing 0.400 in T0324_1.real.pdb Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 968, because occupancy 0.500 <= existing 0.500 in T0324_1.real.pdb 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 1174, because occupancy 0.300 <= existing 0.700 in T0324_1.real.pdb Skipped atom 1178, because occupancy 0.300 <= existing 0.700 in T0324_1.real.pdb Skipped atom 1180, because occupancy 0.300 <= existing 0.700 in T0324_1.real.pdb Skipped atom 1182, because occupancy 0.300 <= existing 0.700 in T0324_1.real.pdb Skipped atom 1184, because occupancy 0.300 <= existing 0.700 in T0324_1.real.pdb Skipped atom 1280, because occupancy 0.300 <= existing 0.700 in T0324_1.real.pdb Skipped atom 1284, because occupancy 0.300 <= existing 0.700 in T0324_1.real.pdb Skipped atom 1286, because occupancy 0.300 <= existing 0.700 in T0324_1.real.pdb 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 1506, because occupancy 0.500 <= existing 0.500 in T0324_1.real.pdb Skipped atom 1510, because occupancy 0.500 <= existing 0.500 in T0324_1.real.pdb Skipped atom 1512, because occupancy 0.500 <= existing 0.500 in T0324_1.real.pdb Skipped atom 1514, because occupancy 0.500 <= existing 0.500 in T0324_1.real.pdb Skipped atom 1516, because occupancy 0.500 <= existing 0.500 in T0324_1.real.pdb Skipped atom 1518, because occupancy 0.500 <= existing 0.500 in T0324_1.real.pdb Skipped atom 1520, because occupancy 0.500 <= existing 0.500 in T0324_1.real.pdb Skipped atom 1522, because occupancy 0.500 <= existing 0.500 in T0324_1.real.pdb # WARNING: incomplete conformation T0324 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= 6.77097 sec, elapsed time= 7.0183 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 191 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -82.7465 # GDT_score(maxd=8,maxw=2.9)= -85.8836 # GDT_score(maxd=8,maxw=3.2)= -82.9271 # GDT_score(maxd=8,maxw=3.5)= -79.7411 # GDT_score(maxd=10,maxw=3.8)= -81.6724 # GDT_score(maxd=10,maxw=4)= -79.6014 # GDT_score(maxd=10,maxw=4.2)= -77.4862 # GDT_score(maxd=12,maxw=4.3)= -80.4825 # GDT_score(maxd=12,maxw=4.5)= -78.4384 # GDT_score(maxd=12,maxw=4.7)= -76.4183 # GDT_score(maxd=14,maxw=5.2)= -74.75 # GDT_score(maxd=14,maxw=5.5)= -71.8438 # command:# Prefix for output files set to # command:superimposing iter= 0 total_weight= 1648.000 rmsd (weighted)= 2.574 (unweighted)= 37.533 superimposing iter= 1 total_weight= 5036.842 rmsd (weighted)= 1.089 (unweighted)= 37.459 superimposing iter= 2 total_weight= 2143.097 rmsd (weighted)= 0.750 (unweighted)= 37.447 superimposing iter= 3 total_weight= 1466.353 rmsd (weighted)= 0.634 (unweighted)= 37.451 superimposing iter= 4 total_weight= 1243.382 rmsd (weighted)= 0.586 (unweighted)= 37.456 superimposing iter= 5 total_weight= 1146.491 rmsd (weighted)= 0.565 (unweighted)= 37.459 # command:# Prefix for output files set to decoys/ # command:# request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1480906361.pdb -s /var/tmp/to_scwrl_1480906361.seq -o /var/tmp/from_scwrl_1480906361.pdb > /var/tmp/scwrl_1480906361.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1480906361.pdb # conformation set from SCWRL output # command:# naming current conformation model1-scwrl # command:# ReadConformPDB reading from PDB file model2.ts-submitted looking for model 1 # Found a chain break before 190 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -81.162 # GDT_score(maxd=8,maxw=2.9)= -84.2088 # GDT_score(maxd=8,maxw=3.2)= -81.0218 # GDT_score(maxd=8,maxw=3.5)= -77.7266 # GDT_score(maxd=10,maxw=3.8)= -79.84 # GDT_score(maxd=10,maxw=4)= -77.6196 # GDT_score(maxd=10,maxw=4.2)= -75.3592 # GDT_score(maxd=12,maxw=4.3)= -78.6017 # GDT_score(maxd=12,maxw=4.5)= -76.4013 # GDT_score(maxd=12,maxw=4.7)= -74.1754 # GDT_score(maxd=14,maxw=5.2)= -72.3824 # GDT_score(maxd=14,maxw=5.5)= -69.2525 # command:# request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_357314973.pdb -s /var/tmp/to_scwrl_357314973.seq -o /var/tmp/from_scwrl_357314973.pdb > /var/tmp/scwrl_357314973.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_357314973.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 198 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -81.338 # GDT_score(maxd=8,maxw=2.9)= -85.0566 # GDT_score(maxd=8,maxw=3.2)= -81.8032 # GDT_score(maxd=8,maxw=3.5)= -78.5398 # GDT_score(maxd=10,maxw=3.8)= -80.5794 # GDT_score(maxd=10,maxw=4)= -78.469 # GDT_score(maxd=10,maxw=4.2)= -76.3301 # GDT_score(maxd=12,maxw=4.3)= -79.4118 # GDT_score(maxd=12,maxw=4.5)= -77.3395 # GDT_score(maxd=12,maxw=4.7)= -75.2101 # GDT_score(maxd=14,maxw=5.2)= -73.4502 # GDT_score(maxd=14,maxw=5.5)= -70.3123 # command:# request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_556405264.pdb -s /var/tmp/to_scwrl_556405264.seq -o /var/tmp/from_scwrl_556405264.pdb > /var/tmp/scwrl_556405264.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_556405264.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 198 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -81.6901 # GDT_score(maxd=8,maxw=2.9)= -86.0972 # GDT_score(maxd=8,maxw=3.2)= -82.4729 # GDT_score(maxd=8,maxw=3.5)= -78.8429 # GDT_score(maxd=10,maxw=3.8)= -80.8756 # GDT_score(maxd=10,maxw=4)= -78.578 # GDT_score(maxd=10,maxw=4.2)= -76.2252 # GDT_score(maxd=12,maxw=4.3)= -79.4854 # GDT_score(maxd=12,maxw=4.5)= -77.2095 # GDT_score(maxd=12,maxw=4.7)= -74.9533 # GDT_score(maxd=14,maxw=5.2)= -73.0495 # GDT_score(maxd=14,maxw=5.5)= -69.7907 # command:# request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1957354765.pdb -s /var/tmp/to_scwrl_1957354765.seq -o /var/tmp/from_scwrl_1957354765.pdb > /var/tmp/scwrl_1957354765.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1957354765.pdb # conformation set from SCWRL output # command:# naming current conformation model4-scwrl # command:# ReadConformPDB reading from PDB file model5.ts-submitted looking for model 1 # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # command:# fraction of real conformation used = 0.873239 # GDT_score = -71.3028 # GDT_score(maxd=8,maxw=2.9)= -74.7899 # GDT_score(maxd=8,maxw=3.2)= -71.8595 # GDT_score(maxd=8,maxw=3.5)= -68.7047 # GDT_score(maxd=10,maxw=3.8)= -70.4981 # GDT_score(maxd=10,maxw=4)= -68.4359 # GDT_score(maxd=10,maxw=4.2)= -66.3982 # GDT_score(maxd=12,maxw=4.3)= -69.2331 # GDT_score(maxd=12,maxw=4.5)= -67.2675 # GDT_score(maxd=12,maxw=4.7)= -65.2977 # GDT_score(maxd=14,maxw=5.2)= -63.6285 # GDT_score(maxd=14,maxw=5.5)= -60.8704 # command:# request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1994405669.pdb -s /var/tmp/to_scwrl_1994405669.seq -o /var/tmp/from_scwrl_1994405669.pdb > /var/tmp/scwrl_1994405669.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1994405669.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 T0324.try1-opt2.pdb looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -81.6901 # GDT_score(maxd=8,maxw=2.9)= -85.96 # GDT_score(maxd=8,maxw=3.2)= -82.3961 # GDT_score(maxd=8,maxw=3.5)= -78.7912 # GDT_score(maxd=10,maxw=3.8)= -80.8272 # GDT_score(maxd=10,maxw=4)= -78.5305 # GDT_score(maxd=10,maxw=4.2)= -76.1785 # GDT_score(maxd=12,maxw=4.3)= -79.4404 # GDT_score(maxd=12,maxw=4.5)= -77.1669 # GDT_score(maxd=12,maxw=4.7)= -74.9102 # GDT_score(maxd=14,maxw=5.2)= -73.01 # GDT_score(maxd=14,maxw=5.5)= -69.7699 # command:# Prefix for output files set to # command:superimposing iter= 0 total_weight= 1648.000 rmsd (weighted)= 2.434 (unweighted)= 38.745 superimposing iter= 1 total_weight= 4620.561 rmsd (weighted)= 1.089 (unweighted)= 38.816 superimposing iter= 2 total_weight= 1859.166 rmsd (weighted)= 0.821 (unweighted)= 38.820 superimposing iter= 3 total_weight= 1215.539 rmsd (weighted)= 0.771 (unweighted)= 38.826 superimposing iter= 4 total_weight= 1111.103 rmsd (weighted)= 0.759 (unweighted)= 38.833 superimposing iter= 5 total_weight= 1093.853 rmsd (weighted)= 0.752 (unweighted)= 38.840 # command:# Prefix for output files set to decoys/ # command:# Prefix for input files set to # command:# ReadConformPDB reading from PDB file T0324.undertaker-align.pdb looking for model 1 WARNING: atoms too close: (T0324)E55.C and (T0324)L56.C only 0.000 apart, marking (T0324)L56.C as missing WARNING: atoms too close: (T0324)L56.N and (T0324)G57.N only 0.000 apart, marking (T0324)L56.N as missing WARNING: atoms too close: (T0324)L56.CA and (T0324)G57.CA only 0.000 apart, marking (T0324)L56.CA as missing WARNING: atoms too close: (T0324)K137.C and (T0324)D139.C only 0.000 apart, marking (T0324)D139.C as missing WARNING: atoms too close: (T0324)P138.N and (T0324)P140.N only 0.000 apart, marking (T0324)P138.N as missing WARNING: atoms too close: (T0324)P138.CA and (T0324)P140.CA only 0.000 apart, marking (T0324)P138.CA as missing # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # command:# naming current conformation align1 # command:# fraction of real conformation used = 0.873239 # GDT_score = -71.3028 # GDT_score(maxd=8,maxw=2.9)= -74.7909 # GDT_score(maxd=8,maxw=3.2)= -71.8588 # GDT_score(maxd=8,maxw=3.5)= -68.7038 # GDT_score(maxd=10,maxw=3.8)= -70.497 # GDT_score(maxd=10,maxw=4)= -68.435 # GDT_score(maxd=10,maxw=4.2)= -66.3988 # GDT_score(maxd=12,maxw=4.3)= -69.2335 # GDT_score(maxd=12,maxw=4.5)= -67.268 # GDT_score(maxd=12,maxw=4.7)= -65.2985 # GDT_score(maxd=14,maxw=5.2)= -63.6289 # GDT_score(maxd=14,maxw=5.5)= -60.8713 # command:# ReadConformPDB reading from PDB file T0324.undertaker-align.pdb looking for model 2 WARNING: atoms too close: (T0324)P95.C and (T0324)E97.C only 0.000 apart, marking (T0324)E97.C as missing WARNING: atoms too close: (T0324)S96.N and (T0324)L98.N only 0.000 apart, marking (T0324)S96.N as missing WARNING: atoms too close: (T0324)S96.CA and (T0324)L98.CA only 0.000 apart, marking (T0324)S96.CA as missing # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # command:# naming current conformation align2 # command:# fraction of real conformation used = 0.93662 # GDT_score = -76.5845 # GDT_score(maxd=8,maxw=2.9)= -79.3544 # GDT_score(maxd=8,maxw=3.2)= -76.851 # GDT_score(maxd=8,maxw=3.5)= -73.9675 # GDT_score(maxd=10,maxw=3.8)= -75.8199 # GDT_score(maxd=10,maxw=4)= -73.9218 # GDT_score(maxd=10,maxw=4.2)= -72.0308 # GDT_score(maxd=12,maxw=4.3)= -74.8025 # GDT_score(maxd=12,maxw=4.5)= -72.9655 # GDT_score(maxd=12,maxw=4.7)= -71.1208 # GDT_score(maxd=14,maxw=5.2)= -69.5478 # GDT_score(maxd=14,maxw=5.5)= -66.6032 # command:# ReadConformPDB reading from PDB file T0324.undertaker-align.pdb looking for model 3 WARNING: atoms too close: (T0324)P35.C and (T0324)S37.C only 0.000 apart, marking (T0324)S37.C as missing WARNING: atoms too close: (T0324)F36.N and (T0324)P38.N only 0.000 apart, marking (T0324)F36.N as missing WARNING: atoms too close: (T0324)F36.CA and (T0324)P38.CA only 0.000 apart, marking (T0324)F36.CA as missing WARNING: atoms too close: (T0324)E62.C and (T0324)H65.C only 0.000 apart, marking (T0324)H65.C as missing WARNING: atoms too close: (T0324)F63.N and (T0324)F66.N only 0.000 apart, marking (T0324)F63.N as missing WARNING: atoms too close: (T0324)F63.CA and (T0324)F66.CA only 0.000 apart, marking (T0324)F63.CA as missing # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # command:# naming current conformation align3 # command:# ReadConformPDB reading from PDB file T0324.undertaker-align.pdb looking for model 4 WARNING: atoms too close: (T0324)S76.C and (T0324)D79.C only 0.000 apart, marking (T0324)D79.C as missing WARNING: atoms too close: (T0324)H77.N and (T0324)Q80.N only 0.000 apart, marking (T0324)H77.N as missing WARNING: atoms too close: (T0324)H77.CA and (T0324)Q80.CA only 0.000 apart, marking (T0324)H77.CA as missing # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # command:# naming current conformation align4 # command:# ReadConformPDB reading from PDB file T0324.undertaker-align.pdb looking for model 5 WARNING: atoms too close: (T0324)M1.C and (T0324)T2.C only 0.000 apart, marking (T0324)T2.C as missing WARNING: atoms too close: (T0324)T2.N and (T0324)Y3.N only 0.000 apart, marking (T0324)T2.N as missing WARNING: atoms too close: (T0324)T2.CA and (T0324)Y3.CA only 0.000 apart, marking (T0324)T2.CA as missing WARNING: atoms too close: (T0324)T15.C and (T0324)N16.C only 0.000 apart, marking (T0324)N16.C as missing WARNING: atoms too close: (T0324)N16.N and (T0324)S17.N only 0.000 apart, marking (T0324)N16.N as missing WARNING: atoms too close: (T0324)N16.CA and (T0324)S17.CA only 0.000 apart, marking (T0324)N16.CA as missing WARNING: atoms too close: (T0324)A59.C and (T0324)S61.C only 0.000 apart, marking (T0324)S61.C as missing WARNING: atoms too close: (T0324)A60.N and (T0324)E62.N only 0.000 apart, marking (T0324)A60.N as missing WARNING: atoms too close: (T0324)A60.CA and (T0324)E62.CA only 0.000 apart, marking (T0324)A60.CA as missing WARNING: atoms too close: (T0324)S76.C and (T0324)D79.C only 0.000 apart, marking (T0324)D79.C as missing WARNING: atoms too close: (T0324)H77.N and (T0324)Q80.N only 0.000 apart, marking (T0324)H77.N as missing WARNING: atoms too close: (T0324)H77.CA and (T0324)Q80.CA only 0.000 apart, marking (T0324)H77.CA as missing # WARNING: incomplete conformation T0324 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 191 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model2.ts-submitted looking for model 1 # Found a chain break before 190 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model3.ts-submitted looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model4.ts-submitted looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model5.ts-submitted looking for model 1 # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # ReadConformPDB reading from PDB file T0324.try1-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try1-opt1.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try1-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 173 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try1-opt2.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try1-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try10-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try10-opt1.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try10-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 191 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try10-opt2.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try10-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try11-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try11-opt1.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try11-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 191 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try11-opt2.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try11-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try12-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try12-opt1.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try12-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 204 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try12-opt2.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try12-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try13-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 191 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try13-opt1.pdb.gz looking for model 1 # Found a chain break before 191 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try13-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 203 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try13-opt2.pdb.gz looking for model 1 # Found a chain break before 191 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try13-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 191 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try2-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try2-opt1.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try2-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 173 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try2-opt2.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try2-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try3-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 206 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try3-opt1.pdb.gz looking for model 1 # Found a chain break before 206 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try3-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 191 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try3-opt2.pdb.gz looking for model 1 # Found a chain break before 206 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try3-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 206 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try4-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try4-opt1.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try4-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 193 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try4-opt2.pdb.gz looking for model 1 # Found a chain break before 193 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try4-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 T0324.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 T0324.try5-opt1.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try5-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 191 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try5-opt2.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try5-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try6-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 190 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try6-opt1.pdb.gz looking for model 1 # Found a chain break before 190 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try6-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 191 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try6-opt2.pdb.gz looking for model 1 # Found a chain break before 190 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try6-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 190 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try7-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try7-opt1.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try7-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try7-opt2.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try7-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try8-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 190 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try8-opt1.pdb.gz looking for model 1 # Found a chain break before 190 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try8-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 207 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try8-opt2.pdb.gz looking for model 1 # Found a chain break before 200 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try8-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 200 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try9-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 202 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try9-opt1.pdb.gz looking for model 1 # Found a chain break before 202 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try9-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 203 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try9-opt2.pdb.gz looking for model 1 # Found a chain break before 203 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try9-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 203 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1897826171.pdb -s /var/tmp/to_scwrl_1897826171.seq -o /var/tmp/from_scwrl_1897826171.pdb > /var/tmp/scwrl_1897826171.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1897826171.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 T0324 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_109159266.pdb -s /var/tmp/to_scwrl_109159266.seq -o /var/tmp/from_scwrl_109159266.pdb > /var/tmp/scwrl_109159266.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_109159266.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_POPULUS_TS2-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS3.pdb.gz looking for model 1 # Found a chain break before 200 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_933394881.pdb -s /var/tmp/to_scwrl_933394881.seq -o /var/tmp/from_scwrl_933394881.pdb > /var/tmp/scwrl_933394881.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_933394881.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 # Found a chain break before 204 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_949843373.pdb -s /var/tmp/to_scwrl_949843373.seq -o /var/tmp/from_scwrl_949843373.pdb > /var/tmp/scwrl_949843373.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_949843373.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 # Found a chain break before 193 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1235300599.pdb -s /var/tmp/to_scwrl_1235300599.seq -o /var/tmp/from_scwrl_1235300599.pdb > /var/tmp/scwrl_1235300599.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1235300599.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 T0324 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1703235366.pdb -s /var/tmp/to_scwrl_1703235366.seq -o /var/tmp/from_scwrl_1703235366.pdb > /var/tmp/scwrl_1703235366.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1703235366.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 T0324 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1166037813.pdb -s /var/tmp/to_scwrl_1166037813.seq -o /var/tmp/from_scwrl_1166037813.pdb > /var/tmp/scwrl_1166037813.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1166037813.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 # Found a chain break before 205 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_RECOM_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_158676487.pdb -s /var/tmp/to_scwrl_158676487.seq -o /var/tmp/from_scwrl_158676487.pdb > /var/tmp/scwrl_158676487.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_158676487.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 T0324 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_2136632612.pdb -s /var/tmp/to_scwrl_2136632612.seq -o /var/tmp/from_scwrl_2136632612.pdb > /var/tmp/scwrl_2136632612.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2136632612.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 T0324 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1157297501.pdb -s /var/tmp/to_scwrl_1157297501.seq -o /var/tmp/from_scwrl_1157297501.pdb > /var/tmp/scwrl_1157297501.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1157297501.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 T0324 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1507343969.pdb -s /var/tmp/to_scwrl_1507343969.seq -o /var/tmp/from_scwrl_1507343969.pdb > /var/tmp/scwrl_1507343969.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1507343969.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 T0324 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_861634730.pdb -s /var/tmp/to_scwrl_861634730.seq -o /var/tmp/from_scwrl_861634730.pdb > /var/tmp/scwrl_861634730.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_861634730.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 T0324 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1432454525.pdb -s /var/tmp/to_scwrl_1432454525.seq -o /var/tmp/from_scwrl_1432454525.pdb > /var/tmp/scwrl_1432454525.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1432454525.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 # Found a chain break before 205 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1869559177.pdb -s /var/tmp/to_scwrl_1869559177.seq -o /var/tmp/from_scwrl_1869559177.pdb > /var/tmp/scwrl_1869559177.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1869559177.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 T0324 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_711355528.pdb -s /var/tmp/to_scwrl_711355528.seq -o /var/tmp/from_scwrl_711355528.pdb > /var/tmp/scwrl_711355528.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_711355528.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 152 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1097863808.pdb -s /var/tmp/to_scwrl_1097863808.seq -o /var/tmp/from_scwrl_1097863808.pdb > /var/tmp/scwrl_1097863808.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1097863808.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 193 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_102221845.pdb -s /var/tmp/to_scwrl_102221845.seq -o /var/tmp/from_scwrl_102221845.pdb > /var/tmp/scwrl_102221845.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_102221845.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 140 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_866907119.pdb -s /var/tmp/to_scwrl_866907119.seq -o /var/tmp/from_scwrl_866907119.pdb > /var/tmp/scwrl_866907119.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_866907119.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 198 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1148168686.pdb -s /var/tmp/to_scwrl_1148168686.seq -o /var/tmp/from_scwrl_1148168686.pdb > /var/tmp/scwrl_1148168686.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1148168686.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 ; scwrl3 -i /var/tmp/to_scwrl_518715980.pdb -s /var/tmp/to_scwrl_518715980.seq -o /var/tmp/from_scwrl_518715980.pdb > /var/tmp/scwrl_518715980.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_518715980.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 203 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_793642206.pdb -s /var/tmp/to_scwrl_793642206.seq -o /var/tmp/from_scwrl_793642206.pdb > /var/tmp/scwrl_793642206.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_793642206.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 206 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1516905285.pdb -s /var/tmp/to_scwrl_1516905285.seq -o /var/tmp/from_scwrl_1516905285.pdb > /var/tmp/scwrl_1516905285.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1516905285.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 197 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_82382364.pdb -s /var/tmp/to_scwrl_82382364.seq -o /var/tmp/from_scwrl_82382364.pdb > /var/tmp/scwrl_82382364.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_82382364.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 183 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_981751392.pdb -s /var/tmp/to_scwrl_981751392.seq -o /var/tmp/from_scwrl_981751392.pdb > /var/tmp/scwrl_981751392.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_981751392.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 195 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1060327003.pdb -s /var/tmp/to_scwrl_1060327003.seq -o /var/tmp/from_scwrl_1060327003.pdb > /var/tmp/scwrl_1060327003.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1060327003.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 183 # copying to AlignedFragments data structure # naming current conformation BayesHH_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1414898784.pdb -s /var/tmp/to_scwrl_1414898784.seq -o /var/tmp/from_scwrl_1414898784.pdb > /var/tmp/scwrl_1414898784.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1414898784.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 184 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_315174106.pdb -s /var/tmp/to_scwrl_315174106.seq -o /var/tmp/from_scwrl_315174106.pdb > /var/tmp/scwrl_315174106.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_315174106.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 184 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1417641975.pdb -s /var/tmp/to_scwrl_1417641975.seq -o /var/tmp/from_scwrl_1417641975.pdb > /var/tmp/scwrl_1417641975.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1417641975.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 196 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1971304048.pdb -s /var/tmp/to_scwrl_1971304048.seq -o /var/tmp/from_scwrl_1971304048.pdb > /var/tmp/scwrl_1971304048.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1971304048.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 207 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_125045224.pdb -s /var/tmp/to_scwrl_125045224.seq -o /var/tmp/from_scwrl_125045224.pdb > /var/tmp/scwrl_125045224.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_125045224.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 207 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1264563997.pdb -s /var/tmp/to_scwrl_1264563997.seq -o /var/tmp/from_scwrl_1264563997.pdb > /var/tmp/scwrl_1264563997.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1264563997.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 203 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1721646572.pdb -s /var/tmp/to_scwrl_1721646572.seq -o /var/tmp/from_scwrl_1721646572.pdb > /var/tmp/scwrl_1721646572.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1721646572.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 201 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_234204490.pdb -s /var/tmp/to_scwrl_234204490.seq -o /var/tmp/from_scwrl_234204490.pdb > /var/tmp/scwrl_234204490.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_234204490.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 201 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_50475231.pdb -s /var/tmp/to_scwrl_50475231.seq -o /var/tmp/from_scwrl_50475231.pdb > /var/tmp/scwrl_50475231.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_50475231.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS3-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS4.pdb.gz looking for model 1 # Found a chain break before 205 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_524006298.pdb -s /var/tmp/to_scwrl_524006298.seq -o /var/tmp/from_scwrl_524006298.pdb > /var/tmp/scwrl_524006298.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_524006298.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 200 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1469505089.pdb -s /var/tmp/to_scwrl_1469505089.seq -o /var/tmp/from_scwrl_1469505089.pdb > /var/tmp/scwrl_1469505089.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1469505089.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 T0324 can't currently be optimized by undertaker # naming current conformation CPHmodels_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1753710597.pdb -s /var/tmp/to_scwrl_1753710597.seq -o /var/tmp/from_scwrl_1753710597.pdb > /var/tmp/scwrl_1753710597.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1753710597.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 T0324 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1690044111.pdb -s /var/tmp/to_scwrl_1690044111.seq -o /var/tmp/from_scwrl_1690044111.pdb > /var/tmp/scwrl_1690044111.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1690044111.pdb # conformation set from SCWRL output # naming current conformation CaspIta-FOX_TS1-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1628181576.pdb -s /var/tmp/to_scwrl_1628181576.seq -o /var/tmp/from_scwrl_1628181576.pdb > /var/tmp/scwrl_1628181576.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1628181576.pdb # conformation set from SCWRL output # naming current conformation CaspIta-FOX_TS2-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1742859562.pdb -s /var/tmp/to_scwrl_1742859562.seq -o /var/tmp/from_scwrl_1742859562.pdb > /var/tmp/scwrl_1742859562.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1742859562.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 196 # copying to AlignedFragments data structure # naming current conformation CaspIta-FOX_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_699857966.pdb -s /var/tmp/to_scwrl_699857966.seq -o /var/tmp/from_scwrl_699857966.pdb > /var/tmp/scwrl_699857966.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_699857966.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 T0324 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_988041899.pdb -s /var/tmp/to_scwrl_988041899.seq -o /var/tmp/from_scwrl_988041899.pdb > /var/tmp/scwrl_988041899.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_988041899.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 T0324 can't currently be optimized by undertaker # naming current conformation Distill_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_457010645.pdb -s /var/tmp/to_scwrl_457010645.seq -o /var/tmp/from_scwrl_457010645.pdb > /var/tmp/scwrl_457010645.log Error: Couldn't open file /var/tmp/from_scwrl_457010645.pdb or /var/tmp/from_scwrl_457010645.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_457010645_b.pdb or decoys//var/tmp/from_scwrl_457010645_b.pdb.gz for input Trying /var/tmp/from_scwrl_457010645_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_457010645_b.pdb or /var/tmp/from_scwrl_457010645_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_457010645_a.pdb or decoys//var/tmp/from_scwrl_457010645_a.pdb.gz for input Trying /var/tmp/from_scwrl_457010645_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_457010645_a.pdb or /var/tmp/from_scwrl_457010645_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_457010645.pdb or /var/tmp/from_scwrl_457010645_b.pdb or /var/tmp/from_scwrl_457010645_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 T0324 can't currently be optimized by undertaker # naming current conformation Distill_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_2132312491.pdb -s /var/tmp/to_scwrl_2132312491.seq -o /var/tmp/from_scwrl_2132312491.pdb > /var/tmp/scwrl_2132312491.log Error: Couldn't open file /var/tmp/from_scwrl_2132312491.pdb or /var/tmp/from_scwrl_2132312491.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2132312491_b.pdb or decoys//var/tmp/from_scwrl_2132312491_b.pdb.gz for input Trying /var/tmp/from_scwrl_2132312491_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2132312491_b.pdb or /var/tmp/from_scwrl_2132312491_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2132312491_a.pdb or decoys//var/tmp/from_scwrl_2132312491_a.pdb.gz for input Trying /var/tmp/from_scwrl_2132312491_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2132312491_a.pdb or /var/tmp/from_scwrl_2132312491_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2132312491.pdb or /var/tmp/from_scwrl_2132312491_b.pdb or /var/tmp/from_scwrl_2132312491_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 T0324 can't currently be optimized by undertaker # naming current conformation Distill_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_710117429.pdb -s /var/tmp/to_scwrl_710117429.seq -o /var/tmp/from_scwrl_710117429.pdb > /var/tmp/scwrl_710117429.log Error: Couldn't open file /var/tmp/from_scwrl_710117429.pdb or /var/tmp/from_scwrl_710117429.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_710117429_b.pdb or decoys//var/tmp/from_scwrl_710117429_b.pdb.gz for input Trying /var/tmp/from_scwrl_710117429_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_710117429_b.pdb or /var/tmp/from_scwrl_710117429_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_710117429_a.pdb or decoys//var/tmp/from_scwrl_710117429_a.pdb.gz for input Trying /var/tmp/from_scwrl_710117429_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_710117429_a.pdb or /var/tmp/from_scwrl_710117429_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_710117429.pdb or /var/tmp/from_scwrl_710117429_b.pdb or /var/tmp/from_scwrl_710117429_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 T0324 can't currently be optimized by undertaker # naming current conformation Distill_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1168366173.pdb -s /var/tmp/to_scwrl_1168366173.seq -o /var/tmp/from_scwrl_1168366173.pdb > /var/tmp/scwrl_1168366173.log Error: Couldn't open file /var/tmp/from_scwrl_1168366173.pdb or /var/tmp/from_scwrl_1168366173.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1168366173_b.pdb or decoys//var/tmp/from_scwrl_1168366173_b.pdb.gz for input Trying /var/tmp/from_scwrl_1168366173_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1168366173_b.pdb or /var/tmp/from_scwrl_1168366173_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1168366173_a.pdb or decoys//var/tmp/from_scwrl_1168366173_a.pdb.gz for input Trying /var/tmp/from_scwrl_1168366173_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1168366173_a.pdb or /var/tmp/from_scwrl_1168366173_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1168366173.pdb or /var/tmp/from_scwrl_1168366173_b.pdb or /var/tmp/from_scwrl_1168366173_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 T0324 can't currently be optimized by undertaker # naming current conformation Distill_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1082692652.pdb -s /var/tmp/to_scwrl_1082692652.seq -o /var/tmp/from_scwrl_1082692652.pdb > /var/tmp/scwrl_1082692652.log Error: Couldn't open file /var/tmp/from_scwrl_1082692652.pdb or /var/tmp/from_scwrl_1082692652.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1082692652_b.pdb or decoys//var/tmp/from_scwrl_1082692652_b.pdb.gz for input Trying /var/tmp/from_scwrl_1082692652_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1082692652_b.pdb or /var/tmp/from_scwrl_1082692652_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1082692652_a.pdb or decoys//var/tmp/from_scwrl_1082692652_a.pdb.gz for input Trying /var/tmp/from_scwrl_1082692652_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1082692652_a.pdb or /var/tmp/from_scwrl_1082692652_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1082692652.pdb or /var/tmp/from_scwrl_1082692652_b.pdb or /var/tmp/from_scwrl_1082692652_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 205 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_812339274.pdb -s /var/tmp/to_scwrl_812339274.seq -o /var/tmp/from_scwrl_812339274.pdb > /var/tmp/scwrl_812339274.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_812339274.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 T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FAMSD_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_2035273292.pdb -s /var/tmp/to_scwrl_2035273292.seq -o /var/tmp/from_scwrl_2035273292.pdb > /var/tmp/scwrl_2035273292.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2035273292.pdb # conformation set from SCWRL output # naming current conformation FAMSD_TS2-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS3.pdb.gz looking for model 1 # Found a chain break before 204 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_83377693.pdb -s /var/tmp/to_scwrl_83377693.seq -o /var/tmp/from_scwrl_83377693.pdb > /var/tmp/scwrl_83377693.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_83377693.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 T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FAMSD_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1331055253.pdb -s /var/tmp/to_scwrl_1331055253.seq -o /var/tmp/from_scwrl_1331055253.pdb > /var/tmp/scwrl_1331055253.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1331055253.pdb # conformation set from SCWRL output # naming current conformation FAMSD_TS4-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS5.pdb.gz looking for model 1 # Found a chain break before 201 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_681431851.pdb -s /var/tmp/to_scwrl_681431851.seq -o /var/tmp/from_scwrl_681431851.pdb > /var/tmp/scwrl_681431851.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_681431851.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 204 # copying to AlignedFragments data structure # naming current conformation FAMS_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1600282978.pdb -s /var/tmp/to_scwrl_1600282978.seq -o /var/tmp/from_scwrl_1600282978.pdb > /var/tmp/scwrl_1600282978.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1600282978.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS1-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS2.pdb.gz looking for model 1 # Found a chain break before 201 # copying to AlignedFragments data structure # naming current conformation FAMS_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1413437618.pdb -s /var/tmp/to_scwrl_1413437618.seq -o /var/tmp/from_scwrl_1413437618.pdb > /var/tmp/scwrl_1413437618.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1413437618.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 205 # copying to AlignedFragments data structure # naming current conformation FAMS_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1663183242.pdb -s /var/tmp/to_scwrl_1663183242.seq -o /var/tmp/from_scwrl_1663183242.pdb > /var/tmp/scwrl_1663183242.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1663183242.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 ; scwrl3 -i /var/tmp/to_scwrl_513126334.pdb -s /var/tmp/to_scwrl_513126334.seq -o /var/tmp/from_scwrl_513126334.pdb > /var/tmp/scwrl_513126334.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_513126334.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 201 # copying to AlignedFragments data structure # naming current conformation FAMS_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_680852756.pdb -s /var/tmp/to_scwrl_680852756.seq -o /var/tmp/from_scwrl_680852756.pdb > /var/tmp/scwrl_680852756.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_680852756.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 191 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1978357348.pdb -s /var/tmp/to_scwrl_1978357348.seq -o /var/tmp/from_scwrl_1978357348.pdb > /var/tmp/scwrl_1978357348.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1978357348.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 187 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1930768309.pdb -s /var/tmp/to_scwrl_1930768309.seq -o /var/tmp/from_scwrl_1930768309.pdb > /var/tmp/scwrl_1930768309.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1930768309.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 197 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_504673157.pdb -s /var/tmp/to_scwrl_504673157.seq -o /var/tmp/from_scwrl_504673157.pdb > /var/tmp/scwrl_504673157.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_504673157.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 206 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_2103402572.pdb -s /var/tmp/to_scwrl_2103402572.seq -o /var/tmp/from_scwrl_2103402572.pdb > /var/tmp/scwrl_2103402572.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2103402572.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 203 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1047848661.pdb -s /var/tmp/to_scwrl_1047848661.seq -o /var/tmp/from_scwrl_1047848661.pdb > /var/tmp/scwrl_1047848661.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1047848661.pdb # conformation set from SCWRL output # naming current conformation FOLDpro_TS5-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL1.pdb.gz looking for model 1 Skipped atom 15, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 300, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_78836082.pdb -s /var/tmp/to_scwrl_78836082.seq -o /var/tmp/from_scwrl_78836082.pdb > /var/tmp/scwrl_78836082.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_78836082.pdb # conformation set from SCWRL output # naming current conformation FORTE1_AL1-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_190123415.pdb -s /var/tmp/to_scwrl_190123415.seq -o /var/tmp/from_scwrl_190123415.pdb > /var/tmp/scwrl_190123415.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_190123415.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 38, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL3.pdb.gz Skipped atom 40, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL3.pdb.gz Skipped atom 42, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL3.pdb.gz Skipped atom 44, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL3.pdb.gz Skipped atom 102, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL3.pdb.gz Skipped atom 104, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL3.pdb.gz Skipped atom 106, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL3.pdb.gz Skipped atom 108, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL3.pdb.gz Skipped atom 206, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL3.pdb.gz Skipped atom 208, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL3.pdb.gz Skipped atom 210, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL3.pdb.gz Skipped atom 212, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL3.pdb.gz Skipped atom 242, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL3.pdb.gz Skipped atom 244, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL3.pdb.gz Skipped atom 246, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL3.pdb.gz Skipped atom 248, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL3.pdb.gz Skipped atom 482, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL3.pdb.gz Skipped atom 484, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL3.pdb.gz Skipped atom 486, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL3.pdb.gz Skipped atom 488, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL3.pdb.gz # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1098323891.pdb -s /var/tmp/to_scwrl_1098323891.seq -o /var/tmp/from_scwrl_1098323891.pdb > /var/tmp/scwrl_1098323891.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1098323891.pdb # conformation set from SCWRL output # naming current conformation FORTE1_AL3-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL4.pdb.gz looking for model 1 Skipped atom 786, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 788, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 790, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 792, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 794, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 796, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 798, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 800, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 802, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 804, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 806, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 808, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 810, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 812, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 814, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 816, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 818, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 820, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 822, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 824, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 826, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 828, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 830, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 832, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz # WARNING: incomplete conformation T0324 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 ; scwrl3 -i /var/tmp/to_scwrl_602842380.pdb -s /var/tmp/to_scwrl_602842380.seq -o /var/tmp/from_scwrl_602842380.pdb > /var/tmp/scwrl_602842380.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_602842380.pdb # conformation set from SCWRL output # naming current conformation FORTE1_AL4-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1659628504.pdb -s /var/tmp/to_scwrl_1659628504.seq -o /var/tmp/from_scwrl_1659628504.pdb > /var/tmp/scwrl_1659628504.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1659628504.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 15, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 300, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE2_AL1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_704550843.pdb -s /var/tmp/to_scwrl_704550843.seq -o /var/tmp/from_scwrl_704550843.pdb > /var/tmp/scwrl_704550843.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_704550843.pdb # conformation set from SCWRL output # naming current conformation FORTE2_AL1-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL2.pdb.gz looking for model 1 Skipped atom 38, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 40, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 42, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 44, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 102, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 104, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 106, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 108, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 206, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 208, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 210, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 212, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 242, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 244, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 246, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 248, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 482, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 484, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 486, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 488, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE2_AL2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_145402845.pdb -s /var/tmp/to_scwrl_145402845.seq -o /var/tmp/from_scwrl_145402845.pdb > /var/tmp/scwrl_145402845.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_145402845.pdb # conformation set from SCWRL output # naming current conformation FORTE2_AL2-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE2_AL3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1140326434.pdb -s /var/tmp/to_scwrl_1140326434.seq -o /var/tmp/from_scwrl_1140326434.pdb > /var/tmp/scwrl_1140326434.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1140326434.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 T0324 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 ; scwrl3 -i /var/tmp/to_scwrl_299926758.pdb -s /var/tmp/to_scwrl_299926758.seq -o /var/tmp/from_scwrl_299926758.pdb > /var/tmp/scwrl_299926758.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_299926758.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 T0324 can't currently be optimized by undertaker # naming current conformation FORTE2_AL5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_845260811.pdb -s /var/tmp/to_scwrl_845260811.seq -o /var/tmp/from_scwrl_845260811.pdb > /var/tmp/scwrl_845260811.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_845260811.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 203 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_2128368333.pdb -s /var/tmp/to_scwrl_2128368333.seq -o /var/tmp/from_scwrl_2128368333.pdb > /var/tmp/scwrl_2128368333.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2128368333.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 206 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_756937404.pdb -s /var/tmp/to_scwrl_756937404.seq -o /var/tmp/from_scwrl_756937404.pdb > /var/tmp/scwrl_756937404.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_756937404.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 207 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_830089656.pdb -s /var/tmp/to_scwrl_830089656.seq -o /var/tmp/from_scwrl_830089656.pdb > /var/tmp/scwrl_830089656.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_830089656.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 ; scwrl3 -i /var/tmp/to_scwrl_691002116.pdb -s /var/tmp/to_scwrl_691002116.seq -o /var/tmp/from_scwrl_691002116.pdb > /var/tmp/scwrl_691002116.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_691002116.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 ; scwrl3 -i /var/tmp/to_scwrl_1925303577.pdb -s /var/tmp/to_scwrl_1925303577.seq -o /var/tmp/from_scwrl_1925303577.pdb > /var/tmp/scwrl_1925303577.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1925303577.pdb # conformation set from SCWRL output # naming current conformation FPSOLVER-SERVER_TS5-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS1.pdb.gz looking for model 1 # Found a chain break before 184 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1912782308.pdb -s /var/tmp/to_scwrl_1912782308.seq -o /var/tmp/from_scwrl_1912782308.pdb > /var/tmp/scwrl_1912782308.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1912782308.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS1-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1503341389.pdb -s /var/tmp/to_scwrl_1503341389.seq -o /var/tmp/from_scwrl_1503341389.pdb > /var/tmp/scwrl_1503341389.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1503341389.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS2-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1813093222.pdb -s /var/tmp/to_scwrl_1813093222.seq -o /var/tmp/from_scwrl_1813093222.pdb > /var/tmp/scwrl_1813093222.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1813093222.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS3-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1996160001.pdb -s /var/tmp/to_scwrl_1996160001.seq -o /var/tmp/from_scwrl_1996160001.pdb > /var/tmp/scwrl_1996160001.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1996160001.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS4-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_686912997.pdb -s /var/tmp/to_scwrl_686912997.seq -o /var/tmp/from_scwrl_686912997.pdb > /var/tmp/scwrl_686912997.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_686912997.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 T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_347041426.pdb -s /var/tmp/to_scwrl_347041426.seq -o /var/tmp/from_scwrl_347041426.pdb > /var/tmp/scwrl_347041426.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_347041426.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 T0324 can't currently be optimized by undertaker # naming current conformation FUGUE_AL2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1448959332.pdb -s /var/tmp/to_scwrl_1448959332.seq -o /var/tmp/from_scwrl_1448959332.pdb > /var/tmp/scwrl_1448959332.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1448959332.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 T0324 can't currently be optimized by undertaker # naming current conformation FUGUE_AL3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_2100350615.pdb -s /var/tmp/to_scwrl_2100350615.seq -o /var/tmp/from_scwrl_2100350615.pdb > /var/tmp/scwrl_2100350615.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2100350615.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 T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_2010224668.pdb -s /var/tmp/to_scwrl_2010224668.seq -o /var/tmp/from_scwrl_2010224668.pdb > /var/tmp/scwrl_2010224668.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2010224668.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 T0324 can't currently be optimized by undertaker # naming current conformation FUGUE_AL5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1962085666.pdb -s /var/tmp/to_scwrl_1962085666.seq -o /var/tmp/from_scwrl_1962085666.pdb > /var/tmp/scwrl_1962085666.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1962085666.pdb # conformation set from SCWRL output # naming current conformation FUGUE_AL5-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS1.pdb.gz looking for model 1 # Found a chain break before 205 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_633719724.pdb -s /var/tmp/to_scwrl_633719724.seq -o /var/tmp/from_scwrl_633719724.pdb > /var/tmp/scwrl_633719724.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_633719724.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS1-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS2.pdb.gz looking for model 1 # Found a chain break before 200 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1841098369.pdb -s /var/tmp/to_scwrl_1841098369.seq -o /var/tmp/from_scwrl_1841098369.pdb > /var/tmp/scwrl_1841098369.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1841098369.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS2-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS3.pdb.gz looking for model 1 # Found a chain break before 204 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1745370329.pdb -s /var/tmp/to_scwrl_1745370329.seq -o /var/tmp/from_scwrl_1745370329.pdb > /var/tmp/scwrl_1745370329.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1745370329.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS3-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS4.pdb.gz looking for model 1 # Found a chain break before 200 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1138392880.pdb -s /var/tmp/to_scwrl_1138392880.seq -o /var/tmp/from_scwrl_1138392880.pdb > /var/tmp/scwrl_1138392880.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1138392880.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS4-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS5.pdb.gz looking for model 1 # Found a chain break before 204 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1797017294.pdb -s /var/tmp/to_scwrl_1797017294.seq -o /var/tmp/from_scwrl_1797017294.pdb > /var/tmp/scwrl_1797017294.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1797017294.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS5-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS1.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_645735343.pdb -s /var/tmp/to_scwrl_645735343.seq -o /var/tmp/from_scwrl_645735343.pdb > /var/tmp/scwrl_645735343.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_645735343.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS1-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS2.pdb.gz looking for model 1 # Found a chain break before 186 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1217228962.pdb -s /var/tmp/to_scwrl_1217228962.seq -o /var/tmp/from_scwrl_1217228962.pdb > /var/tmp/scwrl_1217228962.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1217228962.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS2-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS3.pdb.gz looking for model 1 # Found a chain break before 184 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1987140709.pdb -s /var/tmp/to_scwrl_1987140709.seq -o /var/tmp/from_scwrl_1987140709.pdb > /var/tmp/scwrl_1987140709.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1987140709.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS3-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS4.pdb.gz looking for model 1 # Found a chain break before 134 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1744059234.pdb -s /var/tmp/to_scwrl_1744059234.seq -o /var/tmp/from_scwrl_1744059234.pdb > /var/tmp/scwrl_1744059234.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1744059234.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS4-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS5.pdb.gz looking for model 1 # Found a chain break before 186 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1820071342.pdb -s /var/tmp/to_scwrl_1820071342.seq -o /var/tmp/from_scwrl_1820071342.pdb > /var/tmp/scwrl_1820071342.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1820071342.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 191 # copying to AlignedFragments data structure # naming current conformation HHpred1_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1499285566.pdb -s /var/tmp/to_scwrl_1499285566.seq -o /var/tmp/from_scwrl_1499285566.pdb > /var/tmp/scwrl_1499285566.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1499285566.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 173 # copying to AlignedFragments data structure # naming current conformation HHpred2_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_301126430.pdb -s /var/tmp/to_scwrl_301126430.seq -o /var/tmp/from_scwrl_301126430.pdb > /var/tmp/scwrl_301126430.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_301126430.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 97 # copying to AlignedFragments data structure # naming current conformation HHpred3_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1965474187.pdb -s /var/tmp/to_scwrl_1965474187.seq -o /var/tmp/from_scwrl_1965474187.pdb > /var/tmp/scwrl_1965474187.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1965474187.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 T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Huber-Torda-Server_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_492128354.pdb -s /var/tmp/to_scwrl_492128354.seq -o /var/tmp/from_scwrl_492128354.pdb > /var/tmp/scwrl_492128354.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_492128354.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 T0324 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_601053189.pdb -s /var/tmp/to_scwrl_601053189.seq -o /var/tmp/from_scwrl_601053189.pdb > /var/tmp/scwrl_601053189.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_601053189.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 T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Huber-Torda-Server_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_663251352.pdb -s /var/tmp/to_scwrl_663251352.seq -o /var/tmp/from_scwrl_663251352.pdb > /var/tmp/scwrl_663251352.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_663251352.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 T0324 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_473013041.pdb -s /var/tmp/to_scwrl_473013041.seq -o /var/tmp/from_scwrl_473013041.pdb > /var/tmp/scwrl_473013041.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_473013041.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 T0324 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1357990592.pdb -s /var/tmp/to_scwrl_1357990592.seq -o /var/tmp/from_scwrl_1357990592.pdb > /var/tmp/scwrl_1357990592.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1357990592.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 T0324 can't currently be optimized by undertaker # naming current conformation LOOPP_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1493341007.pdb -s /var/tmp/to_scwrl_1493341007.seq -o /var/tmp/from_scwrl_1493341007.pdb > /var/tmp/scwrl_1493341007.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1493341007.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 T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation LOOPP_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1164015156.pdb -s /var/tmp/to_scwrl_1164015156.seq -o /var/tmp/from_scwrl_1164015156.pdb > /var/tmp/scwrl_1164015156.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1164015156.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 T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation LOOPP_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1135810522.pdb -s /var/tmp/to_scwrl_1135810522.seq -o /var/tmp/from_scwrl_1135810522.pdb > /var/tmp/scwrl_1135810522.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1135810522.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 T0324 can't currently be optimized by undertaker # naming current conformation LOOPP_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1258639668.pdb -s /var/tmp/to_scwrl_1258639668.seq -o /var/tmp/from_scwrl_1258639668.pdb > /var/tmp/scwrl_1258639668.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1258639668.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 T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation LOOPP_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_519872899.pdb -s /var/tmp/to_scwrl_519872899.seq -o /var/tmp/from_scwrl_519872899.pdb > /var/tmp/scwrl_519872899.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_519872899.pdb # conformation set from SCWRL output # naming current conformation LOOPP_TS5-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS1.pdb.gz looking for model 1 # Found a chain break before 182 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_801420098.pdb -s /var/tmp/to_scwrl_801420098.seq -o /var/tmp/from_scwrl_801420098.pdb > /var/tmp/scwrl_801420098.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_801420098.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 129 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1107316023.pdb -s /var/tmp/to_scwrl_1107316023.seq -o /var/tmp/from_scwrl_1107316023.pdb > /var/tmp/scwrl_1107316023.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1107316023.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 206 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1206785895.pdb -s /var/tmp/to_scwrl_1206785895.seq -o /var/tmp/from_scwrl_1206785895.pdb > /var/tmp/scwrl_1206785895.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1206785895.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 192 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1148461523.pdb -s /var/tmp/to_scwrl_1148461523.seq -o /var/tmp/from_scwrl_1148461523.pdb > /var/tmp/scwrl_1148461523.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1148461523.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 184 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_408791709.pdb -s /var/tmp/to_scwrl_408791709.seq -o /var/tmp/from_scwrl_408791709.pdb > /var/tmp/scwrl_408791709.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_408791709.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 123 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1159652863.pdb -s /var/tmp/to_scwrl_1159652863.seq -o /var/tmp/from_scwrl_1159652863.pdb > /var/tmp/scwrl_1159652863.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1159652863.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 129 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1011202545.pdb -s /var/tmp/to_scwrl_1011202545.seq -o /var/tmp/from_scwrl_1011202545.pdb > /var/tmp/scwrl_1011202545.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1011202545.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 192 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_223393729.pdb -s /var/tmp/to_scwrl_223393729.seq -o /var/tmp/from_scwrl_223393729.pdb > /var/tmp/scwrl_223393729.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_223393729.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 155 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1793372587.pdb -s /var/tmp/to_scwrl_1793372587.seq -o /var/tmp/from_scwrl_1793372587.pdb > /var/tmp/scwrl_1793372587.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1793372587.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 184 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_704817267.pdb -s /var/tmp/to_scwrl_704817267.seq -o /var/tmp/from_scwrl_704817267.pdb > /var/tmp/scwrl_704817267.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_704817267.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 196 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1968764058.pdb -s /var/tmp/to_scwrl_1968764058.seq -o /var/tmp/from_scwrl_1968764058.pdb > /var/tmp/scwrl_1968764058.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1968764058.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 205 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_784281821.pdb -s /var/tmp/to_scwrl_784281821.seq -o /var/tmp/from_scwrl_784281821.pdb > /var/tmp/scwrl_784281821.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_784281821.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 198 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_354350914.pdb -s /var/tmp/to_scwrl_354350914.seq -o /var/tmp/from_scwrl_354350914.pdb > /var/tmp/scwrl_354350914.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_354350914.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 207 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_467015754.pdb -s /var/tmp/to_scwrl_467015754.seq -o /var/tmp/from_scwrl_467015754.pdb > /var/tmp/scwrl_467015754.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_467015754.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 201 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_2001510783.pdb -s /var/tmp/to_scwrl_2001510783.seq -o /var/tmp/from_scwrl_2001510783.pdb > /var/tmp/scwrl_2001510783.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2001510783.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 T0324 can't currently be optimized by undertaker # naming current conformation NN_PUT_lab_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_194007976.pdb -s /var/tmp/to_scwrl_194007976.seq -o /var/tmp/from_scwrl_194007976.pdb > /var/tmp/scwrl_194007976.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_194007976.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 # naming current conformation PROTINFO-AB_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_63591341.pdb -s /var/tmp/to_scwrl_63591341.seq -o /var/tmp/from_scwrl_63591341.pdb > /var/tmp/scwrl_63591341.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_63591341.pdb # conformation set from SCWRL output # naming current conformation PROTINFO-AB_TS1-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS2.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1674098479.pdb -s /var/tmp/to_scwrl_1674098479.seq -o /var/tmp/from_scwrl_1674098479.pdb > /var/tmp/scwrl_1674098479.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1674098479.pdb # conformation set from SCWRL output # naming current conformation PROTINFO-AB_TS2-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS3.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1693293542.pdb -s /var/tmp/to_scwrl_1693293542.seq -o /var/tmp/from_scwrl_1693293542.pdb > /var/tmp/scwrl_1693293542.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1693293542.pdb # conformation set from SCWRL output # naming current conformation PROTINFO-AB_TS3-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS4.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_364717772.pdb -s /var/tmp/to_scwrl_364717772.seq -o /var/tmp/from_scwrl_364717772.pdb > /var/tmp/scwrl_364717772.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_364717772.pdb # conformation set from SCWRL output # naming current conformation PROTINFO-AB_TS4-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS5.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1492089019.pdb -s /var/tmp/to_scwrl_1492089019.seq -o /var/tmp/from_scwrl_1492089019.pdb > /var/tmp/scwrl_1492089019.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1492089019.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 193 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_37938250.pdb -s /var/tmp/to_scwrl_37938250.seq -o /var/tmp/from_scwrl_37938250.pdb > /var/tmp/scwrl_37938250.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_37938250.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 173 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_965770961.pdb -s /var/tmp/to_scwrl_965770961.seq -o /var/tmp/from_scwrl_965770961.pdb > /var/tmp/scwrl_965770961.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_965770961.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 202 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_7856724.pdb -s /var/tmp/to_scwrl_7856724.seq -o /var/tmp/from_scwrl_7856724.pdb > /var/tmp/scwrl_7856724.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_7856724.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 136 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_510951291.pdb -s /var/tmp/to_scwrl_510951291.seq -o /var/tmp/from_scwrl_510951291.pdb > /var/tmp/scwrl_510951291.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_510951291.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 # naming current conformation PROTINFO_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_176277906.pdb -s /var/tmp/to_scwrl_176277906.seq -o /var/tmp/from_scwrl_176277906.pdb > /var/tmp/scwrl_176277906.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_176277906.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 T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Pcons6_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1501197731.pdb -s /var/tmp/to_scwrl_1501197731.seq -o /var/tmp/from_scwrl_1501197731.pdb > /var/tmp/scwrl_1501197731.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1501197731.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 T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Pcons6_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1674966447.pdb -s /var/tmp/to_scwrl_1674966447.seq -o /var/tmp/from_scwrl_1674966447.pdb > /var/tmp/scwrl_1674966447.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1674966447.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 T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Pcons6_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1312088428.pdb -s /var/tmp/to_scwrl_1312088428.seq -o /var/tmp/from_scwrl_1312088428.pdb > /var/tmp/scwrl_1312088428.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1312088428.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 T0324 can't currently be optimized by undertaker # naming current conformation Pcons6_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_612353754.pdb -s /var/tmp/to_scwrl_612353754.seq -o /var/tmp/from_scwrl_612353754.pdb > /var/tmp/scwrl_612353754.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_612353754.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 T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Pcons6_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_47355699.pdb -s /var/tmp/to_scwrl_47355699.seq -o /var/tmp/from_scwrl_47355699.pdb > /var/tmp/scwrl_47355699.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_47355699.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 T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-1_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_2113508526.pdb -s /var/tmp/to_scwrl_2113508526.seq -o /var/tmp/from_scwrl_2113508526.pdb > /var/tmp/scwrl_2113508526.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2113508526.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 # Found a chain break before 194 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1719669777.pdb -s /var/tmp/to_scwrl_1719669777.seq -o /var/tmp/from_scwrl_1719669777.pdb > /var/tmp/scwrl_1719669777.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1719669777.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 207 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1254141595.pdb -s /var/tmp/to_scwrl_1254141595.seq -o /var/tmp/from_scwrl_1254141595.pdb > /var/tmp/scwrl_1254141595.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1254141595.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS2-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1114486402.pdb -s /var/tmp/to_scwrl_1114486402.seq -o /var/tmp/from_scwrl_1114486402.pdb > /var/tmp/scwrl_1114486402.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1114486402.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 ; scwrl3 -i /var/tmp/to_scwrl_2128461486.pdb -s /var/tmp/to_scwrl_2128461486.seq -o /var/tmp/from_scwrl_2128461486.pdb > /var/tmp/scwrl_2128461486.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2128461486.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 # Found a chain break before 207 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_266310812.pdb -s /var/tmp/to_scwrl_266310812.seq -o /var/tmp/from_scwrl_266310812.pdb > /var/tmp/scwrl_266310812.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_266310812.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS5-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_2125688947.pdb -s /var/tmp/to_scwrl_2125688947.seq -o /var/tmp/from_scwrl_2125688947.pdb > /var/tmp/scwrl_2125688947.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2125688947.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 138 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_204371568.pdb -s /var/tmp/to_scwrl_204371568.seq -o /var/tmp/from_scwrl_204371568.pdb > /var/tmp/scwrl_204371568.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_204371568.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS2-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS3.pdb.gz looking for model 1 # Found a chain break before 189 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_2059683400.pdb -s /var/tmp/to_scwrl_2059683400.seq -o /var/tmp/from_scwrl_2059683400.pdb > /var/tmp/scwrl_2059683400.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2059683400.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 # Found a chain break before 192 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_683022567.pdb -s /var/tmp/to_scwrl_683022567.seq -o /var/tmp/from_scwrl_683022567.pdb > /var/tmp/scwrl_683022567.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_683022567.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 T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_25651979.pdb -s /var/tmp/to_scwrl_25651979.seq -o /var/tmp/from_scwrl_25651979.pdb > /var/tmp/scwrl_25651979.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_25651979.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 # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_696481574.pdb -s /var/tmp/to_scwrl_696481574.seq -o /var/tmp/from_scwrl_696481574.pdb > /var/tmp/scwrl_696481574.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_696481574.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 183 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1037373481.pdb -s /var/tmp/to_scwrl_1037373481.seq -o /var/tmp/from_scwrl_1037373481.pdb > /var/tmp/scwrl_1037373481.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1037373481.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 184 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_492667733.pdb -s /var/tmp/to_scwrl_492667733.seq -o /var/tmp/from_scwrl_492667733.pdb > /var/tmp/scwrl_492667733.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_492667733.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 # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_550508711.pdb -s /var/tmp/to_scwrl_550508711.seq -o /var/tmp/from_scwrl_550508711.pdb > /var/tmp/scwrl_550508711.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_550508711.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 133 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1231381456.pdb -s /var/tmp/to_scwrl_1231381456.seq -o /var/tmp/from_scwrl_1231381456.pdb > /var/tmp/scwrl_1231381456.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1231381456.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 139 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_556259075.pdb -s /var/tmp/to_scwrl_556259075.seq -o /var/tmp/from_scwrl_556259075.pdb > /var/tmp/scwrl_556259075.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_556259075.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 190 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_77123543.pdb -s /var/tmp/to_scwrl_77123543.seq -o /var/tmp/from_scwrl_77123543.pdb > /var/tmp/scwrl_77123543.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_77123543.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 179 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_777191352.pdb -s /var/tmp/to_scwrl_777191352.seq -o /var/tmp/from_scwrl_777191352.pdb > /var/tmp/scwrl_777191352.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_777191352.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 204 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_920976847.pdb -s /var/tmp/to_scwrl_920976847.seq -o /var/tmp/from_scwrl_920976847.pdb > /var/tmp/scwrl_920976847.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_920976847.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 199 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1569212562.pdb -s /var/tmp/to_scwrl_1569212562.seq -o /var/tmp/from_scwrl_1569212562.pdb > /var/tmp/scwrl_1569212562.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1569212562.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 191 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_815129602.pdb -s /var/tmp/to_scwrl_815129602.seq -o /var/tmp/from_scwrl_815129602.pdb > /var/tmp/scwrl_815129602.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_815129602.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 182 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1886747807.pdb -s /var/tmp/to_scwrl_1886747807.seq -o /var/tmp/from_scwrl_1886747807.pdb > /var/tmp/scwrl_1886747807.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1886747807.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 186 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1577069287.pdb -s /var/tmp/to_scwrl_1577069287.seq -o /var/tmp/from_scwrl_1577069287.pdb > /var/tmp/scwrl_1577069287.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1577069287.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 201 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1326080892.pdb -s /var/tmp/to_scwrl_1326080892.seq -o /var/tmp/from_scwrl_1326080892.pdb > /var/tmp/scwrl_1326080892.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1326080892.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 199 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_2063025713.pdb -s /var/tmp/to_scwrl_2063025713.seq -o /var/tmp/from_scwrl_2063025713.pdb > /var/tmp/scwrl_2063025713.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2063025713.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 192 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_930783372.pdb -s /var/tmp/to_scwrl_930783372.seq -o /var/tmp/from_scwrl_930783372.pdb > /var/tmp/scwrl_930783372.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_930783372.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 190 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_853563693.pdb -s /var/tmp/to_scwrl_853563693.seq -o /var/tmp/from_scwrl_853563693.pdb > /var/tmp/scwrl_853563693.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_853563693.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 189 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1227630494.pdb -s /var/tmp/to_scwrl_1227630494.seq -o /var/tmp/from_scwrl_1227630494.pdb > /var/tmp/scwrl_1227630494.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1227630494.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 138 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1543137125.pdb -s /var/tmp/to_scwrl_1543137125.seq -o /var/tmp/from_scwrl_1543137125.pdb > /var/tmp/scwrl_1543137125.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1543137125.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 138 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_900919393.pdb -s /var/tmp/to_scwrl_900919393.seq -o /var/tmp/from_scwrl_900919393.pdb > /var/tmp/scwrl_900919393.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_900919393.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 184 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1193655373.pdb -s /var/tmp/to_scwrl_1193655373.seq -o /var/tmp/from_scwrl_1193655373.pdb > /var/tmp/scwrl_1193655373.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1193655373.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 176 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1115323255.pdb -s /var/tmp/to_scwrl_1115323255.seq -o /var/tmp/from_scwrl_1115323255.pdb > /var/tmp/scwrl_1115323255.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1115323255.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 179 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_7577341.pdb -s /var/tmp/to_scwrl_7577341.seq -o /var/tmp/from_scwrl_7577341.pdb > /var/tmp/scwrl_7577341.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_7577341.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 186 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_160658129.pdb -s /var/tmp/to_scwrl_160658129.seq -o /var/tmp/from_scwrl_160658129.pdb > /var/tmp/scwrl_160658129.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_160658129.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 194 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1096301095.pdb -s /var/tmp/to_scwrl_1096301095.seq -o /var/tmp/from_scwrl_1096301095.pdb > /var/tmp/scwrl_1096301095.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1096301095.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 T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation SAM-T02_AL1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_273888153.pdb -s /var/tmp/to_scwrl_273888153.seq -o /var/tmp/from_scwrl_273888153.pdb > /var/tmp/scwrl_273888153.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_273888153.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 T0324 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_138863429.pdb -s /var/tmp/to_scwrl_138863429.seq -o /var/tmp/from_scwrl_138863429.pdb > /var/tmp/scwrl_138863429.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_138863429.pdb # conformation set from SCWRL output # naming current conformation SAM-T02_AL2-scwrl # ReadConformPDB reading from PDB file servers/SAM-T02_AL3.pdb.gz looking for model 1 Skipped atom 294, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 296, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 298, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 300, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 346, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 348, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 350, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 352, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 366, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 368, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 370, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 372, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 374, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 376, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 378, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 380, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 654, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 656, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 658, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 660, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation SAM-T02_AL3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1300672663.pdb -s /var/tmp/to_scwrl_1300672663.seq -o /var/tmp/from_scwrl_1300672663.pdb > /var/tmp/scwrl_1300672663.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1300672663.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 30, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 32, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 34, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 36, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 94, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 96, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 98, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 100, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 202, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 204, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 206, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 208, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 470, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 472, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 474, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 476, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_186087906.pdb -s /var/tmp/to_scwrl_186087906.seq -o /var/tmp/from_scwrl_186087906.pdb > /var/tmp/scwrl_186087906.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_186087906.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 T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation SAM-T02_AL5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_821885996.pdb -s /var/tmp/to_scwrl_821885996.seq -o /var/tmp/from_scwrl_821885996.pdb > /var/tmp/scwrl_821885996.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_821885996.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 Skipped atom 186, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL1.pdb.gz Skipped atom 188, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL1.pdb.gz Skipped atom 190, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL1.pdb.gz Skipped atom 192, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL1.pdb.gz Skipped atom 194, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL1.pdb.gz Skipped atom 196, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL1.pdb.gz Skipped atom 198, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL1.pdb.gz Skipped atom 200, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL1.pdb.gz Skipped atom 262, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL1.pdb.gz Skipped atom 264, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL1.pdb.gz Skipped atom 266, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL1.pdb.gz Skipped atom 268, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL1.pdb.gz # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1326324643.pdb -s /var/tmp/to_scwrl_1326324643.seq -o /var/tmp/from_scwrl_1326324643.pdb > /var/tmp/scwrl_1326324643.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1326324643.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 T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation SAM-T99_AL2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_882569481.pdb -s /var/tmp/to_scwrl_882569481.seq -o /var/tmp/from_scwrl_882569481.pdb > /var/tmp/scwrl_882569481.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_882569481.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL2-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL3.pdb.gz looking for model 1 Skipped atom 22, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 24, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 26, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 28, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 86, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 88, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 90, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 92, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 194, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 196, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 198, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 200, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 230, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 232, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 234, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 236, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 466, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 468, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 470, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 472, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1859259476.pdb -s /var/tmp/to_scwrl_1859259476.seq -o /var/tmp/from_scwrl_1859259476.pdb > /var/tmp/scwrl_1859259476.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1859259476.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 T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation SAM-T99_AL4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1818992376.pdb -s /var/tmp/to_scwrl_1818992376.seq -o /var/tmp/from_scwrl_1818992376.pdb > /var/tmp/scwrl_1818992376.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1818992376.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 Skipped atom 106, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz Skipped atom 108, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz Skipped atom 110, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz Skipped atom 112, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz Skipped atom 118, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz Skipped atom 120, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz Skipped atom 122, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz Skipped atom 124, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz Skipped atom 142, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz Skipped atom 144, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz Skipped atom 146, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz Skipped atom 148, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz Skipped atom 346, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz Skipped atom 348, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz Skipped atom 350, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz Skipped atom 352, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz Skipped atom 394, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz Skipped atom 396, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz Skipped atom 398, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz Skipped atom 400, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz Skipped atom 550, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz Skipped atom 552, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz Skipped atom 554, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz Skipped atom 556, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation SAM-T99_AL5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1433078191.pdb -s /var/tmp/to_scwrl_1433078191.seq -o /var/tmp/from_scwrl_1433078191.pdb > /var/tmp/scwrl_1433078191.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1433078191.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 198 # copying to AlignedFragments data structure # naming current conformation SAM_T06_server_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_943157286.pdb -s /var/tmp/to_scwrl_943157286.seq -o /var/tmp/from_scwrl_943157286.pdb > /var/tmp/scwrl_943157286.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_943157286.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 T0324 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_227767804.pdb -s /var/tmp/to_scwrl_227767804.seq -o /var/tmp/from_scwrl_227767804.pdb > /var/tmp/scwrl_227767804.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_227767804.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 T0324 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1510201734.pdb -s /var/tmp/to_scwrl_1510201734.seq -o /var/tmp/from_scwrl_1510201734.pdb > /var/tmp/scwrl_1510201734.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1510201734.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 T0324 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1720348637.pdb -s /var/tmp/to_scwrl_1720348637.seq -o /var/tmp/from_scwrl_1720348637.pdb > /var/tmp/scwrl_1720348637.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1720348637.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 T0324 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1148744650.pdb -s /var/tmp/to_scwrl_1148744650.seq -o /var/tmp/from_scwrl_1148744650.pdb > /var/tmp/scwrl_1148744650.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1148744650.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 185 # copying to AlignedFragments data structure # naming current conformation SP3_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_931930650.pdb -s /var/tmp/to_scwrl_931930650.seq -o /var/tmp/from_scwrl_931930650.pdb > /var/tmp/scwrl_931930650.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_931930650.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 184 # copying to AlignedFragments data structure # naming current conformation SP3_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_387994593.pdb -s /var/tmp/to_scwrl_387994593.seq -o /var/tmp/from_scwrl_387994593.pdb > /var/tmp/scwrl_387994593.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_387994593.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 185 # copying to AlignedFragments data structure # naming current conformation SP3_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_888008811.pdb -s /var/tmp/to_scwrl_888008811.seq -o /var/tmp/from_scwrl_888008811.pdb > /var/tmp/scwrl_888008811.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_888008811.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 118 # copying to AlignedFragments data structure # naming current conformation SP3_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_361516290.pdb -s /var/tmp/to_scwrl_361516290.seq -o /var/tmp/from_scwrl_361516290.pdb > /var/tmp/scwrl_361516290.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_361516290.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 180 # copying to AlignedFragments data structure # naming current conformation SP3_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1714075485.pdb -s /var/tmp/to_scwrl_1714075485.seq -o /var/tmp/from_scwrl_1714075485.pdb > /var/tmp/scwrl_1714075485.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1714075485.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 184 # copying to AlignedFragments data structure # naming current conformation SP4_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_803550877.pdb -s /var/tmp/to_scwrl_803550877.seq -o /var/tmp/from_scwrl_803550877.pdb > /var/tmp/scwrl_803550877.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_803550877.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 185 # copying to AlignedFragments data structure # naming current conformation SP4_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1292299662.pdb -s /var/tmp/to_scwrl_1292299662.seq -o /var/tmp/from_scwrl_1292299662.pdb > /var/tmp/scwrl_1292299662.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1292299662.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 172 # copying to AlignedFragments data structure # naming current conformation SP4_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_420155532.pdb -s /var/tmp/to_scwrl_420155532.seq -o /var/tmp/from_scwrl_420155532.pdb > /var/tmp/scwrl_420155532.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_420155532.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 118 # copying to AlignedFragments data structure # naming current conformation SP4_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_2031181371.pdb -s /var/tmp/to_scwrl_2031181371.seq -o /var/tmp/from_scwrl_2031181371.pdb > /var/tmp/scwrl_2031181371.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2031181371.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 182 # copying to AlignedFragments data structure # naming current conformation SP4_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_687953141.pdb -s /var/tmp/to_scwrl_687953141.seq -o /var/tmp/from_scwrl_687953141.pdb > /var/tmp/scwrl_687953141.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_687953141.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 183 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1321074924.pdb -s /var/tmp/to_scwrl_1321074924.seq -o /var/tmp/from_scwrl_1321074924.pdb > /var/tmp/scwrl_1321074924.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1321074924.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 185 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1077353097.pdb -s /var/tmp/to_scwrl_1077353097.seq -o /var/tmp/from_scwrl_1077353097.pdb > /var/tmp/scwrl_1077353097.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1077353097.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 157 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1803276397.pdb -s /var/tmp/to_scwrl_1803276397.seq -o /var/tmp/from_scwrl_1803276397.pdb > /var/tmp/scwrl_1803276397.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1803276397.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 182 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1328652265.pdb -s /var/tmp/to_scwrl_1328652265.seq -o /var/tmp/from_scwrl_1328652265.pdb > /var/tmp/scwrl_1328652265.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1328652265.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 190 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1238011226.pdb -s /var/tmp/to_scwrl_1238011226.seq -o /var/tmp/from_scwrl_1238011226.pdb > /var/tmp/scwrl_1238011226.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1238011226.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 T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation UNI-EID_bnmx_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_752093846.pdb -s /var/tmp/to_scwrl_752093846.seq -o /var/tmp/from_scwrl_752093846.pdb > /var/tmp/scwrl_752093846.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_752093846.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 T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation UNI-EID_bnmx_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1602540418.pdb -s /var/tmp/to_scwrl_1602540418.seq -o /var/tmp/from_scwrl_1602540418.pdb > /var/tmp/scwrl_1602540418.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1602540418.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 T0324 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1376874655.pdb -s /var/tmp/to_scwrl_1376874655.seq -o /var/tmp/from_scwrl_1376874655.pdb > /var/tmp/scwrl_1376874655.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1376874655.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 T0324 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_2052766509.pdb -s /var/tmp/to_scwrl_2052766509.seq -o /var/tmp/from_scwrl_2052766509.pdb > /var/tmp/scwrl_2052766509.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2052766509.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 T0324 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1788628325.pdb -s /var/tmp/to_scwrl_1788628325.seq -o /var/tmp/from_scwrl_1788628325.pdb > /var/tmp/scwrl_1788628325.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1788628325.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 T0324 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 ; scwrl3 -i /var/tmp/to_scwrl_51277004.pdb -s /var/tmp/to_scwrl_51277004.seq -o /var/tmp/from_scwrl_51277004.pdb > /var/tmp/scwrl_51277004.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_51277004.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 T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation UNI-EID_sfst_AL1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1231607505.pdb -s /var/tmp/to_scwrl_1231607505.seq -o /var/tmp/from_scwrl_1231607505.pdb > /var/tmp/scwrl_1231607505.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1231607505.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 Skipped atom 34, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 36, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 38, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 40, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 98, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 100, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 102, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 104, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 202, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 204, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 206, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 208, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 474, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 476, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 478, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 480, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_523714159.pdb -s /var/tmp/to_scwrl_523714159.seq -o /var/tmp/from_scwrl_523714159.pdb > /var/tmp/scwrl_523714159.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_523714159.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 T0324 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1910536480.pdb -s /var/tmp/to_scwrl_1910536480.seq -o /var/tmp/from_scwrl_1910536480.pdb > /var/tmp/scwrl_1910536480.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1910536480.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 T0324 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_903116236.pdb -s /var/tmp/to_scwrl_903116236.seq -o /var/tmp/from_scwrl_903116236.pdb > /var/tmp/scwrl_903116236.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_903116236.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 Skipped atom 302, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 304, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 306, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 308, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 350, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 352, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 354, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 356, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 370, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 372, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 374, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 376, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 378, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 380, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 382, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 384, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 658, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 660, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 662, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 664, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation UNI-EID_sfst_AL5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1956792350.pdb -s /var/tmp/to_scwrl_1956792350.seq -o /var/tmp/from_scwrl_1956792350.pdb > /var/tmp/scwrl_1956792350.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1956792350.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 194 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_706210119.pdb -s /var/tmp/to_scwrl_706210119.seq -o /var/tmp/from_scwrl_706210119.pdb > /var/tmp/scwrl_706210119.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_706210119.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 184 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1130884039.pdb -s /var/tmp/to_scwrl_1130884039.seq -o /var/tmp/from_scwrl_1130884039.pdb > /var/tmp/scwrl_1130884039.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1130884039.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 190 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1319510437.pdb -s /var/tmp/to_scwrl_1319510437.seq -o /var/tmp/from_scwrl_1319510437.pdb > /var/tmp/scwrl_1319510437.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1319510437.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 206 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_279075110.pdb -s /var/tmp/to_scwrl_279075110.seq -o /var/tmp/from_scwrl_279075110.pdb > /var/tmp/scwrl_279075110.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_279075110.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 190 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_132145044.pdb -s /var/tmp/to_scwrl_132145044.seq -o /var/tmp/from_scwrl_132145044.pdb > /var/tmp/scwrl_132145044.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_132145044.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 207 # copying to AlignedFragments data structure # naming current conformation beautshot_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_103957440.pdb -s /var/tmp/to_scwrl_103957440.seq -o /var/tmp/from_scwrl_103957440.pdb > /var/tmp/scwrl_103957440.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_103957440.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 # Found a chain break before 195 # copying to AlignedFragments data structure # naming current conformation beautshotbase_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_667069703.pdb -s /var/tmp/to_scwrl_667069703.seq -o /var/tmp/from_scwrl_667069703.pdb > /var/tmp/scwrl_667069703.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_667069703.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 Skipped atom 63, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL1.pdb.gz Skipped atom 64, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL1.pdb.gz Skipped atom 97, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL1.pdb.gz Skipped atom 606, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL1.pdb.gz Skipped atom 611, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL1.pdb.gz Skipped atom 732, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL1.pdb.gz # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation forecast-s_AL1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1020153855.pdb -s /var/tmp/to_scwrl_1020153855.seq -o /var/tmp/from_scwrl_1020153855.pdb > /var/tmp/scwrl_1020153855.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1020153855.pdb # conformation set from SCWRL output # naming current conformation forecast-s_AL1-scwrl # ReadConformPDB reading from PDB file servers/forecast-s_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # naming current conformation forecast-s_AL2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_465473731.pdb -s /var/tmp/to_scwrl_465473731.seq -o /var/tmp/from_scwrl_465473731.pdb > /var/tmp/scwrl_465473731.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_465473731.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 T0324 can't currently be optimized by undertaker # naming current conformation forecast-s_AL3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_233661541.pdb -s /var/tmp/to_scwrl_233661541.seq -o /var/tmp/from_scwrl_233661541.pdb > /var/tmp/scwrl_233661541.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_233661541.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 Skipped atom 62, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL4.pdb.gz Skipped atom 64, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL4.pdb.gz Skipped atom 66, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL4.pdb.gz Skipped atom 68, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL4.pdb.gz Skipped atom 82, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL4.pdb.gz Skipped atom 84, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL4.pdb.gz Skipped atom 86, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL4.pdb.gz Skipped atom 88, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL4.pdb.gz Skipped atom 210, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL4.pdb.gz Skipped atom 212, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL4.pdb.gz Skipped atom 214, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL4.pdb.gz Skipped atom 216, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL4.pdb.gz Skipped atom 774, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL4.pdb.gz Skipped atom 776, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL4.pdb.gz Skipped atom 778, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL4.pdb.gz Skipped atom 780, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL4.pdb.gz # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # naming current conformation forecast-s_AL4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1823704732.pdb -s /var/tmp/to_scwrl_1823704732.seq -o /var/tmp/from_scwrl_1823704732.pdb > /var/tmp/scwrl_1823704732.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1823704732.pdb # conformation set from SCWRL output # naming current conformation forecast-s_AL4-scwrl # ReadConformPDB reading from PDB file servers/forecast-s_AL5.pdb.gz looking for model 1 Skipped atom 38, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL5.pdb.gz Skipped atom 40, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL5.pdb.gz Skipped atom 42, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL5.pdb.gz Skipped atom 44, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL5.pdb.gz Skipped atom 242, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL5.pdb.gz Skipped atom 244, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL5.pdb.gz Skipped atom 246, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL5.pdb.gz Skipped atom 248, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL5.pdb.gz Skipped atom 262, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL5.pdb.gz Skipped atom 264, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL5.pdb.gz Skipped atom 266, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL5.pdb.gz Skipped atom 268, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL5.pdb.gz Skipped atom 530, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL5.pdb.gz Skipped atom 532, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL5.pdb.gz Skipped atom 534, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL5.pdb.gz Skipped atom 536, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL5.pdb.gz Skipped atom 642, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL5.pdb.gz Skipped atom 644, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL5.pdb.gz Skipped atom 646, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL5.pdb.gz Skipped atom 648, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL5.pdb.gz # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # naming current conformation forecast-s_AL5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1757773393.pdb -s /var/tmp/to_scwrl_1757773393.seq -o /var/tmp/from_scwrl_1757773393.pdb > /var/tmp/scwrl_1757773393.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1757773393.pdb # conformation set from SCWRL output # naming current conformation forecast-s_AL5-scwrl # ReadConformPDB reading from PDB file servers/gtg_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # naming current conformation gtg_AL4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_653817073.pdb -s /var/tmp/to_scwrl_653817073.seq -o /var/tmp/from_scwrl_653817073.pdb > /var/tmp/scwrl_653817073.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_653817073.pdb # conformation set from SCWRL output # naming current conformation gtg_AL4-scwrl # ReadConformPDB reading from PDB file servers/gtg_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # naming current conformation gtg_AL5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1707402456.pdb -s /var/tmp/to_scwrl_1707402456.seq -o /var/tmp/from_scwrl_1707402456.pdb > /var/tmp/scwrl_1707402456.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1707402456.pdb # conformation set from SCWRL output # naming current conformation gtg_AL5-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS1.pdb.gz looking for model 1 # Found a chain break before 204 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_298242887.pdb -s /var/tmp/to_scwrl_298242887.seq -o /var/tmp/from_scwrl_298242887.pdb > /var/tmp/scwrl_298242887.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_298242887.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 172 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1974891997.pdb -s /var/tmp/to_scwrl_1974891997.seq -o /var/tmp/from_scwrl_1974891997.pdb > /var/tmp/scwrl_1974891997.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1974891997.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 187 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_637271908.pdb -s /var/tmp/to_scwrl_637271908.seq -o /var/tmp/from_scwrl_637271908.pdb > /var/tmp/scwrl_637271908.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_637271908.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 191 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_2101519284.pdb -s /var/tmp/to_scwrl_2101519284.seq -o /var/tmp/from_scwrl_2101519284.pdb > /var/tmp/scwrl_2101519284.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2101519284.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 205 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1156060615.pdb -s /var/tmp/to_scwrl_1156060615.seq -o /var/tmp/from_scwrl_1156060615.pdb > /var/tmp/scwrl_1156060615.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1156060615.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: (T0324)T104.O and (T0324)S105.N only 0.000 apart, marking (T0324)S105.N as missing # WARNING: incomplete conformation T0324 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 ; scwrl3 -i /var/tmp/to_scwrl_1875283134.pdb -s /var/tmp/to_scwrl_1875283134.seq -o /var/tmp/from_scwrl_1875283134.pdb > /var/tmp/scwrl_1875283134.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1875283134.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS1-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS2.pdb.gz looking for model 1 # Found a chain break before 205 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_706129483.pdb -s /var/tmp/to_scwrl_706129483.seq -o /var/tmp/from_scwrl_706129483.pdb > /var/tmp/scwrl_706129483.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_706129483.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS2-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS3.pdb.gz looking for model 1 WARNING: atoms too close: (T0324)S129.O and (T0324)A130.N only 0.000 apart, marking (T0324)A130.N as missing # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_611117388.pdb -s /var/tmp/to_scwrl_611117388.seq -o /var/tmp/from_scwrl_611117388.pdb > /var/tmp/scwrl_611117388.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_611117388.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: (T0324)A180.O and (T0324)V181.N only 0.000 apart, marking (T0324)V181.N as missing # WARNING: incomplete conformation T0324 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 ; scwrl3 -i /var/tmp/to_scwrl_1104674143.pdb -s /var/tmp/to_scwrl_1104674143.seq -o /var/tmp/from_scwrl_1104674143.pdb > /var/tmp/scwrl_1104674143.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1104674143.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: (T0324)T133.O and (T0324)P134.N only 0.000 apart, marking (T0324)P134.N as missing # WARNING: incomplete conformation T0324 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 ; scwrl3 -i /var/tmp/to_scwrl_611412346.pdb -s /var/tmp/to_scwrl_611412346.seq -o /var/tmp/from_scwrl_611412346.pdb > /var/tmp/scwrl_611412346.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_611412346.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 191 # copying to AlignedFragments data structure # naming current conformation karypis.srv_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_252262066.pdb -s /var/tmp/to_scwrl_252262066.seq -o /var/tmp/from_scwrl_252262066.pdb > /var/tmp/scwrl_252262066.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_252262066.pdb # conformation set from SCWRL output # naming current conformation karypis.srv_TS1-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1155951147.pdb -s /var/tmp/to_scwrl_1155951147.seq -o /var/tmp/from_scwrl_1155951147.pdb > /var/tmp/scwrl_1155951147.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1155951147.pdb # conformation set from SCWRL output # naming current conformation karypis.srv_TS2-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0324 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 ; scwrl3 -i /var/tmp/to_scwrl_1843019851.pdb -s /var/tmp/to_scwrl_1843019851.seq -o /var/tmp/from_scwrl_1843019851.pdb > /var/tmp/scwrl_1843019851.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1843019851.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 # Found a chain break before 191 # copying to AlignedFragments data structure # naming current conformation karypis.srv_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_775976225.pdb -s /var/tmp/to_scwrl_775976225.seq -o /var/tmp/from_scwrl_775976225.pdb > /var/tmp/scwrl_775976225.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_775976225.pdb # conformation set from SCWRL output # naming current conformation karypis.srv_TS4-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS1.pdb.gz looking for model 1 # Found a chain break before 181 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_919003982.pdb -s /var/tmp/to_scwrl_919003982.seq -o /var/tmp/from_scwrl_919003982.pdb > /var/tmp/scwrl_919003982.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_919003982.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS1-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS2.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_598652440.pdb -s /var/tmp/to_scwrl_598652440.seq -o /var/tmp/from_scwrl_598652440.pdb > /var/tmp/scwrl_598652440.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_598652440.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 175 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_585284928.pdb -s /var/tmp/to_scwrl_585284928.seq -o /var/tmp/from_scwrl_585284928.pdb > /var/tmp/scwrl_585284928.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_585284928.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 # Found a chain break before 190 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1625214100.pdb -s /var/tmp/to_scwrl_1625214100.seq -o /var/tmp/from_scwrl_1625214100.pdb > /var/tmp/scwrl_1625214100.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1625214100.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 194 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1729536480.pdb -s /var/tmp/to_scwrl_1729536480.seq -o /var/tmp/from_scwrl_1729536480.pdb > /var/tmp/scwrl_1729536480.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1729536480.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 T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation mGen-3D_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1904795365.pdb -s /var/tmp/to_scwrl_1904795365.seq -o /var/tmp/from_scwrl_1904795365.pdb > /var/tmp/scwrl_1904795365.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1904795365.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 T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation nFOLD_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1904289210.pdb -s /var/tmp/to_scwrl_1904289210.seq -o /var/tmp/from_scwrl_1904289210.pdb > /var/tmp/scwrl_1904289210.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1904289210.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 T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation nFOLD_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1861681524.pdb -s /var/tmp/to_scwrl_1861681524.seq -o /var/tmp/from_scwrl_1861681524.pdb > /var/tmp/scwrl_1861681524.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1861681524.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 T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation nFOLD_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_2008752805.pdb -s /var/tmp/to_scwrl_2008752805.seq -o /var/tmp/from_scwrl_2008752805.pdb > /var/tmp/scwrl_2008752805.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2008752805.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 T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation nFOLD_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_423875266.pdb -s /var/tmp/to_scwrl_423875266.seq -o /var/tmp/from_scwrl_423875266.pdb > /var/tmp/scwrl_423875266.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_423875266.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 T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation nFOLD_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_734351732.pdb -s /var/tmp/to_scwrl_734351732.seq -o /var/tmp/from_scwrl_734351732.pdb > /var/tmp/scwrl_734351732.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_734351732.pdb # conformation set from SCWRL output # naming current conformation nFOLD_TS5-scwrl # ReadConformPDB reading from PDB file servers/panther2_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # naming current conformation panther2_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_326742889.pdb -s /var/tmp/to_scwrl_326742889.seq -o /var/tmp/from_scwrl_326742889.pdb > /var/tmp/scwrl_326742889.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_326742889.pdb # conformation set from SCWRL output # naming current conformation panther2_TS1-scwrl # ReadConformPDB reading from PDB file servers/shub_TS1.pdb.gz looking for model 1 # Found a chain break before 203 # copying to AlignedFragments data structure # naming current conformation shub_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_657536808.pdb -s /var/tmp/to_scwrl_657536808.seq -o /var/tmp/from_scwrl_657536808.pdb > /var/tmp/scwrl_657536808.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_657536808.pdb # conformation set from SCWRL output # naming current conformation shub_TS1-scwrl # command:CPU_time= 37.6763 sec, elapsed time= 420.844 sec) # command:# Prefix for output files set to decoys/ # command:# Will now start reporting costs to decoys/evaluate_1.rdb # command:# CostConform Warning: Couldn't open file decoys//projects/compbio/experiments/undertaker/spots/near-backbone-center.spot or decoys//projects/compbio/experiments/undertaker/spots/near-backbone-center.spot.gz for input Trying /projects/compbio/experiments/undertaker/spots/near-backbone-center.spot # Reading spots from /projects/compbio/experiments/undertaker/spots/near-backbone-center.spot shub_TS1-scwrl costs 0 real_cost = -148.397 shub_TS1 costs 0 real_cost = -145.744 panther2_TS1-scwrl costs 0 real_cost = 36.7814 panther2_TS1 costs 0 real_cost = -34.193 nFOLD_TS5-scwrl costs 0 real_cost = -114.089 nFOLD_TS5 costs 0 real_cost = -1.23645 nFOLD_TS4-scwrl costs 0 real_cost = -177.53 nFOLD_TS4 costs 0 real_cost = -70.4421 nFOLD_TS3-scwrl costs 0 real_cost = -57.895 nFOLD_TS3 costs 0 real_cost = -57.8807 nFOLD_TS2-scwrl costs 0 real_cost = 5.5222 nFOLD_TS2 costs 0 real_cost = 5.52584 nFOLD_TS1-scwrl costs 0 real_cost = -135.137 nFOLD_TS1 costs 0 real_cost = -29.435 mGen-3D_TS1-scwrl costs 0 real_cost = -57.103 mGen-3D_TS1 costs 0 real_cost = -57.0866 keasar-server_TS5-scwrl costs 0 real_cost = -175.222 keasar-server_TS5 costs 0 real_cost = -176.011 keasar-server_TS4-scwrl costs 0 real_cost = -176.536 keasar-server_TS4 costs 0 real_cost = -164.572 keasar-server_TS3-scwrl costs 0 real_cost = -162.709 keasar-server_TS3 costs 0 real_cost = -147.013 keasar-server_TS2-scwrl costs 0 real_cost = -144.93 keasar-server_TS2 costs 0 real_cost = -133.69 keasar-server_TS1-scwrl costs 0 real_cost = -149.76 keasar-server_TS1 costs 0 real_cost = -145.849 karypis.srv_TS4-scwrl costs 0 real_cost = -169.758 karypis.srv_TS4 costs 0 real_cost = -170.502 karypis.srv_TS3-scwrl costs 0 real_cost = -160.866 karypis.srv_TS3 costs 0 real_cost = -161.859 karypis.srv_TS2-scwrl costs 0 real_cost = -159.017 karypis.srv_TS2 costs 0 real_cost = -157.391 karypis.srv_TS1-scwrl costs 0 real_cost = -92.1856 karypis.srv_TS1 costs 0 real_cost = -92.1856 karypis.srv.4_TS5-scwrl costs 0 real_cost = 307.513 karypis.srv.4_TS5 costs 0 real_cost = 307.522 karypis.srv.4_TS4-scwrl costs 0 real_cost = 302.968 karypis.srv.4_TS4 costs 0 real_cost = 302.969 karypis.srv.4_TS3-scwrl costs 0 real_cost = 277.673 karypis.srv.4_TS3 costs 0 real_cost = 277.67 karypis.srv.4_TS2-scwrl costs 0 real_cost = 302.816 karypis.srv.4_TS2 costs 0 real_cost = 302.816 karypis.srv.4_TS1-scwrl costs 0 real_cost = 241.653 karypis.srv.4_TS1 costs 0 real_cost = 243.477 karypis.srv.2_TS5-scwrl costs 0 real_cost = -169.532 karypis.srv.2_TS5 costs 0 real_cost = -170.037 karypis.srv.2_TS4-scwrl costs 0 real_cost = -88.4319 karypis.srv.2_TS4 costs 0 real_cost = -88.2668 karypis.srv.2_TS3-scwrl costs 0 real_cost = -163.992 karypis.srv.2_TS3 costs 0 real_cost = -163.992 karypis.srv.2_TS2-scwrl costs 0 real_cost = -169.406 karypis.srv.2_TS2 costs 0 real_cost = -169.152 karypis.srv.2_TS1-scwrl costs 0 real_cost = -165.506 karypis.srv.2_TS1 costs 0 real_cost = -165.506 gtg_AL5-scwrl costs 0 real_cost = 84.0304 gtg_AL5 costs 0 real_cost = 217.775 gtg_AL4-scwrl costs 0 real_cost = -73.3292 gtg_AL4 costs 0 real_cost = 55.2036 forecast-s_AL5-scwrl costs 0 real_cost = 230.779 forecast-s_AL5 costs 0 real_cost = 344.435 forecast-s_AL4-scwrl costs 0 real_cost = 214.315 forecast-s_AL4 costs 0 real_cost = 322.635 forecast-s_AL3-scwrl costs 0 real_cost = 61.5657 forecast-s_AL3 costs 0 real_cost = 166.537 forecast-s_AL2-scwrl costs 0 real_cost = 94.2471 forecast-s_AL2 costs 0 real_cost = 197.878 forecast-s_AL1-scwrl costs 0 real_cost = 156 forecast-s_AL1 costs 0 real_cost = 303.116 beautshotbase_TS1-scwrl costs 0 real_cost = -176.734 beautshotbase_TS1 costs 0 real_cost = -174.533 beautshot_TS1-scwrl costs 0 real_cost = -184.648 beautshot_TS1 costs 0 real_cost = -180.708 Zhang-Server_TS5-scwrl costs 0 real_cost = -117.244 Zhang-Server_TS5 costs 0 real_cost = -104.523 Zhang-Server_TS4-scwrl costs 0 real_cost = -122.126 Zhang-Server_TS4 costs 0 real_cost = -115.607 Zhang-Server_TS3-scwrl costs 0 real_cost = -108.641 Zhang-Server_TS3 costs 0 real_cost = -97.0286 Zhang-Server_TS2-scwrl costs 0 real_cost = -219.734 Zhang-Server_TS2 costs 0 real_cost = -214.779 Zhang-Server_TS1-scwrl costs 0 real_cost = -195.027 Zhang-Server_TS1 costs 0 real_cost = -205.07 UNI-EID_sfst_AL5-scwrl costs 0 real_cost = -177.341 UNI-EID_sfst_AL5 costs 0 real_cost = -33.2926 UNI-EID_sfst_AL4-scwrl costs 0 real_cost = -26.5462 UNI-EID_sfst_AL4 costs 0 real_cost = 100.894 UNI-EID_sfst_AL3-scwrl costs 0 real_cost = -121.127 UNI-EID_sfst_AL3 costs 0 real_cost = 20.3864 UNI-EID_sfst_AL2-scwrl costs 0 real_cost = -155.2 UNI-EID_sfst_AL2 costs 0 real_cost = -14.1471 UNI-EID_sfst_AL1-scwrl costs 0 real_cost = -183.585 UNI-EID_sfst_AL1 costs 0 real_cost = -39.3404 UNI-EID_expm_TS1-scwrl costs 0 real_cost = -69.3639 UNI-EID_expm_TS1 costs 0 real_cost = -69.346 UNI-EID_bnmx_TS5-scwrl costs 0 real_cost = -28.8579 UNI-EID_bnmx_TS5 costs 0 real_cost = 95.274 UNI-EID_bnmx_TS4-scwrl costs 0 real_cost = -77.1522 UNI-EID_bnmx_TS4 costs 0 real_cost = 52.5141 UNI-EID_bnmx_TS3-scwrl costs 0 real_cost = -121.127 UNI-EID_bnmx_TS3 costs 0 real_cost = 20.3864 UNI-EID_bnmx_TS2-scwrl costs 0 real_cost = -159.317 UNI-EID_bnmx_TS2 costs 0 real_cost = -13.6595 UNI-EID_bnmx_TS1-scwrl costs 0 real_cost = -178.754 UNI-EID_bnmx_TS1 costs 0 real_cost = -33.7208 SPARKS2_TS5-scwrl costs 0 real_cost = -131.271 SPARKS2_TS5 costs 0 real_cost = -128.161 SPARKS2_TS4-scwrl costs 0 real_cost = -118.902 SPARKS2_TS4 costs 0 real_cost = -118.839 SPARKS2_TS3-scwrl costs 0 real_cost = -67.5012 SPARKS2_TS3 costs 0 real_cost = -67.6027 SPARKS2_TS2-scwrl costs 0 real_cost = -108.364 SPARKS2_TS2 costs 0 real_cost = -99.7412 SPARKS2_TS1-scwrl costs 0 real_cost = -194.254 SPARKS2_TS1 costs 0 real_cost = -190.174 SP4_TS5-scwrl costs 0 real_cost = -125.651 SP4_TS5 costs 0 real_cost = -122.114 SP4_TS4-scwrl costs 0 real_cost = -117.086 SP4_TS4 costs 0 real_cost = -115.135 SP4_TS3-scwrl costs 0 real_cost = -30.4122 SP4_TS3 costs 0 real_cost = -21.632 SP4_TS2-scwrl costs 0 real_cost = -121.752 SP4_TS2 costs 0 real_cost = -125.071 SP4_TS1-scwrl costs 0 real_cost = -194.233 SP4_TS1 costs 0 real_cost = -186.134 SP3_TS5-scwrl costs 0 real_cost = -70.1279 SP3_TS5 costs 0 real_cost = -61.3489 SP3_TS4-scwrl costs 0 real_cost = -117.086 SP3_TS4 costs 0 real_cost = -115.135 SP3_TS3-scwrl costs 0 real_cost = -17.7441 SP3_TS3 costs 0 real_cost = -12.093 SP3_TS2-scwrl costs 0 real_cost = -194.233 SP3_TS2 costs 0 real_cost = -186.134 SP3_TS1-scwrl costs 0 real_cost = -108.364 SP3_TS1 costs 0 real_cost = -99.7412 SAM_T06_server_TS5-scwrl costs 0 real_cost = -48.1049 SAM_T06_server_TS5 costs 0 real_cost = -77.5775 SAM_T06_server_TS4-scwrl costs 0 real_cost = -29.785 SAM_T06_server_TS4 costs 0 real_cost = -83.3138 SAM_T06_server_TS3-scwrl costs 0 real_cost = -77.2261 SAM_T06_server_TS3 costs 0 real_cost = -128.261 SAM_T06_server_TS2-scwrl costs 0 real_cost = -33.6278 SAM_T06_server_TS2 costs 0 real_cost = -91.3413 SAM_T06_server_TS1-scwrl costs 0 real_cost = -176.188 SAM_T06_server_TS1 costs 0 real_cost = -171.748 SAM-T99_AL5-scwrl costs 0 real_cost = -62.0921 SAM-T99_AL5 costs 0 real_cost = 85.7201 SAM-T99_AL4-scwrl costs 0 real_cost = -46.4451 SAM-T99_AL4 costs 0 real_cost = 102.145 SAM-T99_AL3-scwrl costs 0 real_cost = -126.231 SAM-T99_AL3 costs 0 real_cost = -1.76823 SAM-T99_AL2-scwrl costs 0 real_cost = -195.505 SAM-T99_AL2 costs 0 real_cost = -49.3581 SAM-T99_AL1-scwrl costs 0 real_cost = -125.268 SAM-T99_AL1 costs 0 real_cost = -1.66001 SAM-T02_AL5-scwrl costs 0 real_cost = -182.691 SAM-T02_AL5 costs 0 real_cost = -37.6777 SAM-T02_AL4-scwrl costs 0 real_cost = -150.629 SAM-T02_AL4 costs 0 real_cost = -16.7692 SAM-T02_AL3-scwrl costs 0 real_cost = -171.484 SAM-T02_AL3 costs 0 real_cost = -25.6015 SAM-T02_AL2-scwrl costs 0 real_cost = -110.047 SAM-T02_AL2 costs 0 real_cost = 24.7639 SAM-T02_AL1-scwrl costs 0 real_cost = -180.479 SAM-T02_AL1 costs 0 real_cost = -38.0741 ROKKY_TS5-scwrl costs 0 real_cost = -51.2338 ROKKY_TS5 costs 0 real_cost = -53.6614 ROKKY_TS4-scwrl costs 0 real_cost = -171.097 ROKKY_TS4 costs 0 real_cost = -166.151 ROKKY_TS3-scwrl costs 0 real_cost = -30.5073 ROKKY_TS3 costs 0 real_cost = -21.5556 ROKKY_TS2-scwrl costs 0 real_cost = -111.372 ROKKY_TS2 costs 0 real_cost = -106.756 ROKKY_TS1-scwrl costs 0 real_cost = -193.428 ROKKY_TS1 costs 0 real_cost = -197.649 ROBETTA_TS5-scwrl costs 0 real_cost = -186.159 ROBETTA_TS5 costs 0 real_cost = -183.178 ROBETTA_TS4-scwrl costs 0 real_cost = -201.782 ROBETTA_TS4 costs 0 real_cost = -200.18 ROBETTA_TS3-scwrl costs 0 real_cost = -187.556 ROBETTA_TS3 costs 0 real_cost = -188.031 ROBETTA_TS2-scwrl costs 0 real_cost = -189.696 ROBETTA_TS2 costs 0 real_cost = -185.714 ROBETTA_TS1-scwrl costs 0 real_cost = -190.599 ROBETTA_TS1 costs 0 real_cost = -184.874 RAPTOR_TS5-scwrl costs 0 real_cost = -114.379 RAPTOR_TS5 costs 0 real_cost = -104.491 RAPTOR_TS4-scwrl costs 0 real_cost = -142.696 RAPTOR_TS4 costs 0 real_cost = -133.827 RAPTOR_TS3-scwrl costs 0 real_cost = -161.301 RAPTOR_TS3 costs 0 real_cost = -151.331 RAPTOR_TS2-scwrl costs 0 real_cost = -84.7271 RAPTOR_TS2 costs 0 real_cost = -86.9246 RAPTOR_TS1-scwrl costs 0 real_cost = -192.835 RAPTOR_TS1 costs 0 real_cost = -188.053 RAPTORESS_TS5-scwrl costs 0 real_cost = -103.244 RAPTORESS_TS5 costs 0 real_cost = -97.3598 RAPTORESS_TS4-scwrl costs 0 real_cost = -111.994 RAPTORESS_TS4 costs 0 real_cost = -106.592 RAPTORESS_TS3-scwrl costs 0 real_cost = -139.559 RAPTORESS_TS3 costs 0 real_cost = -139.452 RAPTORESS_TS2-scwrl costs 0 real_cost = -80.5814 RAPTORESS_TS2 costs 0 real_cost = -74.9661 RAPTORESS_TS1-scwrl costs 0 real_cost = -185.64 RAPTORESS_TS1 costs 0 real_cost = -184.192 RAPTOR-ACE_TS5-scwrl costs 0 real_cost = -178.905 RAPTOR-ACE_TS5 costs 0 real_cost = -180.766 RAPTOR-ACE_TS4-scwrl costs 0 real_cost = -184.057 RAPTOR-ACE_TS4 costs 0 real_cost = -184.884 RAPTOR-ACE_TS3-scwrl costs 0 real_cost = -194.233 RAPTOR-ACE_TS3 costs 0 real_cost = -186.134 RAPTOR-ACE_TS2-scwrl costs 0 real_cost = -197.498 RAPTOR-ACE_TS2 costs 0 real_cost = -187.635 RAPTOR-ACE_TS1-scwrl costs 0 real_cost = -191.464 RAPTOR-ACE_TS1 costs 0 real_cost = -187.631 Pmodeller6_TS5-scwrl costs 0 real_cost = -194.303 Pmodeller6_TS5 costs 0 real_cost = -194.191 Pmodeller6_TS4-scwrl costs 0 real_cost = -190.599 Pmodeller6_TS4 costs 0 real_cost = -184.874 Pmodeller6_TS3-scwrl costs 0 real_cost = -187.556 Pmodeller6_TS3 costs 0 real_cost = -188.031 Pmodeller6_TS2-scwrl costs 0 real_cost = -201.782 Pmodeller6_TS2 costs 0 real_cost = -200.18 Pmodeller6_TS1-scwrl costs 0 real_cost = -143.781 Pmodeller6_TS1 costs 0 real_cost = -142.843 Phyre-2_TS5-scwrl costs 0 real_cost = -137.628 Phyre-2_TS5 costs 0 real_cost = -134.742 Phyre-2_TS4-scwrl costs 0 real_cost = -143.503 Phyre-2_TS4 costs 0 real_cost = -141 Phyre-2_TS3-scwrl costs 0 real_cost = -140.234 Phyre-2_TS3 costs 0 real_cost = -138.038 Phyre-2_TS2-scwrl costs 0 real_cost = -126.951 Phyre-2_TS2 costs 0 real_cost = -124.493 Phyre-2_TS1-scwrl costs 0 real_cost = -137.96 Phyre-2_TS1 costs 0 real_cost = -135.49 Phyre-1_TS1-scwrl costs 0 real_cost = -143.077 Phyre-1_TS1 costs 0 real_cost = -141.384 Pcons6_TS5-scwrl costs 0 real_cost = -125.115 Pcons6_TS5 costs 0 real_cost = -125.115 Pcons6_TS4-scwrl costs 0 real_cost = -141.367 Pcons6_TS4 costs 0 real_cost = -145.593 Pcons6_TS3-scwrl costs 0 real_cost = -194.303 Pcons6_TS3 costs 0 real_cost = -194.191 Pcons6_TS2-scwrl costs 0 real_cost = -175.324 Pcons6_TS2 costs 0 real_cost = -175.324 Pcons6_TS1-scwrl costs 0 real_cost = -157.354 Pcons6_TS1 costs 0 real_cost = -155.469 PROTINFO_TS5-scwrl costs 0 real_cost = -186.08 PROTINFO_TS5 costs 0 real_cost = -193.467 PROTINFO_TS4-scwrl costs 0 real_cost = -177.84 PROTINFO_TS4 costs 0 real_cost = -182.54 PROTINFO_TS3-scwrl costs 0 real_cost = -137.637 PROTINFO_TS3 costs 0 real_cost = -140.29 PROTINFO_TS2-scwrl costs 0 real_cost = -162.428 PROTINFO_TS2 costs 0 real_cost = -165.556 PROTINFO_TS1-scwrl costs 0 real_cost = -129.552 PROTINFO_TS1 costs 0 real_cost = -134.256 PROTINFO-AB_TS5-scwrl costs 0 real_cost = -148.531 PROTINFO-AB_TS5 costs 0 real_cost = -167.424 PROTINFO-AB_TS4-scwrl costs 0 real_cost = -148.62 PROTINFO-AB_TS4 costs 0 real_cost = -154.101 PROTINFO-AB_TS3-scwrl costs 0 real_cost = -162.491 PROTINFO-AB_TS3 costs 0 real_cost = -165.912 PROTINFO-AB_TS2-scwrl costs 0 real_cost = -161.563 PROTINFO-AB_TS2 costs 0 real_cost = -167.149 PROTINFO-AB_TS1-scwrl costs 0 real_cost = -161.279 PROTINFO-AB_TS1 costs 0 real_cost = -166.088 NN_PUT_lab_TS1-scwrl costs 0 real_cost = 28.8997 NN_PUT_lab_TS1 costs 0 real_cost = 40.5312 MetaTasser_TS5-scwrl costs 0 real_cost = -140.043 MetaTasser_TS5 costs 0 real_cost = -138.903 MetaTasser_TS4-scwrl costs 0 real_cost = -90.1687 MetaTasser_TS4 costs 0 real_cost = -98.2894 MetaTasser_TS3-scwrl costs 0 real_cost = -58.4344 MetaTasser_TS3 costs 0 real_cost = -60.8932 MetaTasser_TS2-scwrl costs 0 real_cost = -33.8861 MetaTasser_TS2 costs 0 real_cost = -44.531 MetaTasser_TS1-scwrl costs 0 real_cost = -182.489 MetaTasser_TS1 costs 0 real_cost = -185.018 Ma-OPUS-server_TS5-scwrl costs 0 real_cost = -197.462 Ma-OPUS-server_TS5 costs 0 real_cost = -195.811 Ma-OPUS-server_TS4-scwrl costs 0 real_cost = -164.529 Ma-OPUS-server_TS4 costs 0 real_cost = -171.895 Ma-OPUS-server_TS3-scwrl costs 0 real_cost = -191.023 Ma-OPUS-server_TS3 costs 0 real_cost = -183.964 Ma-OPUS-server_TS2-scwrl costs 0 real_cost = -172.602 Ma-OPUS-server_TS2 costs 0 real_cost = -166.919 Ma-OPUS-server_TS1-scwrl costs 0 real_cost = -108.367 Ma-OPUS-server_TS1 costs 0 real_cost = -105.759 Ma-OPUS-server2_TS5-scwrl costs 0 real_cost = -192.536 Ma-OPUS-server2_TS5 costs 0 real_cost = -185.704 Ma-OPUS-server2_TS4-scwrl costs 0 real_cost = -191.023 Ma-OPUS-server2_TS4 costs 0 real_cost = -183.964 Ma-OPUS-server2_TS3-scwrl costs 0 real_cost = -172.957 Ma-OPUS-server2_TS3 costs 0 real_cost = -171.314 Ma-OPUS-server2_TS2-scwrl costs 0 real_cost = -172.602 Ma-OPUS-server2_TS2 costs 0 real_cost = -166.919 Ma-OPUS-server2_TS1-scwrl costs 0 real_cost = -139.03 Ma-OPUS-server2_TS1 costs 0 real_cost = -136.242 LOOPP_TS5-scwrl costs 0 real_cost = -52.9909 LOOPP_TS5 costs 0 real_cost = -39.8564 LOOPP_TS4-scwrl costs 0 real_cost = 19.1717 LOOPP_TS4 costs 0 real_cost = 14.7443 LOOPP_TS3-scwrl costs 0 real_cost = -33.8601 LOOPP_TS3 costs 0 real_cost = -33.1476 LOOPP_TS2-scwrl costs 0 real_cost = -41.7923 LOOPP_TS2 costs 0 real_cost = -34.5438 LOOPP_TS1-scwrl costs 0 real_cost = 28.8997 LOOPP_TS1 costs 0 real_cost = 40.5312 Huber-Torda-Server_TS5-scwrl costs 0 real_cost = -13.3785 Huber-Torda-Server_TS5 costs 0 real_cost = 86.3942 Huber-Torda-Server_TS4-scwrl costs 0 real_cost = 9.79602 Huber-Torda-Server_TS4 costs 0 real_cost = 86.776 Huber-Torda-Server_TS3-scwrl costs 0 real_cost = -158.486 Huber-Torda-Server_TS3 costs 0 real_cost = -51.5965 Huber-Torda-Server_TS2-scwrl costs 0 real_cost = -8.21613 Huber-Torda-Server_TS2 costs 0 real_cost = 75.3314 Huber-Torda-Server_TS1-scwrl costs 0 real_cost = -148.338 Huber-Torda-Server_TS1 costs 0 real_cost = -47.5737 HHpred3_TS1-scwrl costs 0 real_cost = -103.541 HHpred3_TS1 costs 0 real_cost = -101.407 HHpred2_TS1-scwrl costs 0 real_cost = -132.953 HHpred2_TS1 costs 0 real_cost = -135.843 HHpred1_TS1-scwrl costs 0 real_cost = -176.74 HHpred1_TS1 costs 0 real_cost = -174.753 GeneSilicoMetaServer_TS5-scwrl costs 0 real_cost = -124.485 GeneSilicoMetaServer_TS5 costs 0 real_cost = -120.136 GeneSilicoMetaServer_TS4-scwrl costs 0 real_cost = -185.856 GeneSilicoMetaServer_TS4 costs 0 real_cost = -183.714 GeneSilicoMetaServer_TS3-scwrl costs 0 real_cost = -145.798 GeneSilicoMetaServer_TS3 costs 0 real_cost = -145.282 GeneSilicoMetaServer_TS2-scwrl costs 0 real_cost = -185.24 GeneSilicoMetaServer_TS2 costs 0 real_cost = -178.801 GeneSilicoMetaServer_TS1-scwrl costs 0 real_cost = -174.595 GeneSilicoMetaServer_TS1 costs 0 real_cost = -163.48 FUNCTION_TS5-scwrl costs 0 real_cost = -141.972 FUNCTION_TS5 costs 0 real_cost = -147.16 FUNCTION_TS4-scwrl costs 0 real_cost = -114.354 FUNCTION_TS4 costs 0 real_cost = -105.276 FUNCTION_TS3-scwrl costs 0 real_cost = -193.964 FUNCTION_TS3 costs 0 real_cost = -177.624 FUNCTION_TS2-scwrl costs 0 real_cost = -101.402 FUNCTION_TS2 costs 0 real_cost = -101.986 FUNCTION_TS1-scwrl costs 0 real_cost = -167.709 FUNCTION_TS1 costs 0 real_cost = -159.599 FUGUE_AL5-scwrl costs 0 real_cost = 6.88849 FUGUE_AL5 costs 0 real_cost = 139.531 FUGUE_AL4-scwrl costs 0 real_cost = -6.99916 FUGUE_AL4 costs 0 real_cost = 154.914 FUGUE_AL3-scwrl costs 0 real_cost = 65.6243 FUGUE_AL3 costs 0 real_cost = 177.106 FUGUE_AL2-scwrl costs 0 real_cost = -23.0743 FUGUE_AL2 costs 0 real_cost = 102.54 FUGUE_AL1-scwrl costs 0 real_cost = -153.705 FUGUE_AL1 costs 0 real_cost = -16.1856 FUGMOD_TS5-scwrl costs 0 real_cost = 8.37127 FUGMOD_TS5 costs 0 real_cost = 13.0278 FUGMOD_TS4-scwrl costs 0 real_cost = -10.5632 FUGMOD_TS4 costs 0 real_cost = 0.8566 FUGMOD_TS3-scwrl costs 0 real_cost = 4.05965 FUGMOD_TS3 costs 0 real_cost = 2.83005 FUGMOD_TS2-scwrl costs 0 real_cost = -59.8485 FUGMOD_TS2 costs 0 real_cost = -56.5978 FUGMOD_TS1-scwrl costs 0 real_cost = -204.69 FUGMOD_TS1 costs 0 real_cost = -202.202 FPSOLVER-SERVER_TS5-scwrl costs 0 real_cost = 310.984 FPSOLVER-SERVER_TS5 costs 0 real_cost = 313.339 FPSOLVER-SERVER_TS4-scwrl costs 0 real_cost = 314.826 FPSOLVER-SERVER_TS4 costs 0 real_cost = 316.751 FPSOLVER-SERVER_TS3-scwrl costs 0 real_cost = 318.67 FPSOLVER-SERVER_TS3 costs 0 real_cost = 319.88 FPSOLVER-SERVER_TS2-scwrl costs 0 real_cost = 319.777 FPSOLVER-SERVER_TS2 costs 0 real_cost = 321.8 FPSOLVER-SERVER_TS1-scwrl costs 0 real_cost = 303.016 FPSOLVER-SERVER_TS1 costs 0 real_cost = 311.786 FORTE2_AL5-scwrl costs 0 real_cost = -94.001 FORTE2_AL5 costs 0 real_cost = 36.4053 FORTE2_AL4-scwrl costs 0 real_cost = -119.95 FORTE2_AL4 costs 0 real_cost = 18.6284 FORTE2_AL3-scwrl costs 0 real_cost = -163.793 FORTE2_AL3 costs 0 real_cost = -21.5495 FORTE2_AL2-scwrl costs 0 real_cost = -19.325 FORTE2_AL2 costs 0 real_cost = -19.325 FORTE2_AL1-scwrl costs 0 real_cost = -53.7783 FORTE2_AL1 costs 0 real_cost = 88.7513 FORTE1_AL5-scwrl costs 0 real_cost = -119.95 FORTE1_AL5 costs 0 real_cost = 18.6284 FORTE1_AL4-scwrl costs 0 real_cost = 23.3733 FORTE1_AL4 costs 0 real_cost = 176.198 FORTE1_AL3-scwrl costs 0 real_cost = -17.8936 FORTE1_AL3 costs 0 real_cost = -17.8936 FORTE1_AL2-scwrl costs 0 real_cost = -162.209 FORTE1_AL2 costs 0 real_cost = -20.8029 FORTE1_AL1-scwrl costs 0 real_cost = -53.7783 FORTE1_AL1 costs 0 real_cost = 88.7513 FOLDpro_TS5-scwrl costs 0 real_cost = 194.624 FOLDpro_TS5 costs 0 real_cost = 198.98 FOLDpro_TS4-scwrl costs 0 real_cost = 202.678 FOLDpro_TS4 costs 0 real_cost = 201.629 FOLDpro_TS3-scwrl costs 0 real_cost = 199.653 FOLDpro_TS3 costs 0 real_cost = 205.941 FOLDpro_TS2-scwrl costs 0 real_cost = 196.931 FOLDpro_TS2 costs 0 real_cost = 203.182 FOLDpro_TS1-scwrl costs 0 real_cost = -244.359 FOLDpro_TS1 costs 0 real_cost = -240.276 FAMS_TS5-scwrl costs 0 real_cost = -144.126 FAMS_TS5 costs 0 real_cost = -135.87 FAMS_TS4-scwrl costs 0 real_cost = -143.789 FAMS_TS4 costs 0 real_cost = -135.978 FAMS_TS3-scwrl costs 0 real_cost = -143.789 FAMS_TS3 costs 0 real_cost = -135.978 FAMS_TS2-scwrl costs 0 real_cost = -173.647 FAMS_TS2 costs 0 real_cost = -174.113 FAMS_TS1-scwrl costs 0 real_cost = -164.173 FAMS_TS1 costs 0 real_cost = -149.996 FAMSD_TS5-scwrl costs 0 real_cost = -144.126 FAMSD_TS5 costs 0 real_cost = -135.87 FAMSD_TS4-scwrl costs 0 real_cost = -184.033 FAMSD_TS4 costs 0 real_cost = -181.27 FAMSD_TS3-scwrl costs 0 real_cost = -188.586 FAMSD_TS3 costs 0 real_cost = -181.294 FAMSD_TS2-scwrl costs 0 real_cost = -186.289 FAMSD_TS2 costs 0 real_cost = -183.083 FAMSD_TS1-scwrl costs 0 real_cost = -143.789 FAMSD_TS1 costs 0 real_cost = -135.978 Distill_TS5-scwrl costs 0 real_cost = 390.887 Distill_TS4-scwrl costs 0 real_cost = 369.406 Distill_TS3-scwrl costs 0 real_cost = 384.842 Distill_TS2-scwrl costs 0 real_cost = 368.206 Distill_TS1-scwrl costs 0 real_cost = 361.21 CaspIta-FOX_TS5-scwrl costs 0 real_cost = 8.63423 CaspIta-FOX_TS5 costs 0 real_cost = 0.519375 CaspIta-FOX_TS4-scwrl costs 0 real_cost = -169.16 CaspIta-FOX_TS4 costs 0 real_cost = -164.24 CaspIta-FOX_TS3-scwrl costs 0 real_cost = 37.7751 CaspIta-FOX_TS3 costs 0 real_cost = 27.8841 CaspIta-FOX_TS2-scwrl costs 0 real_cost = -67.9948 CaspIta-FOX_TS2 costs 0 real_cost = -76.8601 CaspIta-FOX_TS1-scwrl costs 0 real_cost = -4.32544 CaspIta-FOX_TS1 costs 0 real_cost = -1.80138 CPHmodels_TS1-scwrl costs 0 real_cost = 15.3947 CPHmodels_TS1 costs 0 real_cost = 18.6098 CIRCLE_TS5-scwrl costs 0 real_cost = -112.179 CIRCLE_TS5 costs 0 real_cost = -109.048 CIRCLE_TS4-scwrl costs 0 real_cost = -143.789 CIRCLE_TS4 costs 0 real_cost = -135.978 CIRCLE_TS3-scwrl costs 0 real_cost = -144.126 CIRCLE_TS3 costs 0 real_cost = -135.87 CIRCLE_TS2-scwrl costs 0 real_cost = -173.647 CIRCLE_TS2 costs 0 real_cost = -174.113 CIRCLE_TS1-scwrl costs 0 real_cost = -175.7 CIRCLE_TS1 costs 0 real_cost = -174.488 Bilab-ENABLE_TS5-scwrl costs 0 real_cost = -76.7407 Bilab-ENABLE_TS5 costs 0 real_cost = -76.7407 Bilab-ENABLE_TS4-scwrl costs 0 real_cost = -80.282 Bilab-ENABLE_TS4 costs 0 real_cost = -80.282 Bilab-ENABLE_TS3-scwrl costs 0 real_cost = -185.897 Bilab-ENABLE_TS3 costs 0 real_cost = -185.897 Bilab-ENABLE_TS2-scwrl costs 0 real_cost = -197.492 Bilab-ENABLE_TS2 costs 0 real_cost = -197.492 Bilab-ENABLE_TS1-scwrl costs 0 real_cost = -195.502 Bilab-ENABLE_TS1 costs 0 real_cost = -195.502 BayesHH_TS1-scwrl costs 0 real_cost = -140.819 BayesHH_TS1 costs 0 real_cost = -137.356 ABIpro_TS5-scwrl costs 0 real_cost = 256.813 ABIpro_TS5 costs 0 real_cost = 256.813 ABIpro_TS4-scwrl costs 0 real_cost = 277.48 ABIpro_TS4 costs 0 real_cost = 277.477 ABIpro_TS3-scwrl costs 0 real_cost = 218.995 ABIpro_TS3 costs 0 real_cost = 219.033 ABIpro_TS2-scwrl costs 0 real_cost = 245.268 ABIpro_TS2 costs 0 real_cost = 245.268 ABIpro_TS1-scwrl costs 0 real_cost = 249.248 ABIpro_TS1 costs 0 real_cost = 248.88 3Dpro_TS5-scwrl costs 0 real_cost = 246.36 3Dpro_TS5 costs 0 real_cost = 251.366 3Dpro_TS4-scwrl costs 0 real_cost = 215.346 3Dpro_TS4 costs 0 real_cost = 210.669 3Dpro_TS3-scwrl costs 0 real_cost = 224.786 3Dpro_TS3 costs 0 real_cost = 226.964 3Dpro_TS2-scwrl costs 0 real_cost = 199.409 3Dpro_TS2 costs 0 real_cost = 200.214 3Dpro_TS1-scwrl costs 0 real_cost = -236.457 3Dpro_TS1 costs 0 real_cost = -239.771 3D-JIGSAW_TS5-scwrl costs 0 real_cost = -148.834 3D-JIGSAW_TS5 costs 0 real_cost = -148.834 3D-JIGSAW_TS4-scwrl costs 0 real_cost = -149.046 3D-JIGSAW_TS4 costs 0 real_cost = -146.872 3D-JIGSAW_TS3-scwrl costs 0 real_cost = 47.6218 3D-JIGSAW_TS3 costs 0 real_cost = 36.5692 3D-JIGSAW_TS2-scwrl costs 0 real_cost = -128.63 3D-JIGSAW_TS2 costs 0 real_cost = -127.834 3D-JIGSAW_TS1-scwrl costs 0 real_cost = -27.2479 3D-JIGSAW_TS1 costs 0 real_cost = -22.2063 3D-JIGSAW_RECOM_TS5-scwrl costs 0 real_cost = -136.489 3D-JIGSAW_RECOM_TS5 costs 0 real_cost = -135.496 3D-JIGSAW_RECOM_TS4-scwrl costs 0 real_cost = -164.447 3D-JIGSAW_RECOM_TS4 costs 0 real_cost = -163.612 3D-JIGSAW_RECOM_TS3-scwrl costs 0 real_cost = -148.43 3D-JIGSAW_RECOM_TS3 costs 0 real_cost = -146.001 3D-JIGSAW_RECOM_TS2-scwrl costs 0 real_cost = -122.105 3D-JIGSAW_RECOM_TS2 costs 0 real_cost = -132.001 3D-JIGSAW_RECOM_TS1-scwrl costs 0 real_cost = -135.415 3D-JIGSAW_RECOM_TS1 costs 0 real_cost = -143.081 3D-JIGSAW_POPULUS_TS5-scwrl costs 0 real_cost = -142.365 3D-JIGSAW_POPULUS_TS5 costs 0 real_cost = -142.365 3D-JIGSAW_POPULUS_TS4-scwrl costs 0 real_cost = -158.289 3D-JIGSAW_POPULUS_TS4 costs 0 real_cost = -158.289 3D-JIGSAW_POPULUS_TS3-scwrl costs 0 real_cost = -64.599 3D-JIGSAW_POPULUS_TS3 costs 0 real_cost = -64.599 3D-JIGSAW_POPULUS_TS2-scwrl costs 0 real_cost = -143.825 3D-JIGSAW_POPULUS_TS2 costs 0 real_cost = -144.701 3D-JIGSAW_POPULUS_TS1-scwrl costs 0 real_cost = -103.383 3D-JIGSAW_POPULUS_TS1 costs 0 real_cost = -114.626 T0324.try9-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -202.392 T0324.try9-opt2.pdb.gz costs 0 real_cost = -202.901 T0324.try9-opt2.gromacs0.pdb.gz costs 0 real_cost = -202.887 T0324.try9-opt1.pdb.gz costs 0 real_cost = -205.123 T0324.try9-opt1-scwrl.pdb.gz costs 0 real_cost = -205.725 T0324.try8-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -188.828 T0324.try8-opt2.pdb.gz costs 0 real_cost = -188.764 T0324.try8-opt2.gromacs0.pdb.gz costs 0 real_cost = -189.119 T0324.try8-opt1.pdb.gz costs 0 real_cost = -191.204 T0324.try8-opt1-scwrl.pdb.gz costs 0 real_cost = -196.996 T0324.try7-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -190.033 T0324.try7-opt2.pdb.gz costs 0 real_cost = -186.765 T0324.try7-opt2.gromacs0.pdb.gz costs 0 real_cost = -187.695 T0324.try7-opt1.pdb.gz costs 0 real_cost = -186.185 T0324.try7-opt1-scwrl.pdb.gz costs 0 real_cost = -186.366 T0324.try6-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -197.397 T0324.try6-opt2.pdb.gz costs 0 real_cost = -195.937 T0324.try6-opt2.gromacs0.pdb.gz costs 0 real_cost = -194.828 T0324.try6-opt1.pdb.gz costs 0 real_cost = -193.528 T0324.try6-opt1-scwrl.pdb.gz costs 0 real_cost = -196.368 T0324.try5-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -197.345 T0324.try5-opt2.pdb.gz costs 0 real_cost = -198.694 T0324.try5-opt2.gromacs0.pdb.gz costs 0 real_cost = -199.69 T0324.try5-opt1.pdb.gz costs 0 real_cost = -194.737 T0324.try5-opt1-scwrl.pdb.gz costs 0 real_cost = -194.857 T0324.try4-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -196.197 T0324.try4-opt2.pdb.gz costs 0 real_cost = -197.984 T0324.try4-opt2.gromacs0.pdb.gz costs 0 real_cost = -198.388 T0324.try4-opt1.pdb.gz costs 0 real_cost = -194.142 T0324.try4-opt1-scwrl.pdb.gz costs 0 real_cost = -194.388 T0324.try3-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -190.141 T0324.try3-opt2.pdb.gz costs 0 real_cost = -195.678 T0324.try3-opt2.gromacs0.pdb.gz costs 0 real_cost = -196.066 T0324.try3-opt1.pdb.gz costs 0 real_cost = -191.099 T0324.try3-opt1-scwrl.pdb.gz costs 0 real_cost = -193.219 T0324.try2-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -180.368 T0324.try2-opt2.pdb.gz costs 0 real_cost = -175.844 T0324.try2-opt2.gromacs0.pdb.gz costs 0 real_cost = -172.035 T0324.try2-opt1.pdb.gz costs 0 real_cost = -172.2 T0324.try2-opt1-scwrl.pdb.gz costs 0 real_cost = -172.043 T0324.try13-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -202.499 T0324.try13-opt2.pdb.gz costs 0 real_cost = -205.318 T0324.try13-opt2.gromacs0.pdb.gz costs 0 real_cost = -201.696 T0324.try13-opt1.pdb.gz costs 0 real_cost = -202.216 T0324.try13-opt1-scwrl.pdb.gz costs 0 real_cost = -199.23 T0324.try12-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -208.434 T0324.try12-opt2.pdb.gz costs 0 real_cost = -207.079 T0324.try12-opt2.gromacs0.pdb.gz costs 0 real_cost = -206.117 T0324.try12-opt1.pdb.gz costs 0 real_cost = -204.8 T0324.try12-opt1-scwrl.pdb.gz costs 0 real_cost = -203.64 T0324.try11-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -202.571 T0324.try11-opt2.pdb.gz costs 0 real_cost = -201.478 T0324.try11-opt2.gromacs0.pdb.gz costs 0 real_cost = -201.576 T0324.try11-opt1.pdb.gz costs 0 real_cost = -201.062 T0324.try11-opt1-scwrl.pdb.gz costs 0 real_cost = -199.959 T0324.try10-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -198.053 T0324.try10-opt2.pdb.gz costs 0 real_cost = -202.295 T0324.try10-opt2.gromacs0.pdb.gz costs 0 real_cost = -197.614 T0324.try10-opt1.pdb.gz costs 0 real_cost = -201.023 T0324.try10-opt1-scwrl.pdb.gz costs 0 real_cost = -198.46 T0324.try1-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -184.087 T0324.try1-opt2.pdb.gz costs 0 real_cost = -181.661 T0324.try1-opt2.gromacs0.pdb.gz costs 0 real_cost = -182.344 T0324.try1-opt1.pdb.gz costs 0 real_cost = -181.369 T0324.try1-opt1-scwrl.pdb.gz costs 0 real_cost = -182.04 ../model5.ts-submitted costs 0 real_cost = -91.8361 ../model4.ts-submitted costs 0 real_cost = -181.689 ../model3.ts-submitted costs 0 real_cost = -198.698 ../model2.ts-submitted costs 0 real_cost = -195.773 ../model1.ts-submitted costs 0 real_cost = -205.328 align5 costs 0 real_cost = -176.075 align4 costs 0 real_cost = -120.429 align3 costs 0 real_cost = -92.7163 align2 costs 0 real_cost = -123.133 align1 costs 0 real_cost = -100.008 T0324.try1-opt2.pdb costs 0 real_cost = -181.66 model5-scwrl costs 0 real_cost = -28.5025 model5.ts-submitted costs 0 real_cost = -91.8361 model4-scwrl costs 0 real_cost = -183.36 model4.ts-submitted costs 0 real_cost = -181.689 model3-scwrl costs 0 real_cost = -198.302 model3.ts-submitted costs 0 real_cost = -198.698 model2-scwrl costs 0 real_cost = -200.876 model2.ts-submitted costs 0 real_cost = -195.773 model1-scwrl costs 0 real_cost = -201.204 model1.ts-submitted costs 0 real_cost = -205.328 T0324_1.real.pdb costs 0 real_cost = -784.8 # command:CPU_time= 424.345 sec, elapsed time= 809.025 sec) # command:rm -f sort.tmp /projects/compbio/bin/sorttbl real_cost < decoys/evaluate_1.rdb > sort.tmp mv -f sort.tmp decoys/evaluate_1.rdb mv -f decoys/evaluate_1.pretty decoys/evaluate_1.pretty.old mv: cannot stat `decoys/evaluate_1.pretty': No such file or directory make: [decoys/evaluate_1.pretty] Error 1 (ignored) /projects/compbio/experiments/protein-predict/casp7/scripts/prettyscore -terse -targpfx -decpoint < decoys/evaluate_1.rdb > decoys/evaluate_1.pretty rm -f decoys/evaluate_2.rdb sed -e s/XXX0000/T0324/ -e s/START_COL/1/ \ -e s/REAL_PDB/2hdoA/ \ -e s/_domain/_2/ \ -e s/read-pdb/read-pdb+servers/ \ -e 's/ReadConformPDBids/# ReadConformPDBids/' \ -e 's/# ReadConformPDB /ReadConformPDB /' \ -e 's/include COSTFCN.costfcn//' \ -e s/.COSTFCN// \ < /projects/compbio/experiments/protein-predict/casp7/starter-directory/evaluate.under \ | nice -2 /projects/compbio/programs/undertaker/undertaker # command:# Seed set to 1175380090 # 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= 4.6143 sec, elapsed time= 4.82696 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= 4.67729 sec, elapsed time= 5.04986 sec) # command:# Prefix for input files set to # command:# Making conformation for sequence T0324 numbered 1 through 208 Created new target T0324 from T0324.a2m # command:# command:# No conformations to remove in PopConform # command:# cleared Id set # command:# command:# ReadConformPDB reading from PDB file T0324_2.real.pdb looking for model 1 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 501, because occupancy 5.0000000e-01 <= existing 0.500 in T0324_2.real.pdb Skipped atom 505, because occupancy 0.500 <= existing 0.500 in T0324_2.real.pdb Skipped atom 507, because occupancy 0.500 <= existing 0.500 in T0324_2.real.pdb Skipped atom 509, because occupancy 0.500 <= existing 0.500 in T0324_2.real.pdb Skipped atom 511, because occupancy 0.500 <= existing 0.500 in T0324_2.real.pdb Skipped atom 513, because occupancy 0.500 <= existing 0.500 in T0324_2.real.pdb Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M 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 # WARNING: incomplete conformation T0324 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= 6.52501 sec, elapsed time= 6.91523 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 191 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -70 # GDT_score(maxd=8,maxw=2.9)= -73.8015 # GDT_score(maxd=8,maxw=3.2)= -69.6386 # GDT_score(maxd=8,maxw=3.5)= -65.8548 # GDT_score(maxd=10,maxw=3.8)= -68.9855 # GDT_score(maxd=10,maxw=4)= -66.767 # GDT_score(maxd=10,maxw=4.2)= -64.677 # GDT_score(maxd=12,maxw=4.3)= -68.4375 # GDT_score(maxd=12,maxw=4.5)= -66.3873 # GDT_score(maxd=12,maxw=4.7)= -64.4789 # GDT_score(maxd=14,maxw=5.2)= -63.5973 # GDT_score(maxd=14,maxw=5.5)= -60.9653 # command:# Prefix for output files set to # command:superimposing iter= 0 total_weight= 754.000 rmsd (weighted)= 3.427 (unweighted)= 52.902 superimposing iter= 1 total_weight= 2061.314 rmsd (weighted)= 1.592 (unweighted)= 53.065 superimposing iter= 2 total_weight= 707.562 rmsd (weighted)= 1.322 (unweighted)= 53.110 superimposing iter= 3 total_weight= 538.690 rmsd (weighted)= 1.261 (unweighted)= 53.154 superimposing iter= 4 total_weight= 525.622 rmsd (weighted)= 1.218 (unweighted)= 53.186 superimposing iter= 5 total_weight= 517.546 rmsd (weighted)= 1.186 (unweighted)= 53.204 # command:# Prefix for output files set to decoys/ # command:# request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1175480294.pdb -s /var/tmp/to_scwrl_1175480294.seq -o /var/tmp/from_scwrl_1175480294.pdb > /var/tmp/scwrl_1175480294.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1175480294.pdb # conformation set from SCWRL output # command:# naming current conformation model1-scwrl # command:# ReadConformPDB reading from PDB file model2.ts-submitted looking for model 1 # Found a chain break before 190 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -71.1538 # GDT_score(maxd=8,maxw=2.9)= -74.4682 # GDT_score(maxd=8,maxw=3.2)= -70.5617 # GDT_score(maxd=8,maxw=3.5)= -66.7797 # GDT_score(maxd=10,maxw=3.8)= -69.8374 # GDT_score(maxd=10,maxw=4)= -67.5702 # GDT_score(maxd=10,maxw=4.2)= -65.4515 # GDT_score(maxd=12,maxw=4.3)= -69.1714 # GDT_score(maxd=12,maxw=4.5)= -67.1228 # GDT_score(maxd=12,maxw=4.7)= -65.2254 # GDT_score(maxd=14,maxw=5.2)= -64.1865 # GDT_score(maxd=14,maxw=5.5)= -61.4835 # command:# request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1589984725.pdb -s /var/tmp/to_scwrl_1589984725.seq -o /var/tmp/from_scwrl_1589984725.pdb > /var/tmp/scwrl_1589984725.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1589984725.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 198 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -71.5385 # GDT_score(maxd=8,maxw=2.9)= -74.0401 # GDT_score(maxd=8,maxw=3.2)= -70.3501 # GDT_score(maxd=8,maxw=3.5)= -66.6573 # GDT_score(maxd=10,maxw=3.8)= -69.7246 # GDT_score(maxd=10,maxw=4)= -67.4534 # GDT_score(maxd=10,maxw=4.2)= -65.3403 # GDT_score(maxd=12,maxw=4.3)= -69.0628 # GDT_score(maxd=12,maxw=4.5)= -67.019 # GDT_score(maxd=12,maxw=4.7)= -65.1284 # GDT_score(maxd=14,maxw=5.2)= -64.1347 # GDT_score(maxd=14,maxw=5.5)= -61.5052 # command:# request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_529348825.pdb -s /var/tmp/to_scwrl_529348825.seq -o /var/tmp/from_scwrl_529348825.pdb > /var/tmp/scwrl_529348825.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_529348825.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 198 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -42.6923 # GDT_score(maxd=8,maxw=2.9)= -39.9236 # GDT_score(maxd=8,maxw=3.2)= -37.9678 # GDT_score(maxd=8,maxw=3.5)= -36.2958 # GDT_score(maxd=10,maxw=3.8)= -40.3897 # GDT_score(maxd=10,maxw=4)= -39.2905 # GDT_score(maxd=10,maxw=4.2)= -38.2254 # GDT_score(maxd=12,maxw=4.3)= -42.0805 # GDT_score(maxd=12,maxw=4.5)= -40.9606 # GDT_score(maxd=12,maxw=4.7)= -39.8723 # GDT_score(maxd=14,maxw=5.2)= -40.7646 # GDT_score(maxd=14,maxw=5.5)= -39.1446 # command:# request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1296842239.pdb -s /var/tmp/to_scwrl_1296842239.seq -o /var/tmp/from_scwrl_1296842239.pdb > /var/tmp/scwrl_1296842239.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1296842239.pdb # conformation set from SCWRL output # command:# naming current conformation model4-scwrl # command:# ReadConformPDB reading from PDB file model5.ts-submitted looking for model 1 # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # command:# fraction of real conformation used = 0.953846 # GDT_score = -82.3077 # GDT_score(maxd=8,maxw=2.9)= -87.5129 # GDT_score(maxd=8,maxw=3.2)= -83.8967 # GDT_score(maxd=8,maxw=3.5)= -80.077 # GDT_score(maxd=10,maxw=3.8)= -81.6228 # GDT_score(maxd=10,maxw=4)= -79.2664 # GDT_score(maxd=10,maxw=4.2)= -76.896 # GDT_score(maxd=12,maxw=4.3)= -79.8402 # GDT_score(maxd=12,maxw=4.5)= -77.5725 # GDT_score(maxd=12,maxw=4.7)= -75.3555 # GDT_score(maxd=14,maxw=5.2)= -73.312 # GDT_score(maxd=14,maxw=5.5)= -70.4041 # command:# request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1976063287.pdb -s /var/tmp/to_scwrl_1976063287.seq -o /var/tmp/from_scwrl_1976063287.pdb > /var/tmp/scwrl_1976063287.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1976063287.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 T0324.try1-opt2.pdb looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -42.6923 # GDT_score(maxd=8,maxw=2.9)= -39.9228 # GDT_score(maxd=8,maxw=3.2)= -37.967 # GDT_score(maxd=8,maxw=3.5)= -36.2951 # GDT_score(maxd=10,maxw=3.8)= -40.3889 # GDT_score(maxd=10,maxw=4)= -39.2898 # GDT_score(maxd=10,maxw=4.2)= -38.2247 # GDT_score(maxd=12,maxw=4.3)= -42.0673 # GDT_score(maxd=12,maxw=4.5)= -40.9479 # GDT_score(maxd=12,maxw=4.7)= -39.8601 # GDT_score(maxd=14,maxw=5.2)= -40.7536 # GDT_score(maxd=14,maxw=5.5)= -39.1345 # command:# Prefix for output files set to # command:superimposing iter= 0 total_weight= 754.000 rmsd (weighted)= 8.750 (unweighted)= 52.466 superimposing iter= 1 total_weight= 1079.336 rmsd (weighted)= 5.816 (unweighted)= 53.116 superimposing iter= 2 total_weight= 556.592 rmsd (weighted)= 5.435 (unweighted)= 53.481 superimposing iter= 3 total_weight= 537.686 rmsd (weighted)= 5.172 (unweighted)= 53.808 superimposing iter= 4 total_weight= 554.617 rmsd (weighted)= 4.851 (unweighted)= 54.083 superimposing iter= 5 total_weight= 549.153 rmsd (weighted)= 4.579 (unweighted)= 54.280 # command:# Prefix for output files set to decoys/ # command:# Prefix for input files set to # command:# ReadConformPDB reading from PDB file T0324.undertaker-align.pdb looking for model 1 WARNING: atoms too close: (T0324)E55.C and (T0324)L56.C only 0.000 apart, marking (T0324)L56.C as missing WARNING: atoms too close: (T0324)L56.N and (T0324)G57.N only 0.000 apart, marking (T0324)L56.N as missing WARNING: atoms too close: (T0324)L56.CA and (T0324)G57.CA only 0.000 apart, marking (T0324)L56.CA as missing WARNING: atoms too close: (T0324)K137.C and (T0324)D139.C only 0.000 apart, marking (T0324)D139.C as missing WARNING: atoms too close: (T0324)P138.N and (T0324)P140.N only 0.000 apart, marking (T0324)P138.N as missing WARNING: atoms too close: (T0324)P138.CA and (T0324)P140.CA only 0.000 apart, marking (T0324)P138.CA as missing # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # command:# naming current conformation align1 # command:# fraction of real conformation used = 0.953846 # GDT_score = -82.3077 # GDT_score(maxd=8,maxw=2.9)= -87.5128 # GDT_score(maxd=8,maxw=3.2)= -83.8961 # GDT_score(maxd=8,maxw=3.5)= -80.076 # GDT_score(maxd=10,maxw=3.8)= -81.622 # GDT_score(maxd=10,maxw=4)= -79.2693 # GDT_score(maxd=10,maxw=4.2)= -76.8983 # GDT_score(maxd=12,maxw=4.3)= -79.8429 # GDT_score(maxd=12,maxw=4.5)= -77.5746 # GDT_score(maxd=12,maxw=4.7)= -75.3574 # GDT_score(maxd=14,maxw=5.2)= -73.3135 # GDT_score(maxd=14,maxw=5.5)= -70.4055 # command:# ReadConformPDB reading from PDB file T0324.undertaker-align.pdb looking for model 2 WARNING: atoms too close: (T0324)P95.C and (T0324)E97.C only 0.000 apart, marking (T0324)E97.C as missing WARNING: atoms too close: (T0324)S96.N and (T0324)L98.N only 0.000 apart, marking (T0324)S96.N as missing WARNING: atoms too close: (T0324)S96.CA and (T0324)L98.CA only 0.000 apart, marking (T0324)S96.CA as missing # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # command:# naming current conformation align2 # command:# fraction of real conformation used = 0.938462 # GDT_score = -59.6154 # GDT_score(maxd=8,maxw=2.9)= -61.0236 # GDT_score(maxd=8,maxw=3.2)= -57.3379 # GDT_score(maxd=8,maxw=3.5)= -54.2694 # GDT_score(maxd=10,maxw=3.8)= -57.8111 # GDT_score(maxd=10,maxw=4)= -55.9975 # GDT_score(maxd=10,maxw=4.2)= -54.2714 # GDT_score(maxd=12,maxw=4.3)= -58.0093 # GDT_score(maxd=12,maxw=4.5)= -56.2819 # GDT_score(maxd=12,maxw=4.7)= -54.607 # GDT_score(maxd=14,maxw=5.2)= -54.186 # GDT_score(maxd=14,maxw=5.5)= -51.9856 # command:# ReadConformPDB reading from PDB file T0324.undertaker-align.pdb looking for model 3 WARNING: atoms too close: (T0324)P35.C and (T0324)S37.C only 0.000 apart, marking (T0324)S37.C as missing WARNING: atoms too close: (T0324)F36.N and (T0324)P38.N only 0.000 apart, marking (T0324)F36.N as missing WARNING: atoms too close: (T0324)F36.CA and (T0324)P38.CA only 0.000 apart, marking (T0324)F36.CA as missing WARNING: atoms too close: (T0324)E62.C and (T0324)H65.C only 0.000 apart, marking (T0324)H65.C as missing WARNING: atoms too close: (T0324)F63.N and (T0324)F66.N only 0.000 apart, marking (T0324)F63.N as missing WARNING: atoms too close: (T0324)F63.CA and (T0324)F66.CA only 0.000 apart, marking (T0324)F63.CA as missing # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # command:# naming current conformation align3 # command:# ReadConformPDB reading from PDB file T0324.undertaker-align.pdb looking for model 4 WARNING: atoms too close: (T0324)S76.C and (T0324)D79.C only 0.000 apart, marking (T0324)D79.C as missing WARNING: atoms too close: (T0324)H77.N and (T0324)Q80.N only 0.000 apart, marking (T0324)H77.N as missing WARNING: atoms too close: (T0324)H77.CA and (T0324)Q80.CA only 0.000 apart, marking (T0324)H77.CA as missing # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # command:# naming current conformation align4 # command:# ReadConformPDB reading from PDB file T0324.undertaker-align.pdb looking for model 5 WARNING: atoms too close: (T0324)M1.C and (T0324)T2.C only 0.000 apart, marking (T0324)T2.C as missing WARNING: atoms too close: (T0324)T2.N and (T0324)Y3.N only 0.000 apart, marking (T0324)T2.N as missing WARNING: atoms too close: (T0324)T2.CA and (T0324)Y3.CA only 0.000 apart, marking (T0324)T2.CA as missing WARNING: atoms too close: (T0324)T15.C and (T0324)N16.C only 0.000 apart, marking (T0324)N16.C as missing WARNING: atoms too close: (T0324)N16.N and (T0324)S17.N only 0.000 apart, marking (T0324)N16.N as missing WARNING: atoms too close: (T0324)N16.CA and (T0324)S17.CA only 0.000 apart, marking (T0324)N16.CA as missing WARNING: atoms too close: (T0324)A59.C and (T0324)S61.C only 0.000 apart, marking (T0324)S61.C as missing WARNING: atoms too close: (T0324)A60.N and (T0324)E62.N only 0.000 apart, marking (T0324)A60.N as missing WARNING: atoms too close: (T0324)A60.CA and (T0324)E62.CA only 0.000 apart, marking (T0324)A60.CA as missing WARNING: atoms too close: (T0324)S76.C and (T0324)D79.C only 0.000 apart, marking (T0324)D79.C as missing WARNING: atoms too close: (T0324)H77.N and (T0324)Q80.N only 0.000 apart, marking (T0324)H77.N as missing WARNING: atoms too close: (T0324)H77.CA and (T0324)Q80.CA only 0.000 apart, marking (T0324)H77.CA as missing # WARNING: incomplete conformation T0324 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 191 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model2.ts-submitted looking for model 1 # Found a chain break before 190 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model3.ts-submitted looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model4.ts-submitted looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model5.ts-submitted looking for model 1 # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # ReadConformPDB reading from PDB file T0324.try1-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try1-opt1.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try1-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 173 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try1-opt2.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try1-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try10-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try10-opt1.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try10-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 191 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try10-opt2.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try10-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try11-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try11-opt1.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try11-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 191 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try11-opt2.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try11-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try12-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try12-opt1.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try12-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 204 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try12-opt2.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try12-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try13-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 191 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try13-opt1.pdb.gz looking for model 1 # Found a chain break before 191 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try13-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 203 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try13-opt2.pdb.gz looking for model 1 # Found a chain break before 191 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try13-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 191 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try2-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try2-opt1.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try2-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 173 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try2-opt2.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try2-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try3-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 206 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try3-opt1.pdb.gz looking for model 1 # Found a chain break before 206 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try3-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 191 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try3-opt2.pdb.gz looking for model 1 # Found a chain break before 206 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try3-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 206 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try4-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try4-opt1.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try4-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 193 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try4-opt2.pdb.gz looking for model 1 # Found a chain break before 193 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try4-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 T0324.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 T0324.try5-opt1.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try5-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 191 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try5-opt2.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try5-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try6-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 190 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try6-opt1.pdb.gz looking for model 1 # Found a chain break before 190 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try6-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 191 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try6-opt2.pdb.gz looking for model 1 # Found a chain break before 190 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try6-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 190 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try7-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try7-opt1.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try7-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try7-opt2.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try7-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try8-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 190 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try8-opt1.pdb.gz looking for model 1 # Found a chain break before 190 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try8-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 207 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try8-opt2.pdb.gz looking for model 1 # Found a chain break before 200 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try8-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 200 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try9-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 202 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try9-opt1.pdb.gz looking for model 1 # Found a chain break before 202 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try9-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 203 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try9-opt2.pdb.gz looking for model 1 # Found a chain break before 203 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0324.try9-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 203 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_950767701.pdb -s /var/tmp/to_scwrl_950767701.seq -o /var/tmp/from_scwrl_950767701.pdb > /var/tmp/scwrl_950767701.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_950767701.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 T0324 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_2035408966.pdb -s /var/tmp/to_scwrl_2035408966.seq -o /var/tmp/from_scwrl_2035408966.pdb > /var/tmp/scwrl_2035408966.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2035408966.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_POPULUS_TS2-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS3.pdb.gz looking for model 1 # Found a chain break before 200 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1433906714.pdb -s /var/tmp/to_scwrl_1433906714.seq -o /var/tmp/from_scwrl_1433906714.pdb > /var/tmp/scwrl_1433906714.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1433906714.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 # Found a chain break before 204 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1404477244.pdb -s /var/tmp/to_scwrl_1404477244.seq -o /var/tmp/from_scwrl_1404477244.pdb > /var/tmp/scwrl_1404477244.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1404477244.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 # Found a chain break before 193 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1532266351.pdb -s /var/tmp/to_scwrl_1532266351.seq -o /var/tmp/from_scwrl_1532266351.pdb > /var/tmp/scwrl_1532266351.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1532266351.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 T0324 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_351121014.pdb -s /var/tmp/to_scwrl_351121014.seq -o /var/tmp/from_scwrl_351121014.pdb > /var/tmp/scwrl_351121014.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_351121014.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 T0324 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1232916002.pdb -s /var/tmp/to_scwrl_1232916002.seq -o /var/tmp/from_scwrl_1232916002.pdb > /var/tmp/scwrl_1232916002.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1232916002.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 # Found a chain break before 205 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_RECOM_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1625678542.pdb -s /var/tmp/to_scwrl_1625678542.seq -o /var/tmp/from_scwrl_1625678542.pdb > /var/tmp/scwrl_1625678542.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1625678542.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 T0324 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_932530324.pdb -s /var/tmp/to_scwrl_932530324.seq -o /var/tmp/from_scwrl_932530324.pdb > /var/tmp/scwrl_932530324.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_932530324.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 T0324 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_20592262.pdb -s /var/tmp/to_scwrl_20592262.seq -o /var/tmp/from_scwrl_20592262.pdb > /var/tmp/scwrl_20592262.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_20592262.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 T0324 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_709143844.pdb -s /var/tmp/to_scwrl_709143844.seq -o /var/tmp/from_scwrl_709143844.pdb > /var/tmp/scwrl_709143844.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_709143844.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 T0324 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1059830034.pdb -s /var/tmp/to_scwrl_1059830034.seq -o /var/tmp/from_scwrl_1059830034.pdb > /var/tmp/scwrl_1059830034.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1059830034.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 T0324 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_972865722.pdb -s /var/tmp/to_scwrl_972865722.seq -o /var/tmp/from_scwrl_972865722.pdb > /var/tmp/scwrl_972865722.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_972865722.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 # Found a chain break before 205 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_440246236.pdb -s /var/tmp/to_scwrl_440246236.seq -o /var/tmp/from_scwrl_440246236.pdb > /var/tmp/scwrl_440246236.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_440246236.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 T0324 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_325949919.pdb -s /var/tmp/to_scwrl_325949919.seq -o /var/tmp/from_scwrl_325949919.pdb > /var/tmp/scwrl_325949919.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_325949919.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 152 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_497585115.pdb -s /var/tmp/to_scwrl_497585115.seq -o /var/tmp/from_scwrl_497585115.pdb > /var/tmp/scwrl_497585115.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_497585115.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 193 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1908462053.pdb -s /var/tmp/to_scwrl_1908462053.seq -o /var/tmp/from_scwrl_1908462053.pdb > /var/tmp/scwrl_1908462053.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1908462053.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 140 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1153370276.pdb -s /var/tmp/to_scwrl_1153370276.seq -o /var/tmp/from_scwrl_1153370276.pdb > /var/tmp/scwrl_1153370276.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1153370276.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 198 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_2032398612.pdb -s /var/tmp/to_scwrl_2032398612.seq -o /var/tmp/from_scwrl_2032398612.pdb > /var/tmp/scwrl_2032398612.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2032398612.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 ; scwrl3 -i /var/tmp/to_scwrl_1949951736.pdb -s /var/tmp/to_scwrl_1949951736.seq -o /var/tmp/from_scwrl_1949951736.pdb > /var/tmp/scwrl_1949951736.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1949951736.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 203 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_502544091.pdb -s /var/tmp/to_scwrl_502544091.seq -o /var/tmp/from_scwrl_502544091.pdb > /var/tmp/scwrl_502544091.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_502544091.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 206 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_65398035.pdb -s /var/tmp/to_scwrl_65398035.seq -o /var/tmp/from_scwrl_65398035.pdb > /var/tmp/scwrl_65398035.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_65398035.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 197 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_792104503.pdb -s /var/tmp/to_scwrl_792104503.seq -o /var/tmp/from_scwrl_792104503.pdb > /var/tmp/scwrl_792104503.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_792104503.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 183 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1419886884.pdb -s /var/tmp/to_scwrl_1419886884.seq -o /var/tmp/from_scwrl_1419886884.pdb > /var/tmp/scwrl_1419886884.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1419886884.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 195 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1114185663.pdb -s /var/tmp/to_scwrl_1114185663.seq -o /var/tmp/from_scwrl_1114185663.pdb > /var/tmp/scwrl_1114185663.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1114185663.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 183 # copying to AlignedFragments data structure # naming current conformation BayesHH_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_879850776.pdb -s /var/tmp/to_scwrl_879850776.seq -o /var/tmp/from_scwrl_879850776.pdb > /var/tmp/scwrl_879850776.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_879850776.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 184 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_447883532.pdb -s /var/tmp/to_scwrl_447883532.seq -o /var/tmp/from_scwrl_447883532.pdb > /var/tmp/scwrl_447883532.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_447883532.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 184 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_556686742.pdb -s /var/tmp/to_scwrl_556686742.seq -o /var/tmp/from_scwrl_556686742.pdb > /var/tmp/scwrl_556686742.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_556686742.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 196 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1409199601.pdb -s /var/tmp/to_scwrl_1409199601.seq -o /var/tmp/from_scwrl_1409199601.pdb > /var/tmp/scwrl_1409199601.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1409199601.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 207 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1744725771.pdb -s /var/tmp/to_scwrl_1744725771.seq -o /var/tmp/from_scwrl_1744725771.pdb > /var/tmp/scwrl_1744725771.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1744725771.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 207 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_385266382.pdb -s /var/tmp/to_scwrl_385266382.seq -o /var/tmp/from_scwrl_385266382.pdb > /var/tmp/scwrl_385266382.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_385266382.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 203 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_212483655.pdb -s /var/tmp/to_scwrl_212483655.seq -o /var/tmp/from_scwrl_212483655.pdb > /var/tmp/scwrl_212483655.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_212483655.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 201 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1632651091.pdb -s /var/tmp/to_scwrl_1632651091.seq -o /var/tmp/from_scwrl_1632651091.pdb > /var/tmp/scwrl_1632651091.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1632651091.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 201 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1819173096.pdb -s /var/tmp/to_scwrl_1819173096.seq -o /var/tmp/from_scwrl_1819173096.pdb > /var/tmp/scwrl_1819173096.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1819173096.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS3-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS4.pdb.gz looking for model 1 # Found a chain break before 205 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1616960899.pdb -s /var/tmp/to_scwrl_1616960899.seq -o /var/tmp/from_scwrl_1616960899.pdb > /var/tmp/scwrl_1616960899.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1616960899.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 200 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1017433796.pdb -s /var/tmp/to_scwrl_1017433796.seq -o /var/tmp/from_scwrl_1017433796.pdb > /var/tmp/scwrl_1017433796.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1017433796.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 T0324 can't currently be optimized by undertaker # naming current conformation CPHmodels_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_22810463.pdb -s /var/tmp/to_scwrl_22810463.seq -o /var/tmp/from_scwrl_22810463.pdb > /var/tmp/scwrl_22810463.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_22810463.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 T0324 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_702393256.pdb -s /var/tmp/to_scwrl_702393256.seq -o /var/tmp/from_scwrl_702393256.pdb > /var/tmp/scwrl_702393256.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_702393256.pdb # conformation set from SCWRL output # naming current conformation CaspIta-FOX_TS1-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_495628692.pdb -s /var/tmp/to_scwrl_495628692.seq -o /var/tmp/from_scwrl_495628692.pdb > /var/tmp/scwrl_495628692.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_495628692.pdb # conformation set from SCWRL output # naming current conformation CaspIta-FOX_TS2-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_955340787.pdb -s /var/tmp/to_scwrl_955340787.seq -o /var/tmp/from_scwrl_955340787.pdb > /var/tmp/scwrl_955340787.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_955340787.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 196 # copying to AlignedFragments data structure # naming current conformation CaspIta-FOX_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_722985518.pdb -s /var/tmp/to_scwrl_722985518.seq -o /var/tmp/from_scwrl_722985518.pdb > /var/tmp/scwrl_722985518.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_722985518.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 T0324 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1204772535.pdb -s /var/tmp/to_scwrl_1204772535.seq -o /var/tmp/from_scwrl_1204772535.pdb > /var/tmp/scwrl_1204772535.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1204772535.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 T0324 can't currently be optimized by undertaker # naming current conformation Distill_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_2015170820.pdb -s /var/tmp/to_scwrl_2015170820.seq -o /var/tmp/from_scwrl_2015170820.pdb > /var/tmp/scwrl_2015170820.log Error: Couldn't open file /var/tmp/from_scwrl_2015170820.pdb or /var/tmp/from_scwrl_2015170820.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2015170820_b.pdb or decoys//var/tmp/from_scwrl_2015170820_b.pdb.gz for input Trying /var/tmp/from_scwrl_2015170820_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2015170820_b.pdb or /var/tmp/from_scwrl_2015170820_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2015170820_a.pdb or decoys//var/tmp/from_scwrl_2015170820_a.pdb.gz for input Trying /var/tmp/from_scwrl_2015170820_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2015170820_a.pdb or /var/tmp/from_scwrl_2015170820_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2015170820.pdb or /var/tmp/from_scwrl_2015170820_b.pdb or /var/tmp/from_scwrl_2015170820_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 T0324 can't currently be optimized by undertaker # naming current conformation Distill_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1695851240.pdb -s /var/tmp/to_scwrl_1695851240.seq -o /var/tmp/from_scwrl_1695851240.pdb > /var/tmp/scwrl_1695851240.log Error: Couldn't open file /var/tmp/from_scwrl_1695851240.pdb or /var/tmp/from_scwrl_1695851240.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1695851240_b.pdb or decoys//var/tmp/from_scwrl_1695851240_b.pdb.gz for input Trying /var/tmp/from_scwrl_1695851240_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1695851240_b.pdb or /var/tmp/from_scwrl_1695851240_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1695851240_a.pdb or decoys//var/tmp/from_scwrl_1695851240_a.pdb.gz for input Trying /var/tmp/from_scwrl_1695851240_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1695851240_a.pdb or /var/tmp/from_scwrl_1695851240_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1695851240.pdb or /var/tmp/from_scwrl_1695851240_b.pdb or /var/tmp/from_scwrl_1695851240_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 T0324 can't currently be optimized by undertaker # naming current conformation Distill_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1645018772.pdb -s /var/tmp/to_scwrl_1645018772.seq -o /var/tmp/from_scwrl_1645018772.pdb > /var/tmp/scwrl_1645018772.log Error: Couldn't open file /var/tmp/from_scwrl_1645018772.pdb or /var/tmp/from_scwrl_1645018772.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1645018772_b.pdb or decoys//var/tmp/from_scwrl_1645018772_b.pdb.gz for input Trying /var/tmp/from_scwrl_1645018772_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1645018772_b.pdb or /var/tmp/from_scwrl_1645018772_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1645018772_a.pdb or decoys//var/tmp/from_scwrl_1645018772_a.pdb.gz for input Trying /var/tmp/from_scwrl_1645018772_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1645018772_a.pdb or /var/tmp/from_scwrl_1645018772_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1645018772.pdb or /var/tmp/from_scwrl_1645018772_b.pdb or /var/tmp/from_scwrl_1645018772_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 T0324 can't currently be optimized by undertaker # naming current conformation Distill_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_193637092.pdb -s /var/tmp/to_scwrl_193637092.seq -o /var/tmp/from_scwrl_193637092.pdb > /var/tmp/scwrl_193637092.log Error: Couldn't open file /var/tmp/from_scwrl_193637092.pdb or /var/tmp/from_scwrl_193637092.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_193637092_b.pdb or decoys//var/tmp/from_scwrl_193637092_b.pdb.gz for input Trying /var/tmp/from_scwrl_193637092_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_193637092_b.pdb or /var/tmp/from_scwrl_193637092_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_193637092_a.pdb or decoys//var/tmp/from_scwrl_193637092_a.pdb.gz for input Trying /var/tmp/from_scwrl_193637092_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_193637092_a.pdb or /var/tmp/from_scwrl_193637092_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_193637092.pdb or /var/tmp/from_scwrl_193637092_b.pdb or /var/tmp/from_scwrl_193637092_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 T0324 can't currently be optimized by undertaker # naming current conformation Distill_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_45952708.pdb -s /var/tmp/to_scwrl_45952708.seq -o /var/tmp/from_scwrl_45952708.pdb > /var/tmp/scwrl_45952708.log Error: Couldn't open file /var/tmp/from_scwrl_45952708.pdb or /var/tmp/from_scwrl_45952708.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_45952708_b.pdb or decoys//var/tmp/from_scwrl_45952708_b.pdb.gz for input Trying /var/tmp/from_scwrl_45952708_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_45952708_b.pdb or /var/tmp/from_scwrl_45952708_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_45952708_a.pdb or decoys//var/tmp/from_scwrl_45952708_a.pdb.gz for input Trying /var/tmp/from_scwrl_45952708_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_45952708_a.pdb or /var/tmp/from_scwrl_45952708_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_45952708.pdb or /var/tmp/from_scwrl_45952708_b.pdb or /var/tmp/from_scwrl_45952708_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 205 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1405997178.pdb -s /var/tmp/to_scwrl_1405997178.seq -o /var/tmp/from_scwrl_1405997178.pdb > /var/tmp/scwrl_1405997178.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1405997178.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 T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FAMSD_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1347007368.pdb -s /var/tmp/to_scwrl_1347007368.seq -o /var/tmp/from_scwrl_1347007368.pdb > /var/tmp/scwrl_1347007368.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1347007368.pdb # conformation set from SCWRL output # naming current conformation FAMSD_TS2-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS3.pdb.gz looking for model 1 # Found a chain break before 204 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_2078351320.pdb -s /var/tmp/to_scwrl_2078351320.seq -o /var/tmp/from_scwrl_2078351320.pdb > /var/tmp/scwrl_2078351320.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2078351320.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 T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FAMSD_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1208465267.pdb -s /var/tmp/to_scwrl_1208465267.seq -o /var/tmp/from_scwrl_1208465267.pdb > /var/tmp/scwrl_1208465267.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1208465267.pdb # conformation set from SCWRL output # naming current conformation FAMSD_TS4-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS5.pdb.gz looking for model 1 # Found a chain break before 201 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1849551460.pdb -s /var/tmp/to_scwrl_1849551460.seq -o /var/tmp/from_scwrl_1849551460.pdb > /var/tmp/scwrl_1849551460.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1849551460.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 204 # copying to AlignedFragments data structure # naming current conformation FAMS_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_2143749355.pdb -s /var/tmp/to_scwrl_2143749355.seq -o /var/tmp/from_scwrl_2143749355.pdb > /var/tmp/scwrl_2143749355.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2143749355.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS1-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS2.pdb.gz looking for model 1 # Found a chain break before 201 # copying to AlignedFragments data structure # naming current conformation FAMS_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_2000569771.pdb -s /var/tmp/to_scwrl_2000569771.seq -o /var/tmp/from_scwrl_2000569771.pdb > /var/tmp/scwrl_2000569771.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2000569771.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 205 # copying to AlignedFragments data structure # naming current conformation FAMS_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1121954697.pdb -s /var/tmp/to_scwrl_1121954697.seq -o /var/tmp/from_scwrl_1121954697.pdb > /var/tmp/scwrl_1121954697.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1121954697.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 ; scwrl3 -i /var/tmp/to_scwrl_1110451372.pdb -s /var/tmp/to_scwrl_1110451372.seq -o /var/tmp/from_scwrl_1110451372.pdb > /var/tmp/scwrl_1110451372.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1110451372.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 201 # copying to AlignedFragments data structure # naming current conformation FAMS_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_732936900.pdb -s /var/tmp/to_scwrl_732936900.seq -o /var/tmp/from_scwrl_732936900.pdb > /var/tmp/scwrl_732936900.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_732936900.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 191 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1569838229.pdb -s /var/tmp/to_scwrl_1569838229.seq -o /var/tmp/from_scwrl_1569838229.pdb > /var/tmp/scwrl_1569838229.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1569838229.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 187 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1667138114.pdb -s /var/tmp/to_scwrl_1667138114.seq -o /var/tmp/from_scwrl_1667138114.pdb > /var/tmp/scwrl_1667138114.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1667138114.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 197 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_2142136501.pdb -s /var/tmp/to_scwrl_2142136501.seq -o /var/tmp/from_scwrl_2142136501.pdb > /var/tmp/scwrl_2142136501.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2142136501.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 206 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1167080354.pdb -s /var/tmp/to_scwrl_1167080354.seq -o /var/tmp/from_scwrl_1167080354.pdb > /var/tmp/scwrl_1167080354.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1167080354.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 203 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_2052404497.pdb -s /var/tmp/to_scwrl_2052404497.seq -o /var/tmp/from_scwrl_2052404497.pdb > /var/tmp/scwrl_2052404497.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2052404497.pdb # conformation set from SCWRL output # naming current conformation FOLDpro_TS5-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL1.pdb.gz looking for model 1 Skipped atom 15, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 300, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_207136510.pdb -s /var/tmp/to_scwrl_207136510.seq -o /var/tmp/from_scwrl_207136510.pdb > /var/tmp/scwrl_207136510.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_207136510.pdb # conformation set from SCWRL output # naming current conformation FORTE1_AL1-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_652247799.pdb -s /var/tmp/to_scwrl_652247799.seq -o /var/tmp/from_scwrl_652247799.pdb > /var/tmp/scwrl_652247799.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_652247799.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 38, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL3.pdb.gz Skipped atom 40, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL3.pdb.gz Skipped atom 42, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL3.pdb.gz Skipped atom 44, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL3.pdb.gz Skipped atom 102, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL3.pdb.gz Skipped atom 104, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL3.pdb.gz Skipped atom 106, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL3.pdb.gz Skipped atom 108, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL3.pdb.gz Skipped atom 206, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL3.pdb.gz Skipped atom 208, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL3.pdb.gz Skipped atom 210, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL3.pdb.gz Skipped atom 212, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL3.pdb.gz Skipped atom 242, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL3.pdb.gz Skipped atom 244, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL3.pdb.gz Skipped atom 246, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL3.pdb.gz Skipped atom 248, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL3.pdb.gz Skipped atom 482, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL3.pdb.gz Skipped atom 484, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL3.pdb.gz Skipped atom 486, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL3.pdb.gz Skipped atom 488, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL3.pdb.gz # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1724093946.pdb -s /var/tmp/to_scwrl_1724093946.seq -o /var/tmp/from_scwrl_1724093946.pdb > /var/tmp/scwrl_1724093946.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1724093946.pdb # conformation set from SCWRL output # naming current conformation FORTE1_AL3-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL4.pdb.gz looking for model 1 Skipped atom 786, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 788, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 790, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 792, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 794, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 796, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 798, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 800, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 802, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 804, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 806, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 808, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 810, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 812, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 814, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 816, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 818, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 820, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 822, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 824, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 826, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 828, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 830, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 832, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz # WARNING: incomplete conformation T0324 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 ; scwrl3 -i /var/tmp/to_scwrl_1824097409.pdb -s /var/tmp/to_scwrl_1824097409.seq -o /var/tmp/from_scwrl_1824097409.pdb > /var/tmp/scwrl_1824097409.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1824097409.pdb # conformation set from SCWRL output # naming current conformation FORTE1_AL4-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1669681594.pdb -s /var/tmp/to_scwrl_1669681594.seq -o /var/tmp/from_scwrl_1669681594.pdb > /var/tmp/scwrl_1669681594.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1669681594.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 15, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 300, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE2_AL1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1746904410.pdb -s /var/tmp/to_scwrl_1746904410.seq -o /var/tmp/from_scwrl_1746904410.pdb > /var/tmp/scwrl_1746904410.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1746904410.pdb # conformation set from SCWRL output # naming current conformation FORTE2_AL1-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL2.pdb.gz looking for model 1 Skipped atom 38, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 40, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 42, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 44, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 102, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 104, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 106, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 108, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 206, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 208, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 210, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 212, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 242, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 244, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 246, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 248, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 482, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 484, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 486, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 488, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE2_AL2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_379007018.pdb -s /var/tmp/to_scwrl_379007018.seq -o /var/tmp/from_scwrl_379007018.pdb > /var/tmp/scwrl_379007018.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_379007018.pdb # conformation set from SCWRL output # naming current conformation FORTE2_AL2-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE2_AL3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_17826639.pdb -s /var/tmp/to_scwrl_17826639.seq -o /var/tmp/from_scwrl_17826639.pdb > /var/tmp/scwrl_17826639.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_17826639.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 T0324 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 ; scwrl3 -i /var/tmp/to_scwrl_554761550.pdb -s /var/tmp/to_scwrl_554761550.seq -o /var/tmp/from_scwrl_554761550.pdb > /var/tmp/scwrl_554761550.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_554761550.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 T0324 can't currently be optimized by undertaker # naming current conformation FORTE2_AL5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1101992536.pdb -s /var/tmp/to_scwrl_1101992536.seq -o /var/tmp/from_scwrl_1101992536.pdb > /var/tmp/scwrl_1101992536.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1101992536.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 203 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1222599175.pdb -s /var/tmp/to_scwrl_1222599175.seq -o /var/tmp/from_scwrl_1222599175.pdb > /var/tmp/scwrl_1222599175.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1222599175.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 206 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_422448724.pdb -s /var/tmp/to_scwrl_422448724.seq -o /var/tmp/from_scwrl_422448724.pdb > /var/tmp/scwrl_422448724.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_422448724.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 207 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_650360130.pdb -s /var/tmp/to_scwrl_650360130.seq -o /var/tmp/from_scwrl_650360130.pdb > /var/tmp/scwrl_650360130.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_650360130.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 ; scwrl3 -i /var/tmp/to_scwrl_720134301.pdb -s /var/tmp/to_scwrl_720134301.seq -o /var/tmp/from_scwrl_720134301.pdb > /var/tmp/scwrl_720134301.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_720134301.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 ; scwrl3 -i /var/tmp/to_scwrl_616085816.pdb -s /var/tmp/to_scwrl_616085816.seq -o /var/tmp/from_scwrl_616085816.pdb > /var/tmp/scwrl_616085816.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_616085816.pdb # conformation set from SCWRL output # naming current conformation FPSOLVER-SERVER_TS5-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS1.pdb.gz looking for model 1 # Found a chain break before 184 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_696312838.pdb -s /var/tmp/to_scwrl_696312838.seq -o /var/tmp/from_scwrl_696312838.pdb > /var/tmp/scwrl_696312838.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_696312838.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS1-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_2126131479.pdb -s /var/tmp/to_scwrl_2126131479.seq -o /var/tmp/from_scwrl_2126131479.pdb > /var/tmp/scwrl_2126131479.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2126131479.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS2-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1963093185.pdb -s /var/tmp/to_scwrl_1963093185.seq -o /var/tmp/from_scwrl_1963093185.pdb > /var/tmp/scwrl_1963093185.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1963093185.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS3-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_627180511.pdb -s /var/tmp/to_scwrl_627180511.seq -o /var/tmp/from_scwrl_627180511.pdb > /var/tmp/scwrl_627180511.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_627180511.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS4-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1187113100.pdb -s /var/tmp/to_scwrl_1187113100.seq -o /var/tmp/from_scwrl_1187113100.pdb > /var/tmp/scwrl_1187113100.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1187113100.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 T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1665160998.pdb -s /var/tmp/to_scwrl_1665160998.seq -o /var/tmp/from_scwrl_1665160998.pdb > /var/tmp/scwrl_1665160998.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1665160998.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 T0324 can't currently be optimized by undertaker # naming current conformation FUGUE_AL2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_623446220.pdb -s /var/tmp/to_scwrl_623446220.seq -o /var/tmp/from_scwrl_623446220.pdb > /var/tmp/scwrl_623446220.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_623446220.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 T0324 can't currently be optimized by undertaker # naming current conformation FUGUE_AL3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1040199225.pdb -s /var/tmp/to_scwrl_1040199225.seq -o /var/tmp/from_scwrl_1040199225.pdb > /var/tmp/scwrl_1040199225.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1040199225.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 T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_639632049.pdb -s /var/tmp/to_scwrl_639632049.seq -o /var/tmp/from_scwrl_639632049.pdb > /var/tmp/scwrl_639632049.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_639632049.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 T0324 can't currently be optimized by undertaker # naming current conformation FUGUE_AL5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1733897592.pdb -s /var/tmp/to_scwrl_1733897592.seq -o /var/tmp/from_scwrl_1733897592.pdb > /var/tmp/scwrl_1733897592.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1733897592.pdb # conformation set from SCWRL output # naming current conformation FUGUE_AL5-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS1.pdb.gz looking for model 1 # Found a chain break before 205 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1773136124.pdb -s /var/tmp/to_scwrl_1773136124.seq -o /var/tmp/from_scwrl_1773136124.pdb > /var/tmp/scwrl_1773136124.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1773136124.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS1-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS2.pdb.gz looking for model 1 # Found a chain break before 200 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_61986631.pdb -s /var/tmp/to_scwrl_61986631.seq -o /var/tmp/from_scwrl_61986631.pdb > /var/tmp/scwrl_61986631.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_61986631.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS2-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS3.pdb.gz looking for model 1 # Found a chain break before 204 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1253552059.pdb -s /var/tmp/to_scwrl_1253552059.seq -o /var/tmp/from_scwrl_1253552059.pdb > /var/tmp/scwrl_1253552059.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1253552059.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS3-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS4.pdb.gz looking for model 1 # Found a chain break before 200 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1767788979.pdb -s /var/tmp/to_scwrl_1767788979.seq -o /var/tmp/from_scwrl_1767788979.pdb > /var/tmp/scwrl_1767788979.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1767788979.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS4-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS5.pdb.gz looking for model 1 # Found a chain break before 204 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1229066985.pdb -s /var/tmp/to_scwrl_1229066985.seq -o /var/tmp/from_scwrl_1229066985.pdb > /var/tmp/scwrl_1229066985.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1229066985.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS5-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS1.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1158472909.pdb -s /var/tmp/to_scwrl_1158472909.seq -o /var/tmp/from_scwrl_1158472909.pdb > /var/tmp/scwrl_1158472909.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1158472909.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS1-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS2.pdb.gz looking for model 1 # Found a chain break before 186 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1974925489.pdb -s /var/tmp/to_scwrl_1974925489.seq -o /var/tmp/from_scwrl_1974925489.pdb > /var/tmp/scwrl_1974925489.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1974925489.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS2-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS3.pdb.gz looking for model 1 # Found a chain break before 184 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1881314784.pdb -s /var/tmp/to_scwrl_1881314784.seq -o /var/tmp/from_scwrl_1881314784.pdb > /var/tmp/scwrl_1881314784.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1881314784.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS3-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS4.pdb.gz looking for model 1 # Found a chain break before 134 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_735083210.pdb -s /var/tmp/to_scwrl_735083210.seq -o /var/tmp/from_scwrl_735083210.pdb > /var/tmp/scwrl_735083210.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_735083210.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS4-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS5.pdb.gz looking for model 1 # Found a chain break before 186 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1651539251.pdb -s /var/tmp/to_scwrl_1651539251.seq -o /var/tmp/from_scwrl_1651539251.pdb > /var/tmp/scwrl_1651539251.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1651539251.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 191 # copying to AlignedFragments data structure # naming current conformation HHpred1_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1403512732.pdb -s /var/tmp/to_scwrl_1403512732.seq -o /var/tmp/from_scwrl_1403512732.pdb > /var/tmp/scwrl_1403512732.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1403512732.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 173 # copying to AlignedFragments data structure # naming current conformation HHpred2_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_334503973.pdb -s /var/tmp/to_scwrl_334503973.seq -o /var/tmp/from_scwrl_334503973.pdb > /var/tmp/scwrl_334503973.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_334503973.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 97 # copying to AlignedFragments data structure # naming current conformation HHpred3_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_2030546270.pdb -s /var/tmp/to_scwrl_2030546270.seq -o /var/tmp/from_scwrl_2030546270.pdb > /var/tmp/scwrl_2030546270.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2030546270.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 T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Huber-Torda-Server_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1421339371.pdb -s /var/tmp/to_scwrl_1421339371.seq -o /var/tmp/from_scwrl_1421339371.pdb > /var/tmp/scwrl_1421339371.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1421339371.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 T0324 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_889265523.pdb -s /var/tmp/to_scwrl_889265523.seq -o /var/tmp/from_scwrl_889265523.pdb > /var/tmp/scwrl_889265523.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_889265523.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 T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Huber-Torda-Server_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_985055160.pdb -s /var/tmp/to_scwrl_985055160.seq -o /var/tmp/from_scwrl_985055160.pdb > /var/tmp/scwrl_985055160.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_985055160.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 T0324 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_496454900.pdb -s /var/tmp/to_scwrl_496454900.seq -o /var/tmp/from_scwrl_496454900.pdb > /var/tmp/scwrl_496454900.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_496454900.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 T0324 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1311714246.pdb -s /var/tmp/to_scwrl_1311714246.seq -o /var/tmp/from_scwrl_1311714246.pdb > /var/tmp/scwrl_1311714246.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1311714246.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 T0324 can't currently be optimized by undertaker # naming current conformation LOOPP_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1635415289.pdb -s /var/tmp/to_scwrl_1635415289.seq -o /var/tmp/from_scwrl_1635415289.pdb > /var/tmp/scwrl_1635415289.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1635415289.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 T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation LOOPP_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1216589200.pdb -s /var/tmp/to_scwrl_1216589200.seq -o /var/tmp/from_scwrl_1216589200.pdb > /var/tmp/scwrl_1216589200.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1216589200.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 T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation LOOPP_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1927800063.pdb -s /var/tmp/to_scwrl_1927800063.seq -o /var/tmp/from_scwrl_1927800063.pdb > /var/tmp/scwrl_1927800063.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1927800063.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 T0324 can't currently be optimized by undertaker # naming current conformation LOOPP_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_184244480.pdb -s /var/tmp/to_scwrl_184244480.seq -o /var/tmp/from_scwrl_184244480.pdb > /var/tmp/scwrl_184244480.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_184244480.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 T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation LOOPP_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1195237033.pdb -s /var/tmp/to_scwrl_1195237033.seq -o /var/tmp/from_scwrl_1195237033.pdb > /var/tmp/scwrl_1195237033.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1195237033.pdb # conformation set from SCWRL output # naming current conformation LOOPP_TS5-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS1.pdb.gz looking for model 1 # Found a chain break before 182 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1743409601.pdb -s /var/tmp/to_scwrl_1743409601.seq -o /var/tmp/from_scwrl_1743409601.pdb > /var/tmp/scwrl_1743409601.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1743409601.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 129 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_811424991.pdb -s /var/tmp/to_scwrl_811424991.seq -o /var/tmp/from_scwrl_811424991.pdb > /var/tmp/scwrl_811424991.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_811424991.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 206 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_234866487.pdb -s /var/tmp/to_scwrl_234866487.seq -o /var/tmp/from_scwrl_234866487.pdb > /var/tmp/scwrl_234866487.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_234866487.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 192 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1261086952.pdb -s /var/tmp/to_scwrl_1261086952.seq -o /var/tmp/from_scwrl_1261086952.pdb > /var/tmp/scwrl_1261086952.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1261086952.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 184 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1434871210.pdb -s /var/tmp/to_scwrl_1434871210.seq -o /var/tmp/from_scwrl_1434871210.pdb > /var/tmp/scwrl_1434871210.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1434871210.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 123 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1275065711.pdb -s /var/tmp/to_scwrl_1275065711.seq -o /var/tmp/from_scwrl_1275065711.pdb > /var/tmp/scwrl_1275065711.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1275065711.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 129 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1900719001.pdb -s /var/tmp/to_scwrl_1900719001.seq -o /var/tmp/from_scwrl_1900719001.pdb > /var/tmp/scwrl_1900719001.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1900719001.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 192 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1021285156.pdb -s /var/tmp/to_scwrl_1021285156.seq -o /var/tmp/from_scwrl_1021285156.pdb > /var/tmp/scwrl_1021285156.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1021285156.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 155 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_900718189.pdb -s /var/tmp/to_scwrl_900718189.seq -o /var/tmp/from_scwrl_900718189.pdb > /var/tmp/scwrl_900718189.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_900718189.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 184 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1962705632.pdb -s /var/tmp/to_scwrl_1962705632.seq -o /var/tmp/from_scwrl_1962705632.pdb > /var/tmp/scwrl_1962705632.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1962705632.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 196 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_127353569.pdb -s /var/tmp/to_scwrl_127353569.seq -o /var/tmp/from_scwrl_127353569.pdb > /var/tmp/scwrl_127353569.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_127353569.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 205 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_521023521.pdb -s /var/tmp/to_scwrl_521023521.seq -o /var/tmp/from_scwrl_521023521.pdb > /var/tmp/scwrl_521023521.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_521023521.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 198 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1044288972.pdb -s /var/tmp/to_scwrl_1044288972.seq -o /var/tmp/from_scwrl_1044288972.pdb > /var/tmp/scwrl_1044288972.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1044288972.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 207 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1285826478.pdb -s /var/tmp/to_scwrl_1285826478.seq -o /var/tmp/from_scwrl_1285826478.pdb > /var/tmp/scwrl_1285826478.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1285826478.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 201 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_348465363.pdb -s /var/tmp/to_scwrl_348465363.seq -o /var/tmp/from_scwrl_348465363.pdb > /var/tmp/scwrl_348465363.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_348465363.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 T0324 can't currently be optimized by undertaker # naming current conformation NN_PUT_lab_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_778120109.pdb -s /var/tmp/to_scwrl_778120109.seq -o /var/tmp/from_scwrl_778120109.pdb > /var/tmp/scwrl_778120109.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_778120109.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 # naming current conformation PROTINFO-AB_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_2020909688.pdb -s /var/tmp/to_scwrl_2020909688.seq -o /var/tmp/from_scwrl_2020909688.pdb > /var/tmp/scwrl_2020909688.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2020909688.pdb # conformation set from SCWRL output # naming current conformation PROTINFO-AB_TS1-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS2.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_2000004615.pdb -s /var/tmp/to_scwrl_2000004615.seq -o /var/tmp/from_scwrl_2000004615.pdb > /var/tmp/scwrl_2000004615.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2000004615.pdb # conformation set from SCWRL output # naming current conformation PROTINFO-AB_TS2-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS3.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_34149194.pdb -s /var/tmp/to_scwrl_34149194.seq -o /var/tmp/from_scwrl_34149194.pdb > /var/tmp/scwrl_34149194.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_34149194.pdb # conformation set from SCWRL output # naming current conformation PROTINFO-AB_TS3-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS4.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_207930014.pdb -s /var/tmp/to_scwrl_207930014.seq -o /var/tmp/from_scwrl_207930014.pdb > /var/tmp/scwrl_207930014.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_207930014.pdb # conformation set from SCWRL output # naming current conformation PROTINFO-AB_TS4-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS5.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1883067238.pdb -s /var/tmp/to_scwrl_1883067238.seq -o /var/tmp/from_scwrl_1883067238.pdb > /var/tmp/scwrl_1883067238.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1883067238.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 193 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1455488566.pdb -s /var/tmp/to_scwrl_1455488566.seq -o /var/tmp/from_scwrl_1455488566.pdb > /var/tmp/scwrl_1455488566.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1455488566.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 173 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1097195537.pdb -s /var/tmp/to_scwrl_1097195537.seq -o /var/tmp/from_scwrl_1097195537.pdb > /var/tmp/scwrl_1097195537.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1097195537.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 202 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_720638751.pdb -s /var/tmp/to_scwrl_720638751.seq -o /var/tmp/from_scwrl_720638751.pdb > /var/tmp/scwrl_720638751.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_720638751.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 136 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1951943466.pdb -s /var/tmp/to_scwrl_1951943466.seq -o /var/tmp/from_scwrl_1951943466.pdb > /var/tmp/scwrl_1951943466.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1951943466.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 # naming current conformation PROTINFO_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_261426137.pdb -s /var/tmp/to_scwrl_261426137.seq -o /var/tmp/from_scwrl_261426137.pdb > /var/tmp/scwrl_261426137.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_261426137.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 T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Pcons6_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_208570393.pdb -s /var/tmp/to_scwrl_208570393.seq -o /var/tmp/from_scwrl_208570393.pdb > /var/tmp/scwrl_208570393.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_208570393.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 T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Pcons6_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1021049021.pdb -s /var/tmp/to_scwrl_1021049021.seq -o /var/tmp/from_scwrl_1021049021.pdb > /var/tmp/scwrl_1021049021.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1021049021.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 T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Pcons6_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_41742553.pdb -s /var/tmp/to_scwrl_41742553.seq -o /var/tmp/from_scwrl_41742553.pdb > /var/tmp/scwrl_41742553.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_41742553.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 T0324 can't currently be optimized by undertaker # naming current conformation Pcons6_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_392814873.pdb -s /var/tmp/to_scwrl_392814873.seq -o /var/tmp/from_scwrl_392814873.pdb > /var/tmp/scwrl_392814873.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_392814873.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 T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Pcons6_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_68802407.pdb -s /var/tmp/to_scwrl_68802407.seq -o /var/tmp/from_scwrl_68802407.pdb > /var/tmp/scwrl_68802407.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_68802407.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 T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-1_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1785152154.pdb -s /var/tmp/to_scwrl_1785152154.seq -o /var/tmp/from_scwrl_1785152154.pdb > /var/tmp/scwrl_1785152154.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1785152154.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 # Found a chain break before 194 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1204239863.pdb -s /var/tmp/to_scwrl_1204239863.seq -o /var/tmp/from_scwrl_1204239863.pdb > /var/tmp/scwrl_1204239863.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1204239863.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 207 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_303668894.pdb -s /var/tmp/to_scwrl_303668894.seq -o /var/tmp/from_scwrl_303668894.pdb > /var/tmp/scwrl_303668894.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_303668894.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS2-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_898755460.pdb -s /var/tmp/to_scwrl_898755460.seq -o /var/tmp/from_scwrl_898755460.pdb > /var/tmp/scwrl_898755460.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_898755460.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 ; scwrl3 -i /var/tmp/to_scwrl_491627428.pdb -s /var/tmp/to_scwrl_491627428.seq -o /var/tmp/from_scwrl_491627428.pdb > /var/tmp/scwrl_491627428.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_491627428.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 # Found a chain break before 207 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1578734605.pdb -s /var/tmp/to_scwrl_1578734605.seq -o /var/tmp/from_scwrl_1578734605.pdb > /var/tmp/scwrl_1578734605.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1578734605.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS5-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_651990814.pdb -s /var/tmp/to_scwrl_651990814.seq -o /var/tmp/from_scwrl_651990814.pdb > /var/tmp/scwrl_651990814.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_651990814.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 138 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1512912583.pdb -s /var/tmp/to_scwrl_1512912583.seq -o /var/tmp/from_scwrl_1512912583.pdb > /var/tmp/scwrl_1512912583.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1512912583.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS2-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS3.pdb.gz looking for model 1 # Found a chain break before 189 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_331969147.pdb -s /var/tmp/to_scwrl_331969147.seq -o /var/tmp/from_scwrl_331969147.pdb > /var/tmp/scwrl_331969147.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_331969147.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 # Found a chain break before 192 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_467212800.pdb -s /var/tmp/to_scwrl_467212800.seq -o /var/tmp/from_scwrl_467212800.pdb > /var/tmp/scwrl_467212800.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_467212800.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 T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1640266152.pdb -s /var/tmp/to_scwrl_1640266152.seq -o /var/tmp/from_scwrl_1640266152.pdb > /var/tmp/scwrl_1640266152.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1640266152.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 # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_852992669.pdb -s /var/tmp/to_scwrl_852992669.seq -o /var/tmp/from_scwrl_852992669.pdb > /var/tmp/scwrl_852992669.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_852992669.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 183 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1511501771.pdb -s /var/tmp/to_scwrl_1511501771.seq -o /var/tmp/from_scwrl_1511501771.pdb > /var/tmp/scwrl_1511501771.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1511501771.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 184 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_778608985.pdb -s /var/tmp/to_scwrl_778608985.seq -o /var/tmp/from_scwrl_778608985.pdb > /var/tmp/scwrl_778608985.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_778608985.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 # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1201458031.pdb -s /var/tmp/to_scwrl_1201458031.seq -o /var/tmp/from_scwrl_1201458031.pdb > /var/tmp/scwrl_1201458031.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1201458031.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 133 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_142138233.pdb -s /var/tmp/to_scwrl_142138233.seq -o /var/tmp/from_scwrl_142138233.pdb > /var/tmp/scwrl_142138233.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_142138233.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 139 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_652035026.pdb -s /var/tmp/to_scwrl_652035026.seq -o /var/tmp/from_scwrl_652035026.pdb > /var/tmp/scwrl_652035026.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_652035026.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 190 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1053979000.pdb -s /var/tmp/to_scwrl_1053979000.seq -o /var/tmp/from_scwrl_1053979000.pdb > /var/tmp/scwrl_1053979000.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1053979000.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 179 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_176287428.pdb -s /var/tmp/to_scwrl_176287428.seq -o /var/tmp/from_scwrl_176287428.pdb > /var/tmp/scwrl_176287428.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_176287428.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 204 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_859965041.pdb -s /var/tmp/to_scwrl_859965041.seq -o /var/tmp/from_scwrl_859965041.pdb > /var/tmp/scwrl_859965041.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_859965041.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 199 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_789562591.pdb -s /var/tmp/to_scwrl_789562591.seq -o /var/tmp/from_scwrl_789562591.pdb > /var/tmp/scwrl_789562591.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_789562591.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 191 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1631775994.pdb -s /var/tmp/to_scwrl_1631775994.seq -o /var/tmp/from_scwrl_1631775994.pdb > /var/tmp/scwrl_1631775994.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1631775994.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 182 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1957160578.pdb -s /var/tmp/to_scwrl_1957160578.seq -o /var/tmp/from_scwrl_1957160578.pdb > /var/tmp/scwrl_1957160578.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1957160578.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 186 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1510201341.pdb -s /var/tmp/to_scwrl_1510201341.seq -o /var/tmp/from_scwrl_1510201341.pdb > /var/tmp/scwrl_1510201341.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1510201341.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 201 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1436235813.pdb -s /var/tmp/to_scwrl_1436235813.seq -o /var/tmp/from_scwrl_1436235813.pdb > /var/tmp/scwrl_1436235813.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1436235813.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 199 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_71103068.pdb -s /var/tmp/to_scwrl_71103068.seq -o /var/tmp/from_scwrl_71103068.pdb > /var/tmp/scwrl_71103068.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_71103068.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 192 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1718771734.pdb -s /var/tmp/to_scwrl_1718771734.seq -o /var/tmp/from_scwrl_1718771734.pdb > /var/tmp/scwrl_1718771734.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1718771734.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 190 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_309801187.pdb -s /var/tmp/to_scwrl_309801187.seq -o /var/tmp/from_scwrl_309801187.pdb > /var/tmp/scwrl_309801187.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_309801187.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 189 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_112845622.pdb -s /var/tmp/to_scwrl_112845622.seq -o /var/tmp/from_scwrl_112845622.pdb > /var/tmp/scwrl_112845622.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_112845622.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 138 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_2111586607.pdb -s /var/tmp/to_scwrl_2111586607.seq -o /var/tmp/from_scwrl_2111586607.pdb > /var/tmp/scwrl_2111586607.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2111586607.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 138 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_378603594.pdb -s /var/tmp/to_scwrl_378603594.seq -o /var/tmp/from_scwrl_378603594.pdb > /var/tmp/scwrl_378603594.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_378603594.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 184 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1897997776.pdb -s /var/tmp/to_scwrl_1897997776.seq -o /var/tmp/from_scwrl_1897997776.pdb > /var/tmp/scwrl_1897997776.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1897997776.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 176 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1168342824.pdb -s /var/tmp/to_scwrl_1168342824.seq -o /var/tmp/from_scwrl_1168342824.pdb > /var/tmp/scwrl_1168342824.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1168342824.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 179 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_682272488.pdb -s /var/tmp/to_scwrl_682272488.seq -o /var/tmp/from_scwrl_682272488.pdb > /var/tmp/scwrl_682272488.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_682272488.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 186 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_649269590.pdb -s /var/tmp/to_scwrl_649269590.seq -o /var/tmp/from_scwrl_649269590.pdb > /var/tmp/scwrl_649269590.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_649269590.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 194 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1659970252.pdb -s /var/tmp/to_scwrl_1659970252.seq -o /var/tmp/from_scwrl_1659970252.pdb > /var/tmp/scwrl_1659970252.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1659970252.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 T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation SAM-T02_AL1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_113523446.pdb -s /var/tmp/to_scwrl_113523446.seq -o /var/tmp/from_scwrl_113523446.pdb > /var/tmp/scwrl_113523446.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_113523446.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 T0324 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1301260403.pdb -s /var/tmp/to_scwrl_1301260403.seq -o /var/tmp/from_scwrl_1301260403.pdb > /var/tmp/scwrl_1301260403.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1301260403.pdb # conformation set from SCWRL output # naming current conformation SAM-T02_AL2-scwrl # ReadConformPDB reading from PDB file servers/SAM-T02_AL3.pdb.gz looking for model 1 Skipped atom 294, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 296, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 298, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 300, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 346, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 348, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 350, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 352, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 366, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 368, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 370, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 372, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 374, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 376, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 378, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 380, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 654, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 656, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 658, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 660, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation SAM-T02_AL3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1025399189.pdb -s /var/tmp/to_scwrl_1025399189.seq -o /var/tmp/from_scwrl_1025399189.pdb > /var/tmp/scwrl_1025399189.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1025399189.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 30, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 32, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 34, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 36, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 94, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 96, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 98, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 100, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 202, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 204, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 206, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 208, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 470, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 472, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 474, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 476, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_445492594.pdb -s /var/tmp/to_scwrl_445492594.seq -o /var/tmp/from_scwrl_445492594.pdb > /var/tmp/scwrl_445492594.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_445492594.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 T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation SAM-T02_AL5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1768473203.pdb -s /var/tmp/to_scwrl_1768473203.seq -o /var/tmp/from_scwrl_1768473203.pdb > /var/tmp/scwrl_1768473203.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1768473203.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 Skipped atom 186, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL1.pdb.gz Skipped atom 188, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL1.pdb.gz Skipped atom 190, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL1.pdb.gz Skipped atom 192, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL1.pdb.gz Skipped atom 194, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL1.pdb.gz Skipped atom 196, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL1.pdb.gz Skipped atom 198, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL1.pdb.gz Skipped atom 200, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL1.pdb.gz Skipped atom 262, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL1.pdb.gz Skipped atom 264, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL1.pdb.gz Skipped atom 266, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL1.pdb.gz Skipped atom 268, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL1.pdb.gz # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_518181695.pdb -s /var/tmp/to_scwrl_518181695.seq -o /var/tmp/from_scwrl_518181695.pdb > /var/tmp/scwrl_518181695.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_518181695.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 T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation SAM-T99_AL2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1298485262.pdb -s /var/tmp/to_scwrl_1298485262.seq -o /var/tmp/from_scwrl_1298485262.pdb > /var/tmp/scwrl_1298485262.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1298485262.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL2-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL3.pdb.gz looking for model 1 Skipped atom 22, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 24, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 26, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 28, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 86, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 88, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 90, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 92, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 194, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 196, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 198, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 200, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 230, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 232, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 234, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 236, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 466, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 468, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 470, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 472, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1132491327.pdb -s /var/tmp/to_scwrl_1132491327.seq -o /var/tmp/from_scwrl_1132491327.pdb > /var/tmp/scwrl_1132491327.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1132491327.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 T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation SAM-T99_AL4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1296790679.pdb -s /var/tmp/to_scwrl_1296790679.seq -o /var/tmp/from_scwrl_1296790679.pdb > /var/tmp/scwrl_1296790679.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1296790679.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 Skipped atom 106, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz Skipped atom 108, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz Skipped atom 110, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz Skipped atom 112, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz Skipped atom 118, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz Skipped atom 120, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz Skipped atom 122, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz Skipped atom 124, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz Skipped atom 142, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz Skipped atom 144, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz Skipped atom 146, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz Skipped atom 148, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz Skipped atom 346, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz Skipped atom 348, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz Skipped atom 350, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz Skipped atom 352, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz Skipped atom 394, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz Skipped atom 396, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz Skipped atom 398, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz Skipped atom 400, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz Skipped atom 550, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz Skipped atom 552, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz Skipped atom 554, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz Skipped atom 556, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation SAM-T99_AL5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_352459647.pdb -s /var/tmp/to_scwrl_352459647.seq -o /var/tmp/from_scwrl_352459647.pdb > /var/tmp/scwrl_352459647.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_352459647.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 198 # copying to AlignedFragments data structure # naming current conformation SAM_T06_server_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1274629561.pdb -s /var/tmp/to_scwrl_1274629561.seq -o /var/tmp/from_scwrl_1274629561.pdb > /var/tmp/scwrl_1274629561.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1274629561.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 T0324 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1948825705.pdb -s /var/tmp/to_scwrl_1948825705.seq -o /var/tmp/from_scwrl_1948825705.pdb > /var/tmp/scwrl_1948825705.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1948825705.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 T0324 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1406438647.pdb -s /var/tmp/to_scwrl_1406438647.seq -o /var/tmp/from_scwrl_1406438647.pdb > /var/tmp/scwrl_1406438647.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1406438647.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 T0324 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1450916989.pdb -s /var/tmp/to_scwrl_1450916989.seq -o /var/tmp/from_scwrl_1450916989.pdb > /var/tmp/scwrl_1450916989.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1450916989.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 T0324 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_661307099.pdb -s /var/tmp/to_scwrl_661307099.seq -o /var/tmp/from_scwrl_661307099.pdb > /var/tmp/scwrl_661307099.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_661307099.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 185 # copying to AlignedFragments data structure # naming current conformation SP3_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_48517591.pdb -s /var/tmp/to_scwrl_48517591.seq -o /var/tmp/from_scwrl_48517591.pdb > /var/tmp/scwrl_48517591.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_48517591.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 184 # copying to AlignedFragments data structure # naming current conformation SP3_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_935209337.pdb -s /var/tmp/to_scwrl_935209337.seq -o /var/tmp/from_scwrl_935209337.pdb > /var/tmp/scwrl_935209337.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_935209337.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 185 # copying to AlignedFragments data structure # naming current conformation SP3_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_470984030.pdb -s /var/tmp/to_scwrl_470984030.seq -o /var/tmp/from_scwrl_470984030.pdb > /var/tmp/scwrl_470984030.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_470984030.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 118 # copying to AlignedFragments data structure # naming current conformation SP3_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1558718933.pdb -s /var/tmp/to_scwrl_1558718933.seq -o /var/tmp/from_scwrl_1558718933.pdb > /var/tmp/scwrl_1558718933.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1558718933.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 180 # copying to AlignedFragments data structure # naming current conformation SP3_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_223961503.pdb -s /var/tmp/to_scwrl_223961503.seq -o /var/tmp/from_scwrl_223961503.pdb > /var/tmp/scwrl_223961503.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_223961503.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 184 # copying to AlignedFragments data structure # naming current conformation SP4_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_542087099.pdb -s /var/tmp/to_scwrl_542087099.seq -o /var/tmp/from_scwrl_542087099.pdb > /var/tmp/scwrl_542087099.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_542087099.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 185 # copying to AlignedFragments data structure # naming current conformation SP4_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1130007020.pdb -s /var/tmp/to_scwrl_1130007020.seq -o /var/tmp/from_scwrl_1130007020.pdb > /var/tmp/scwrl_1130007020.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1130007020.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 172 # copying to AlignedFragments data structure # naming current conformation SP4_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_533762691.pdb -s /var/tmp/to_scwrl_533762691.seq -o /var/tmp/from_scwrl_533762691.pdb > /var/tmp/scwrl_533762691.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_533762691.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 118 # copying to AlignedFragments data structure # naming current conformation SP4_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_654932721.pdb -s /var/tmp/to_scwrl_654932721.seq -o /var/tmp/from_scwrl_654932721.pdb > /var/tmp/scwrl_654932721.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_654932721.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 182 # copying to AlignedFragments data structure # naming current conformation SP4_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1094109981.pdb -s /var/tmp/to_scwrl_1094109981.seq -o /var/tmp/from_scwrl_1094109981.pdb > /var/tmp/scwrl_1094109981.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1094109981.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 183 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_912366285.pdb -s /var/tmp/to_scwrl_912366285.seq -o /var/tmp/from_scwrl_912366285.pdb > /var/tmp/scwrl_912366285.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_912366285.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 185 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_405446850.pdb -s /var/tmp/to_scwrl_405446850.seq -o /var/tmp/from_scwrl_405446850.pdb > /var/tmp/scwrl_405446850.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_405446850.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 157 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_114969159.pdb -s /var/tmp/to_scwrl_114969159.seq -o /var/tmp/from_scwrl_114969159.pdb > /var/tmp/scwrl_114969159.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_114969159.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 182 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1594638773.pdb -s /var/tmp/to_scwrl_1594638773.seq -o /var/tmp/from_scwrl_1594638773.pdb > /var/tmp/scwrl_1594638773.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1594638773.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 190 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1054716440.pdb -s /var/tmp/to_scwrl_1054716440.seq -o /var/tmp/from_scwrl_1054716440.pdb > /var/tmp/scwrl_1054716440.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1054716440.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 T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation UNI-EID_bnmx_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1774939411.pdb -s /var/tmp/to_scwrl_1774939411.seq -o /var/tmp/from_scwrl_1774939411.pdb > /var/tmp/scwrl_1774939411.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1774939411.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 T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation UNI-EID_bnmx_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1708162219.pdb -s /var/tmp/to_scwrl_1708162219.seq -o /var/tmp/from_scwrl_1708162219.pdb > /var/tmp/scwrl_1708162219.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1708162219.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 T0324 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_208493197.pdb -s /var/tmp/to_scwrl_208493197.seq -o /var/tmp/from_scwrl_208493197.pdb > /var/tmp/scwrl_208493197.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_208493197.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 T0324 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_652854953.pdb -s /var/tmp/to_scwrl_652854953.seq -o /var/tmp/from_scwrl_652854953.pdb > /var/tmp/scwrl_652854953.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_652854953.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 T0324 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_6171166.pdb -s /var/tmp/to_scwrl_6171166.seq -o /var/tmp/from_scwrl_6171166.pdb > /var/tmp/scwrl_6171166.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_6171166.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 T0324 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 ; scwrl3 -i /var/tmp/to_scwrl_1976966400.pdb -s /var/tmp/to_scwrl_1976966400.seq -o /var/tmp/from_scwrl_1976966400.pdb > /var/tmp/scwrl_1976966400.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1976966400.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 T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation UNI-EID_sfst_AL1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1171036647.pdb -s /var/tmp/to_scwrl_1171036647.seq -o /var/tmp/from_scwrl_1171036647.pdb > /var/tmp/scwrl_1171036647.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1171036647.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 Skipped atom 34, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 36, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 38, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 40, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 98, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 100, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 102, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 104, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 202, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 204, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 206, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 208, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 474, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 476, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 478, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 480, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1304656428.pdb -s /var/tmp/to_scwrl_1304656428.seq -o /var/tmp/from_scwrl_1304656428.pdb > /var/tmp/scwrl_1304656428.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1304656428.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 T0324 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_961974082.pdb -s /var/tmp/to_scwrl_961974082.seq -o /var/tmp/from_scwrl_961974082.pdb > /var/tmp/scwrl_961974082.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_961974082.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 T0324 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_320343680.pdb -s /var/tmp/to_scwrl_320343680.seq -o /var/tmp/from_scwrl_320343680.pdb > /var/tmp/scwrl_320343680.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_320343680.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 Skipped atom 302, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 304, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 306, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 308, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 350, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 352, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 354, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 356, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 370, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 372, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 374, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 376, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 378, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 380, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 382, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 384, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 658, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 660, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 662, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 664, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation UNI-EID_sfst_AL5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1657116076.pdb -s /var/tmp/to_scwrl_1657116076.seq -o /var/tmp/from_scwrl_1657116076.pdb > /var/tmp/scwrl_1657116076.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1657116076.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 194 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_89119996.pdb -s /var/tmp/to_scwrl_89119996.seq -o /var/tmp/from_scwrl_89119996.pdb > /var/tmp/scwrl_89119996.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_89119996.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 184 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_121685739.pdb -s /var/tmp/to_scwrl_121685739.seq -o /var/tmp/from_scwrl_121685739.pdb > /var/tmp/scwrl_121685739.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_121685739.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 190 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_916071077.pdb -s /var/tmp/to_scwrl_916071077.seq -o /var/tmp/from_scwrl_916071077.pdb > /var/tmp/scwrl_916071077.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_916071077.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 206 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1540036985.pdb -s /var/tmp/to_scwrl_1540036985.seq -o /var/tmp/from_scwrl_1540036985.pdb > /var/tmp/scwrl_1540036985.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1540036985.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 190 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_782992838.pdb -s /var/tmp/to_scwrl_782992838.seq -o /var/tmp/from_scwrl_782992838.pdb > /var/tmp/scwrl_782992838.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_782992838.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 207 # copying to AlignedFragments data structure # naming current conformation beautshot_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_964588668.pdb -s /var/tmp/to_scwrl_964588668.seq -o /var/tmp/from_scwrl_964588668.pdb > /var/tmp/scwrl_964588668.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_964588668.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 # Found a chain break before 195 # copying to AlignedFragments data structure # naming current conformation beautshotbase_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_327762675.pdb -s /var/tmp/to_scwrl_327762675.seq -o /var/tmp/from_scwrl_327762675.pdb > /var/tmp/scwrl_327762675.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_327762675.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 Skipped atom 63, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL1.pdb.gz Skipped atom 64, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL1.pdb.gz Skipped atom 97, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL1.pdb.gz Skipped atom 606, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL1.pdb.gz Skipped atom 611, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL1.pdb.gz Skipped atom 732, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL1.pdb.gz # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation forecast-s_AL1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1253976868.pdb -s /var/tmp/to_scwrl_1253976868.seq -o /var/tmp/from_scwrl_1253976868.pdb > /var/tmp/scwrl_1253976868.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1253976868.pdb # conformation set from SCWRL output # naming current conformation forecast-s_AL1-scwrl # ReadConformPDB reading from PDB file servers/forecast-s_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # naming current conformation forecast-s_AL2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_375823954.pdb -s /var/tmp/to_scwrl_375823954.seq -o /var/tmp/from_scwrl_375823954.pdb > /var/tmp/scwrl_375823954.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_375823954.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 T0324 can't currently be optimized by undertaker # naming current conformation forecast-s_AL3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_551724178.pdb -s /var/tmp/to_scwrl_551724178.seq -o /var/tmp/from_scwrl_551724178.pdb > /var/tmp/scwrl_551724178.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_551724178.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 Skipped atom 62, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL4.pdb.gz Skipped atom 64, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL4.pdb.gz Skipped atom 66, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL4.pdb.gz Skipped atom 68, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL4.pdb.gz Skipped atom 82, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL4.pdb.gz Skipped atom 84, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL4.pdb.gz Skipped atom 86, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL4.pdb.gz Skipped atom 88, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL4.pdb.gz Skipped atom 210, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL4.pdb.gz Skipped atom 212, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL4.pdb.gz Skipped atom 214, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL4.pdb.gz Skipped atom 216, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL4.pdb.gz Skipped atom 774, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL4.pdb.gz Skipped atom 776, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL4.pdb.gz Skipped atom 778, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL4.pdb.gz Skipped atom 780, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL4.pdb.gz # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # naming current conformation forecast-s_AL4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1796063967.pdb -s /var/tmp/to_scwrl_1796063967.seq -o /var/tmp/from_scwrl_1796063967.pdb > /var/tmp/scwrl_1796063967.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1796063967.pdb # conformation set from SCWRL output # naming current conformation forecast-s_AL4-scwrl # ReadConformPDB reading from PDB file servers/forecast-s_AL5.pdb.gz looking for model 1 Skipped atom 38, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL5.pdb.gz Skipped atom 40, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL5.pdb.gz Skipped atom 42, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL5.pdb.gz Skipped atom 44, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL5.pdb.gz Skipped atom 242, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL5.pdb.gz Skipped atom 244, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL5.pdb.gz Skipped atom 246, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL5.pdb.gz Skipped atom 248, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL5.pdb.gz Skipped atom 262, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL5.pdb.gz Skipped atom 264, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL5.pdb.gz Skipped atom 266, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL5.pdb.gz Skipped atom 268, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL5.pdb.gz Skipped atom 530, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL5.pdb.gz Skipped atom 532, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL5.pdb.gz Skipped atom 534, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL5.pdb.gz Skipped atom 536, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL5.pdb.gz Skipped atom 642, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL5.pdb.gz Skipped atom 644, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL5.pdb.gz Skipped atom 646, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL5.pdb.gz Skipped atom 648, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL5.pdb.gz # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # naming current conformation forecast-s_AL5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1505830975.pdb -s /var/tmp/to_scwrl_1505830975.seq -o /var/tmp/from_scwrl_1505830975.pdb > /var/tmp/scwrl_1505830975.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1505830975.pdb # conformation set from SCWRL output # naming current conformation forecast-s_AL5-scwrl # ReadConformPDB reading from PDB file servers/gtg_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # naming current conformation gtg_AL4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1085486868.pdb -s /var/tmp/to_scwrl_1085486868.seq -o /var/tmp/from_scwrl_1085486868.pdb > /var/tmp/scwrl_1085486868.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1085486868.pdb # conformation set from SCWRL output # naming current conformation gtg_AL4-scwrl # ReadConformPDB reading from PDB file servers/gtg_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # naming current conformation gtg_AL5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_303513041.pdb -s /var/tmp/to_scwrl_303513041.seq -o /var/tmp/from_scwrl_303513041.pdb > /var/tmp/scwrl_303513041.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_303513041.pdb # conformation set from SCWRL output # naming current conformation gtg_AL5-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS1.pdb.gz looking for model 1 # Found a chain break before 204 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_452457310.pdb -s /var/tmp/to_scwrl_452457310.seq -o /var/tmp/from_scwrl_452457310.pdb > /var/tmp/scwrl_452457310.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_452457310.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 172 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1997853154.pdb -s /var/tmp/to_scwrl_1997853154.seq -o /var/tmp/from_scwrl_1997853154.pdb > /var/tmp/scwrl_1997853154.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1997853154.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 187 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_708959891.pdb -s /var/tmp/to_scwrl_708959891.seq -o /var/tmp/from_scwrl_708959891.pdb > /var/tmp/scwrl_708959891.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_708959891.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 191 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_567426469.pdb -s /var/tmp/to_scwrl_567426469.seq -o /var/tmp/from_scwrl_567426469.pdb > /var/tmp/scwrl_567426469.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_567426469.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 205 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1445008280.pdb -s /var/tmp/to_scwrl_1445008280.seq -o /var/tmp/from_scwrl_1445008280.pdb > /var/tmp/scwrl_1445008280.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1445008280.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: (T0324)T104.O and (T0324)S105.N only 0.000 apart, marking (T0324)S105.N as missing # WARNING: incomplete conformation T0324 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 ; scwrl3 -i /var/tmp/to_scwrl_1763676331.pdb -s /var/tmp/to_scwrl_1763676331.seq -o /var/tmp/from_scwrl_1763676331.pdb > /var/tmp/scwrl_1763676331.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1763676331.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS1-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS2.pdb.gz looking for model 1 # Found a chain break before 205 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_194882233.pdb -s /var/tmp/to_scwrl_194882233.seq -o /var/tmp/from_scwrl_194882233.pdb > /var/tmp/scwrl_194882233.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_194882233.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS2-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS3.pdb.gz looking for model 1 WARNING: atoms too close: (T0324)S129.O and (T0324)A130.N only 0.000 apart, marking (T0324)A130.N as missing # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1005686853.pdb -s /var/tmp/to_scwrl_1005686853.seq -o /var/tmp/from_scwrl_1005686853.pdb > /var/tmp/scwrl_1005686853.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1005686853.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: (T0324)A180.O and (T0324)V181.N only 0.000 apart, marking (T0324)V181.N as missing # WARNING: incomplete conformation T0324 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 ; scwrl3 -i /var/tmp/to_scwrl_1972169528.pdb -s /var/tmp/to_scwrl_1972169528.seq -o /var/tmp/from_scwrl_1972169528.pdb > /var/tmp/scwrl_1972169528.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1972169528.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: (T0324)T133.O and (T0324)P134.N only 0.000 apart, marking (T0324)P134.N as missing # WARNING: incomplete conformation T0324 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 ; scwrl3 -i /var/tmp/to_scwrl_847737186.pdb -s /var/tmp/to_scwrl_847737186.seq -o /var/tmp/from_scwrl_847737186.pdb > /var/tmp/scwrl_847737186.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_847737186.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 191 # copying to AlignedFragments data structure # naming current conformation karypis.srv_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1011858020.pdb -s /var/tmp/to_scwrl_1011858020.seq -o /var/tmp/from_scwrl_1011858020.pdb > /var/tmp/scwrl_1011858020.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1011858020.pdb # conformation set from SCWRL output # naming current conformation karypis.srv_TS1-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1801652281.pdb -s /var/tmp/to_scwrl_1801652281.seq -o /var/tmp/from_scwrl_1801652281.pdb > /var/tmp/scwrl_1801652281.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1801652281.pdb # conformation set from SCWRL output # naming current conformation karypis.srv_TS2-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0324 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 ; scwrl3 -i /var/tmp/to_scwrl_2018773834.pdb -s /var/tmp/to_scwrl_2018773834.seq -o /var/tmp/from_scwrl_2018773834.pdb > /var/tmp/scwrl_2018773834.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2018773834.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 # Found a chain break before 191 # copying to AlignedFragments data structure # naming current conformation karypis.srv_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_169030801.pdb -s /var/tmp/to_scwrl_169030801.seq -o /var/tmp/from_scwrl_169030801.pdb > /var/tmp/scwrl_169030801.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_169030801.pdb # conformation set from SCWRL output # naming current conformation karypis.srv_TS4-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS1.pdb.gz looking for model 1 # Found a chain break before 181 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_616142716.pdb -s /var/tmp/to_scwrl_616142716.seq -o /var/tmp/from_scwrl_616142716.pdb > /var/tmp/scwrl_616142716.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_616142716.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS1-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS2.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_191633867.pdb -s /var/tmp/to_scwrl_191633867.seq -o /var/tmp/from_scwrl_191633867.pdb > /var/tmp/scwrl_191633867.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_191633867.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 175 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1826146877.pdb -s /var/tmp/to_scwrl_1826146877.seq -o /var/tmp/from_scwrl_1826146877.pdb > /var/tmp/scwrl_1826146877.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1826146877.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 # Found a chain break before 190 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_705262712.pdb -s /var/tmp/to_scwrl_705262712.seq -o /var/tmp/from_scwrl_705262712.pdb > /var/tmp/scwrl_705262712.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_705262712.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 194 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_313319606.pdb -s /var/tmp/to_scwrl_313319606.seq -o /var/tmp/from_scwrl_313319606.pdb > /var/tmp/scwrl_313319606.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_313319606.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 T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation mGen-3D_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_594734307.pdb -s /var/tmp/to_scwrl_594734307.seq -o /var/tmp/from_scwrl_594734307.pdb > /var/tmp/scwrl_594734307.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_594734307.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 T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation nFOLD_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_97816050.pdb -s /var/tmp/to_scwrl_97816050.seq -o /var/tmp/from_scwrl_97816050.pdb > /var/tmp/scwrl_97816050.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_97816050.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 T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation nFOLD_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1096312444.pdb -s /var/tmp/to_scwrl_1096312444.seq -o /var/tmp/from_scwrl_1096312444.pdb > /var/tmp/scwrl_1096312444.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1096312444.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 T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation nFOLD_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1559322975.pdb -s /var/tmp/to_scwrl_1559322975.seq -o /var/tmp/from_scwrl_1559322975.pdb > /var/tmp/scwrl_1559322975.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1559322975.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 T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation nFOLD_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_425578725.pdb -s /var/tmp/to_scwrl_425578725.seq -o /var/tmp/from_scwrl_425578725.pdb > /var/tmp/scwrl_425578725.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_425578725.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 T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation nFOLD_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_202805666.pdb -s /var/tmp/to_scwrl_202805666.seq -o /var/tmp/from_scwrl_202805666.pdb > /var/tmp/scwrl_202805666.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_202805666.pdb # conformation set from SCWRL output # naming current conformation nFOLD_TS5-scwrl # ReadConformPDB reading from PDB file servers/panther2_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # naming current conformation panther2_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1935146929.pdb -s /var/tmp/to_scwrl_1935146929.seq -o /var/tmp/from_scwrl_1935146929.pdb > /var/tmp/scwrl_1935146929.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1935146929.pdb # conformation set from SCWRL output # naming current conformation panther2_TS1-scwrl # ReadConformPDB reading from PDB file servers/shub_TS1.pdb.gz looking for model 1 # Found a chain break before 203 # copying to AlignedFragments data structure # naming current conformation shub_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_977302904.pdb -s /var/tmp/to_scwrl_977302904.seq -o /var/tmp/from_scwrl_977302904.pdb > /var/tmp/scwrl_977302904.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_977302904.pdb # conformation set from SCWRL output # naming current conformation shub_TS1-scwrl # command:CPU_time= 34.9487 sec, elapsed time= 418.481 sec) # command:# Prefix for output files set to decoys/ # command:# Will now start reporting costs to decoys/evaluate_2.rdb # command:# CostConform Warning: Couldn't open file decoys//projects/compbio/experiments/undertaker/spots/near-backbone-center.spot or decoys//projects/compbio/experiments/undertaker/spots/near-backbone-center.spot.gz for input Trying /projects/compbio/experiments/undertaker/spots/near-backbone-center.spot # Reading spots from /projects/compbio/experiments/undertaker/spots/near-backbone-center.spot shub_TS1-scwrl costs 0 real_cost = 56.9354 shub_TS1 costs 0 real_cost = 46.5392 panther2_TS1-scwrl costs 0 real_cost = 139.083 panther2_TS1 costs 0 real_cost = 97.4585 nFOLD_TS5-scwrl costs 0 real_cost = 3.336 nFOLD_TS5 costs 0 real_cost = 122.851 nFOLD_TS4-scwrl costs 0 real_cost = 78.6019 nFOLD_TS4 costs 0 real_cost = 200.936 nFOLD_TS3-scwrl costs 0 real_cost = 64.6703 nFOLD_TS3 costs 0 real_cost = 64.6771 nFOLD_TS2-scwrl costs 0 real_cost = 130.169 nFOLD_TS2 costs 0 real_cost = 130.186 nFOLD_TS1-scwrl costs 0 real_cost = -98.6573 nFOLD_TS1 costs 0 real_cost = 13.5127 mGen-3D_TS1-scwrl costs 0 real_cost = 57.0373 mGen-3D_TS1 costs 0 real_cost = 57.0418 keasar-server_TS5-scwrl costs 0 real_cost = -107.188 keasar-server_TS5 costs 0 real_cost = -94.0236 keasar-server_TS4-scwrl costs 0 real_cost = -97.7964 keasar-server_TS4 costs 0 real_cost = -84.9352 keasar-server_TS3-scwrl costs 0 real_cost = -81.9929 keasar-server_TS3 costs 0 real_cost = -67.0557 keasar-server_TS2-scwrl costs 0 real_cost = 115.54 keasar-server_TS2 costs 0 real_cost = 123.306 keasar-server_TS1-scwrl costs 0 real_cost = 148.309 keasar-server_TS1 costs 0 real_cost = 157.835 karypis.srv_TS4-scwrl costs 0 real_cost = 110.825 karypis.srv_TS4 costs 0 real_cost = 110.911 karypis.srv_TS3-scwrl costs 0 real_cost = -84.7272 karypis.srv_TS3 costs 0 real_cost = -84.7272 karypis.srv_TS2-scwrl costs 0 real_cost = 122.214 karypis.srv_TS2 costs 0 real_cost = 122.214 karypis.srv_TS1-scwrl costs 0 real_cost = -150.93 karypis.srv_TS1 costs 0 real_cost = -150.93 karypis.srv.4_TS5-scwrl costs 0 real_cost = 148.198 karypis.srv.4_TS5 costs 0 real_cost = 150.234 karypis.srv.4_TS4-scwrl costs 0 real_cost = 148.293 karypis.srv.4_TS4 costs 0 real_cost = 148.293 karypis.srv.4_TS3-scwrl costs 0 real_cost = 227.314 karypis.srv.4_TS3 costs 0 real_cost = 227.451 karypis.srv.4_TS2-scwrl costs 0 real_cost = 304.07 karypis.srv.4_TS2 costs 0 real_cost = 304.07 karypis.srv.4_TS1-scwrl costs 0 real_cost = 221.309 karypis.srv.4_TS1 costs 0 real_cost = 221.309 karypis.srv.2_TS5-scwrl costs 0 real_cost = -122.878 karypis.srv.2_TS5 costs 0 real_cost = -122.878 karypis.srv.2_TS4-scwrl costs 0 real_cost = -196.299 karypis.srv.2_TS4 costs 0 real_cost = -196.299 karypis.srv.2_TS3-scwrl costs 0 real_cost = -99.7815 karypis.srv.2_TS3 costs 0 real_cost = -99.7815 karypis.srv.2_TS2-scwrl costs 0 real_cost = -105.261 karypis.srv.2_TS2 costs 0 real_cost = -105.261 karypis.srv.2_TS1-scwrl costs 0 real_cost = -112.889 karypis.srv.2_TS1 costs 0 real_cost = -112.889 gtg_AL5-scwrl costs 0 real_cost = 281.999 gtg_AL5 costs 0 real_cost = 432.677 gtg_AL4-scwrl costs 0 real_cost = 143.542 gtg_AL4 costs 0 real_cost = 276.663 forecast-s_AL5-scwrl costs 0 real_cost = 238.284 forecast-s_AL5 costs 0 real_cost = 358.412 forecast-s_AL4-scwrl costs 0 real_cost = 255.334 forecast-s_AL4 costs 0 real_cost = 376.673 forecast-s_AL3-scwrl costs 0 real_cost = 205.552 forecast-s_AL3 costs 0 real_cost = 302.237 forecast-s_AL2-scwrl costs 0 real_cost = 241.535 forecast-s_AL2 costs 0 real_cost = 339.825 forecast-s_AL1-scwrl costs 0 real_cost = 359.423 forecast-s_AL1 costs 0 real_cost = 505.897 beautshotbase_TS1-scwrl costs 0 real_cost = -121.527 beautshotbase_TS1 costs 0 real_cost = -120.501 beautshot_TS1-scwrl costs 0 real_cost = -91.1771 beautshot_TS1 costs 0 real_cost = -97.6804 Zhang-Server_TS5-scwrl costs 0 real_cost = 33.6297 Zhang-Server_TS5 costs 0 real_cost = 34.4795 Zhang-Server_TS4-scwrl costs 0 real_cost = -78.6858 Zhang-Server_TS4 costs 0 real_cost = -75.2091 Zhang-Server_TS3-scwrl costs 0 real_cost = 14.4041 Zhang-Server_TS3 costs 0 real_cost = 16.202 Zhang-Server_TS2-scwrl costs 0 real_cost = -180.409 Zhang-Server_TS2 costs 0 real_cost = -177.497 Zhang-Server_TS1-scwrl costs 0 real_cost = -198.423 Zhang-Server_TS1 costs 0 real_cost = -189.927 UNI-EID_sfst_AL5-scwrl costs 0 real_cost = -66.2309 UNI-EID_sfst_AL5 costs 0 real_cost = 89.5365 UNI-EID_sfst_AL4-scwrl costs 0 real_cost = -109.17 UNI-EID_sfst_AL4 costs 0 real_cost = 20.9804 UNI-EID_sfst_AL3-scwrl costs 0 real_cost = -134.075 UNI-EID_sfst_AL3 costs 0 real_cost = 4.67626 UNI-EID_sfst_AL2-scwrl costs 0 real_cost = -61.4653 UNI-EID_sfst_AL2 costs 0 real_cost = 88.3004 UNI-EID_sfst_AL1-scwrl costs 0 real_cost = -173.629 UNI-EID_sfst_AL1 costs 0 real_cost = -23.8547 UNI-EID_expm_TS1-scwrl costs 0 real_cost = -108.514 UNI-EID_expm_TS1 costs 0 real_cost = -108.494 UNI-EID_bnmx_TS5-scwrl costs 0 real_cost = -111.17 UNI-EID_bnmx_TS5 costs 0 real_cost = 20.1804 UNI-EID_bnmx_TS4-scwrl costs 0 real_cost = -81.2539 UNI-EID_bnmx_TS4 costs 0 real_cost = 50.0506 UNI-EID_bnmx_TS3-scwrl costs 0 real_cost = -134.075 UNI-EID_bnmx_TS3 costs 0 real_cost = 4.67626 UNI-EID_bnmx_TS2-scwrl costs 0 real_cost = -66.4653 UNI-EID_bnmx_TS2 costs 0 real_cost = 87.5004 UNI-EID_bnmx_TS1-scwrl costs 0 real_cost = -173.629 UNI-EID_bnmx_TS1 costs 0 real_cost = -23.8547 SPARKS2_TS5-scwrl costs 0 real_cost = -44.2054 SPARKS2_TS5 costs 0 real_cost = -37.6177 SPARKS2_TS4-scwrl costs 0 real_cost = 9.73823 SPARKS2_TS4 costs 0 real_cost = 19.6844 SPARKS2_TS3-scwrl costs 0 real_cost = -150.712 SPARKS2_TS3 costs 0 real_cost = -143.136 SPARKS2_TS2-scwrl costs 0 real_cost = -70.0111 SPARKS2_TS2 costs 0 real_cost = -58.1501 SPARKS2_TS1-scwrl costs 0 real_cost = -175.142 SPARKS2_TS1 costs 0 real_cost = -166.204 SP4_TS5-scwrl costs 0 real_cost = -198.095 SP4_TS5 costs 0 real_cost = -192.716 SP4_TS4-scwrl costs 0 real_cost = -42.87 SP4_TS4 costs 0 real_cost = -23.8152 SP4_TS3-scwrl costs 0 real_cost = -145.219 SP4_TS3 costs 0 real_cost = -135.284 SP4_TS2-scwrl costs 0 real_cost = -127.237 SP4_TS2 costs 0 real_cost = -121.175 SP4_TS1-scwrl costs 0 real_cost = -173.647 SP4_TS1 costs 0 real_cost = -175.209 SP3_TS5-scwrl costs 0 real_cost = -209.562 SP3_TS5 costs 0 real_cost = -200.899 SP3_TS4-scwrl costs 0 real_cost = -42.87 SP3_TS4 costs 0 real_cost = -23.8152 SP3_TS3-scwrl costs 0 real_cost = -159.121 SP3_TS3 costs 0 real_cost = -149.275 SP3_TS2-scwrl costs 0 real_cost = -173.647 SP3_TS2 costs 0 real_cost = -175.209 SP3_TS1-scwrl costs 0 real_cost = -70.0111 SP3_TS1 costs 0 real_cost = -58.1501 SAM_T06_server_TS5-scwrl costs 0 real_cost = 44.1999 SAM_T06_server_TS5 costs 0 real_cost = 50.4413 SAM_T06_server_TS4-scwrl costs 0 real_cost = -6.89087 SAM_T06_server_TS4 costs 0 real_cost = -47.7155 SAM_T06_server_TS3-scwrl costs 0 real_cost = 13.774 SAM_T06_server_TS3 costs 0 real_cost = -13.7776 SAM_T06_server_TS2-scwrl costs 0 real_cost = -137.459 SAM_T06_server_TS2 costs 0 real_cost = -187.184 SAM_T06_server_TS1-scwrl costs 0 real_cost = 104.087 SAM_T06_server_TS1 costs 0 real_cost = 105.267 SAM-T99_AL5-scwrl costs 0 real_cost = 4.09317 SAM-T99_AL5 costs 0 real_cost = 150.224 SAM-T99_AL4-scwrl costs 0 real_cost = -12.7865 SAM-T99_AL4 costs 0 real_cost = 136.124 SAM-T99_AL3-scwrl costs 0 real_cost = -24.3068 SAM-T99_AL3 costs 0 real_cost = 117.604 SAM-T99_AL2-scwrl costs 0 real_cost = -102.732 SAM-T99_AL2 costs 0 real_cost = 42.2742 SAM-T99_AL1-scwrl costs 0 real_cost = -17.0518 SAM-T99_AL1 costs 0 real_cost = 125.083 SAM-T02_AL5-scwrl costs 0 real_cost = 97.2145 SAM-T02_AL5 costs 0 real_cost = 257.435 SAM-T02_AL4-scwrl costs 0 real_cost = 18.4011 SAM-T02_AL4 costs 0 real_cost = 161.255 SAM-T02_AL3-scwrl costs 0 real_cost = 1.19707 SAM-T02_AL3 costs 0 real_cost = 151.898 SAM-T02_AL2-scwrl costs 0 real_cost = -108.325 SAM-T02_AL2 costs 0 real_cost = 22.862 SAM-T02_AL1-scwrl costs 0 real_cost = -31.7475 SAM-T02_AL1 costs 0 real_cost = 108.763 ROKKY_TS5-scwrl costs 0 real_cost = -236.195 ROKKY_TS5 costs 0 real_cost = -223.184 ROKKY_TS4-scwrl costs 0 real_cost = -77.3215 ROKKY_TS4 costs 0 real_cost = -62.9836 ROKKY_TS3-scwrl costs 0 real_cost = -203.284 ROKKY_TS3 costs 0 real_cost = -199.911 ROKKY_TS2-scwrl costs 0 real_cost = 5.22515 ROKKY_TS2 costs 0 real_cost = 7.14459 ROKKY_TS1-scwrl costs 0 real_cost = -117.06 ROKKY_TS1 costs 0 real_cost = -119.78 ROBETTA_TS5-scwrl costs 0 real_cost = -193.41 ROBETTA_TS5 costs 0 real_cost = -190.965 ROBETTA_TS4-scwrl costs 0 real_cost = -129.224 ROBETTA_TS4 costs 0 real_cost = -127.399 ROBETTA_TS3-scwrl costs 0 real_cost = -151.354 ROBETTA_TS3 costs 0 real_cost = -143.387 ROBETTA_TS2-scwrl costs 0 real_cost = -115.133 ROBETTA_TS2 costs 0 real_cost = -110.088 ROBETTA_TS1-scwrl costs 0 real_cost = -127.086 ROBETTA_TS1 costs 0 real_cost = -122.733 RAPTOR_TS5-scwrl costs 0 real_cost = -136.424 RAPTOR_TS5 costs 0 real_cost = -136.646 RAPTOR_TS4-scwrl costs 0 real_cost = -91.4267 RAPTOR_TS4 costs 0 real_cost = -73.0625 RAPTOR_TS3-scwrl costs 0 real_cost = -52.5188 RAPTOR_TS3 costs 0 real_cost = -41.8489 RAPTOR_TS2-scwrl costs 0 real_cost = -142.817 RAPTOR_TS2 costs 0 real_cost = -139.238 RAPTOR_TS1-scwrl costs 0 real_cost = -230.941 RAPTOR_TS1 costs 0 real_cost = -219.658 RAPTORESS_TS5-scwrl costs 0 real_cost = -136.154 RAPTORESS_TS5 costs 0 real_cost = -131.433 RAPTORESS_TS4-scwrl costs 0 real_cost = -92.0122 RAPTORESS_TS4 costs 0 real_cost = -75.5488 RAPTORESS_TS3-scwrl costs 0 real_cost = -37.7065 RAPTORESS_TS3 costs 0 real_cost = -32.7464 RAPTORESS_TS2-scwrl costs 0 real_cost = -119.025 RAPTORESS_TS2 costs 0 real_cost = -120.111 RAPTORESS_TS1-scwrl costs 0 real_cost = -227.845 RAPTORESS_TS1 costs 0 real_cost = -221.651 RAPTOR-ACE_TS5-scwrl costs 0 real_cost = 73.7253 RAPTOR-ACE_TS5 costs 0 real_cost = 74.4468 RAPTOR-ACE_TS4-scwrl costs 0 real_cost = -44.512 RAPTOR-ACE_TS4 costs 0 real_cost = -39.9747 RAPTOR-ACE_TS3-scwrl costs 0 real_cost = -173.647 RAPTOR-ACE_TS3 costs 0 real_cost = -175.209 RAPTOR-ACE_TS2-scwrl costs 0 real_cost = -113.87 RAPTOR-ACE_TS2 costs 0 real_cost = -109.066 RAPTOR-ACE_TS1-scwrl costs 0 real_cost = -230.179 RAPTOR-ACE_TS1 costs 0 real_cost = -230.698 Pmodeller6_TS5-scwrl costs 0 real_cost = -111.701 Pmodeller6_TS5 costs 0 real_cost = -111.701 Pmodeller6_TS4-scwrl costs 0 real_cost = -127.086 Pmodeller6_TS4 costs 0 real_cost = -122.733 Pmodeller6_TS3-scwrl costs 0 real_cost = -151.354 Pmodeller6_TS3 costs 0 real_cost = -143.387 Pmodeller6_TS2-scwrl costs 0 real_cost = -129.224 Pmodeller6_TS2 costs 0 real_cost = -127.399 Pmodeller6_TS1-scwrl costs 0 real_cost = -158.384 Pmodeller6_TS1 costs 0 real_cost = -158.384 Phyre-2_TS5-scwrl costs 0 real_cost = -143.583 Phyre-2_TS5 costs 0 real_cost = -139.263 Phyre-2_TS4-scwrl costs 0 real_cost = -163.796 Phyre-2_TS4 costs 0 real_cost = -160.964 Phyre-2_TS3-scwrl costs 0 real_cost = -136.583 Phyre-2_TS3 costs 0 real_cost = -132.263 Phyre-2_TS2-scwrl costs 0 real_cost = -143.583 Phyre-2_TS2 costs 0 real_cost = -139.263 Phyre-2_TS1-scwrl costs 0 real_cost = -143.583 Phyre-2_TS1 costs 0 real_cost = -139.263 Phyre-1_TS1-scwrl costs 0 real_cost = -28.9435 Phyre-1_TS1 costs 0 real_cost = -27.958 Pcons6_TS5-scwrl costs 0 real_cost = -101.765 Pcons6_TS5 costs 0 real_cost = -101.765 Pcons6_TS4-scwrl costs 0 real_cost = 2.06617 Pcons6_TS4 costs 0 real_cost = 0.413611 Pcons6_TS3-scwrl costs 0 real_cost = -111.701 Pcons6_TS3 costs 0 real_cost = -111.701 Pcons6_TS2-scwrl costs 0 real_cost = -107.194 Pcons6_TS2 costs 0 real_cost = -107.194 Pcons6_TS1-scwrl costs 0 real_cost = -100.972 Pcons6_TS1 costs 0 real_cost = -100.972 PROTINFO_TS5-scwrl costs 0 real_cost = -105.645 PROTINFO_TS5 costs 0 real_cost = -105.558 PROTINFO_TS4-scwrl costs 0 real_cost = 104.596 PROTINFO_TS4 costs 0 real_cost = 98.6607 PROTINFO_TS3-scwrl costs 0 real_cost = 158.786 PROTINFO_TS3 costs 0 real_cost = 163.054 PROTINFO_TS2-scwrl costs 0 real_cost = 119.082 PROTINFO_TS2 costs 0 real_cost = 118.706 PROTINFO_TS1-scwrl costs 0 real_cost = -116.691 PROTINFO_TS1 costs 0 real_cost = -116.317 PROTINFO-AB_TS5-scwrl costs 0 real_cost = 115.376 PROTINFO-AB_TS5 costs 0 real_cost = 117.687 PROTINFO-AB_TS4-scwrl costs 0 real_cost = 84.1107 PROTINFO-AB_TS4 costs 0 real_cost = 97.6849 PROTINFO-AB_TS3-scwrl costs 0 real_cost = -102.468 PROTINFO-AB_TS3 costs 0 real_cost = -102.741 PROTINFO-AB_TS2-scwrl costs 0 real_cost = -107.8 PROTINFO-AB_TS2 costs 0 real_cost = -100.846 PROTINFO-AB_TS1-scwrl costs 0 real_cost = -103.415 PROTINFO-AB_TS1 costs 0 real_cost = -108.14 NN_PUT_lab_TS1-scwrl costs 0 real_cost = -134.044 NN_PUT_lab_TS1 costs 0 real_cost = -136.138 MetaTasser_TS5-scwrl costs 0 real_cost = 23.4617 MetaTasser_TS5 costs 0 real_cost = 31.0333 MetaTasser_TS4-scwrl costs 0 real_cost = 74.595 MetaTasser_TS4 costs 0 real_cost = 77.7022 MetaTasser_TS3-scwrl costs 0 real_cost = -101.021 MetaTasser_TS3 costs 0 real_cost = -97.8417 MetaTasser_TS2-scwrl costs 0 real_cost = -120.906 MetaTasser_TS2 costs 0 real_cost = -114.007 MetaTasser_TS1-scwrl costs 0 real_cost = -199.989 MetaTasser_TS1 costs 0 real_cost = -194.951 Ma-OPUS-server_TS5-scwrl costs 0 real_cost = -125.238 Ma-OPUS-server_TS5 costs 0 real_cost = -119.281 Ma-OPUS-server_TS4-scwrl costs 0 real_cost = 81.6389 Ma-OPUS-server_TS4 costs 0 real_cost = 86.2283 Ma-OPUS-server_TS3-scwrl costs 0 real_cost = -110.809 Ma-OPUS-server_TS3 costs 0 real_cost = -100.744 Ma-OPUS-server_TS2-scwrl costs 0 real_cost = -107.817 Ma-OPUS-server_TS2 costs 0 real_cost = -96.6963 Ma-OPUS-server_TS1-scwrl costs 0 real_cost = -18.3425 Ma-OPUS-server_TS1 costs 0 real_cost = -8.38368 Ma-OPUS-server2_TS5-scwrl costs 0 real_cost = -128.351 Ma-OPUS-server2_TS5 costs 0 real_cost = -121.376 Ma-OPUS-server2_TS4-scwrl costs 0 real_cost = -110.809 Ma-OPUS-server2_TS4 costs 0 real_cost = -100.744 Ma-OPUS-server2_TS3-scwrl costs 0 real_cost = 83.6533 Ma-OPUS-server2_TS3 costs 0 real_cost = 83.9169 Ma-OPUS-server2_TS2-scwrl costs 0 real_cost = -107.817 Ma-OPUS-server2_TS2 costs 0 real_cost = -96.6963 Ma-OPUS-server2_TS1-scwrl costs 0 real_cost = 3.24638 Ma-OPUS-server2_TS1 costs 0 real_cost = 13.3706 LOOPP_TS5-scwrl costs 0 real_cost = -159.46 LOOPP_TS5 costs 0 real_cost = -146.538 LOOPP_TS4-scwrl costs 0 real_cost = -78.1527 LOOPP_TS4 costs 0 real_cost = -73.7476 LOOPP_TS3-scwrl costs 0 real_cost = -109.016 LOOPP_TS3 costs 0 real_cost = -104.344 LOOPP_TS2-scwrl costs 0 real_cost = -161.298 LOOPP_TS2 costs 0 real_cost = -153.413 LOOPP_TS1-scwrl costs 0 real_cost = -134.044 LOOPP_TS1 costs 0 real_cost = -136.138 Huber-Torda-Server_TS5-scwrl costs 0 real_cost = -137.138 Huber-Torda-Server_TS5 costs 0 real_cost = -30.3199 Huber-Torda-Server_TS4-scwrl costs 0 real_cost = -92.7854 Huber-Torda-Server_TS4 costs 0 real_cost = -27.3471 Huber-Torda-Server_TS3-scwrl costs 0 real_cost = -40.7131 Huber-Torda-Server_TS3 costs 0 real_cost = 74.7037 Huber-Torda-Server_TS2-scwrl costs 0 real_cost = -8.54777 Huber-Torda-Server_TS2 costs 0 real_cost = 71.6298 Huber-Torda-Server_TS1-scwrl costs 0 real_cost = -199.107 Huber-Torda-Server_TS1 costs 0 real_cost = -90.5007 HHpred3_TS1-scwrl costs 0 real_cost = -122.102 HHpred3_TS1 costs 0 real_cost = -110.856 HHpred2_TS1-scwrl costs 0 real_cost = -105.293 HHpred2_TS1 costs 0 real_cost = -102.365 HHpred1_TS1-scwrl costs 0 real_cost = -128.447 HHpred1_TS1 costs 0 real_cost = -123.746 GeneSilicoMetaServer_TS5-scwrl costs 0 real_cost = -161.361 GeneSilicoMetaServer_TS5 costs 0 real_cost = -152.444 GeneSilicoMetaServer_TS4-scwrl costs 0 real_cost = 74.6286 GeneSilicoMetaServer_TS4 costs 0 real_cost = 79.4729 GeneSilicoMetaServer_TS3-scwrl costs 0 real_cost = -102.047 GeneSilicoMetaServer_TS3 costs 0 real_cost = -104.009 GeneSilicoMetaServer_TS2-scwrl costs 0 real_cost = -99.7642 GeneSilicoMetaServer_TS2 costs 0 real_cost = -95.2617 GeneSilicoMetaServer_TS1-scwrl costs 0 real_cost = -51.9332 GeneSilicoMetaServer_TS1 costs 0 real_cost = -44.7776 FUNCTION_TS5-scwrl costs 0 real_cost = 4.89745 FUNCTION_TS5 costs 0 real_cost = 7.41671 FUNCTION_TS4-scwrl costs 0 real_cost = 31.4785 FUNCTION_TS4 costs 0 real_cost = 37.2899 FUNCTION_TS3-scwrl costs 0 real_cost = -119.364 FUNCTION_TS3 costs 0 real_cost = -113.652 FUNCTION_TS2-scwrl costs 0 real_cost = 19.6683 FUNCTION_TS2 costs 0 real_cost = 32.088 FUNCTION_TS1-scwrl costs 0 real_cost = -102.661 FUNCTION_TS1 costs 0 real_cost = -87.6751 FUGUE_AL5-scwrl costs 0 real_cost = 208.568 FUGUE_AL5 costs 0 real_cost = 342.594 FUGUE_AL4-scwrl costs 0 real_cost = -97.5966 FUGUE_AL4 costs 0 real_cost = 41.8658 FUGUE_AL3-scwrl costs 0 real_cost = 339.878 FUGUE_AL3 costs 0 real_cost = 478.938 FUGUE_AL2-scwrl costs 0 real_cost = -4.27769 FUGUE_AL2 costs 0 real_cost = 101.807 FUGUE_AL1-scwrl costs 0 real_cost = -81.2513 FUGUE_AL1 costs 0 real_cost = 52.9664 FUGMOD_TS5-scwrl costs 0 real_cost = 198.992 FUGMOD_TS5 costs 0 real_cost = 196.947 FUGMOD_TS4-scwrl costs 0 real_cost = -84.4509 FUGMOD_TS4 costs 0 real_cost = -90.8266 FUGMOD_TS3-scwrl costs 0 real_cost = 312.702 FUGMOD_TS3 costs 0 real_cost = 320.162 FUGMOD_TS2-scwrl costs 0 real_cost = -33.9316 FUGMOD_TS2 costs 0 real_cost = -33.1801 FUGMOD_TS1-scwrl costs 0 real_cost = -113.238 FUGMOD_TS1 costs 0 real_cost = -97.7547 FPSOLVER-SERVER_TS5-scwrl costs 0 real_cost = 141.844 FPSOLVER-SERVER_TS5 costs 0 real_cost = 142.151 FPSOLVER-SERVER_TS4-scwrl costs 0 real_cost = 173.572 FPSOLVER-SERVER_TS4 costs 0 real_cost = 180.293 FPSOLVER-SERVER_TS3-scwrl costs 0 real_cost = 167.291 FPSOLVER-SERVER_TS3 costs 0 real_cost = 174.939 FPSOLVER-SERVER_TS2-scwrl costs 0 real_cost = 79.9539 FPSOLVER-SERVER_TS2 costs 0 real_cost = 79.6874 FPSOLVER-SERVER_TS1-scwrl costs 0 real_cost = 212.343 FPSOLVER-SERVER_TS1 costs 0 real_cost = 215.19 FORTE2_AL5-scwrl costs 0 real_cost = -28.7383 FORTE2_AL5 costs 0 real_cost = 109.273 FORTE2_AL4-scwrl costs 0 real_cost = -98.2042 FORTE2_AL4 costs 0 real_cost = 51.6146 FORTE2_AL3-scwrl costs 0 real_cost = 122.122 FORTE2_AL3 costs 0 real_cost = 269.616 FORTE2_AL2-scwrl costs 0 real_cost = 94.7961 FORTE2_AL2 costs 0 real_cost = 94.7961 FORTE2_AL1-scwrl costs 0 real_cost = 61.6198 FORTE2_AL1 costs 0 real_cost = 221.227 FORTE1_AL5-scwrl costs 0 real_cost = -98.2042 FORTE1_AL5 costs 0 real_cost = 51.6146 FORTE1_AL4-scwrl costs 0 real_cost = 174.633 FORTE1_AL4 costs 0 real_cost = 324.59 FORTE1_AL3-scwrl costs 0 real_cost = 94.7961 FORTE1_AL3 costs 0 real_cost = 94.7961 FORTE1_AL2-scwrl costs 0 real_cost = 127.283 FORTE1_AL2 costs 0 real_cost = 276.628 FORTE1_AL1-scwrl costs 0 real_cost = 61.6198 FORTE1_AL1 costs 0 real_cost = 221.227 FOLDpro_TS5-scwrl costs 0 real_cost = 243.547 FOLDpro_TS5 costs 0 real_cost = 251.509 FOLDpro_TS4-scwrl costs 0 real_cost = 241.018 FOLDpro_TS4 costs 0 real_cost = 246.758 FOLDpro_TS3-scwrl costs 0 real_cost = 251.986 FOLDpro_TS3 costs 0 real_cost = 252.747 FOLDpro_TS2-scwrl costs 0 real_cost = 249.339 FOLDpro_TS2 costs 0 real_cost = 265.001 FOLDpro_TS1-scwrl costs 0 real_cost = -183.124 FOLDpro_TS1 costs 0 real_cost = -170.644 FAMS_TS5-scwrl costs 0 real_cost = -121.71 FAMS_TS5 costs 0 real_cost = -109.253 FAMS_TS4-scwrl costs 0 real_cost = -116.316 FAMS_TS4 costs 0 real_cost = -104.51 FAMS_TS3-scwrl costs 0 real_cost = -116.316 FAMS_TS3 costs 0 real_cost = -104.51 FAMS_TS2-scwrl costs 0 real_cost = -168.818 FAMS_TS2 costs 0 real_cost = -163.158 FAMS_TS1-scwrl costs 0 real_cost = -155.98 FAMS_TS1 costs 0 real_cost = -158.864 FAMSD_TS5-scwrl costs 0 real_cost = -121.71 FAMSD_TS5 costs 0 real_cost = -109.253 FAMSD_TS4-scwrl costs 0 real_cost = -112.554 FAMSD_TS4 costs 0 real_cost = -95.9396 FAMSD_TS3-scwrl costs 0 real_cost = -103.548 FAMSD_TS3 costs 0 real_cost = -87.4335 FAMSD_TS2-scwrl costs 0 real_cost = -106.589 FAMSD_TS2 costs 0 real_cost = -102.363 FAMSD_TS1-scwrl costs 0 real_cost = -116.316 FAMSD_TS1 costs 0 real_cost = -104.51 Distill_TS5-scwrl costs 0 real_cost = 388.941 Distill_TS4-scwrl costs 0 real_cost = 382.948 Distill_TS3-scwrl costs 0 real_cost = 394.325 Distill_TS2-scwrl costs 0 real_cost = 435.594 Distill_TS1-scwrl costs 0 real_cost = 391.05 CaspIta-FOX_TS5-scwrl costs 0 real_cost = -77.3006 CaspIta-FOX_TS5 costs 0 real_cost = -84.0733 CaspIta-FOX_TS4-scwrl costs 0 real_cost = -119.962 CaspIta-FOX_TS4 costs 0 real_cost = -125.166 CaspIta-FOX_TS3-scwrl costs 0 real_cost = 56.9897 CaspIta-FOX_TS3 costs 0 real_cost = 56.8091 CaspIta-FOX_TS2-scwrl costs 0 real_cost = 35.9899 CaspIta-FOX_TS2 costs 0 real_cost = 34.6417 CaspIta-FOX_TS1-scwrl costs 0 real_cost = -123.78 CaspIta-FOX_TS1 costs 0 real_cost = -126.167 CPHmodels_TS1-scwrl costs 0 real_cost = -70.429 CPHmodels_TS1 costs 0 real_cost = -57.9018 CIRCLE_TS5-scwrl costs 0 real_cost = -34.1981 CIRCLE_TS5 costs 0 real_cost = -19.4128 CIRCLE_TS4-scwrl costs 0 real_cost = -116.316 CIRCLE_TS4 costs 0 real_cost = -104.51 CIRCLE_TS3-scwrl costs 0 real_cost = -121.71 CIRCLE_TS3 costs 0 real_cost = -109.253 CIRCLE_TS2-scwrl costs 0 real_cost = -168.818 CIRCLE_TS2 costs 0 real_cost = -163.158 CIRCLE_TS1-scwrl costs 0 real_cost = -185.975 CIRCLE_TS1 costs 0 real_cost = -177.6 Bilab-ENABLE_TS5-scwrl costs 0 real_cost = -54.2289 Bilab-ENABLE_TS5 costs 0 real_cost = -54.1951 Bilab-ENABLE_TS4-scwrl costs 0 real_cost = -54.2289 Bilab-ENABLE_TS4 costs 0 real_cost = -54.1951 Bilab-ENABLE_TS3-scwrl costs 0 real_cost = -121.94 Bilab-ENABLE_TS3 costs 0 real_cost = -121.94 Bilab-ENABLE_TS2-scwrl costs 0 real_cost = -99.4965 Bilab-ENABLE_TS2 costs 0 real_cost = -99.4965 Bilab-ENABLE_TS1-scwrl costs 0 real_cost = -121.161 Bilab-ENABLE_TS1 costs 0 real_cost = -120.49 BayesHH_TS1-scwrl costs 0 real_cost = -110.678 BayesHH_TS1 costs 0 real_cost = -95.0168 ABIpro_TS5-scwrl costs 0 real_cost = 134.994 ABIpro_TS5 costs 0 real_cost = 134.928 ABIpro_TS4-scwrl costs 0 real_cost = 125.041 ABIpro_TS4 costs 0 real_cost = 126.631 ABIpro_TS3-scwrl costs 0 real_cost = 79.0334 ABIpro_TS3 costs 0 real_cost = 79.0334 ABIpro_TS2-scwrl costs 0 real_cost = 139.417 ABIpro_TS2 costs 0 real_cost = 139.392 ABIpro_TS1-scwrl costs 0 real_cost = 117.727 ABIpro_TS1 costs 0 real_cost = 117.727 3Dpro_TS5-scwrl costs 0 real_cost = 205.462 3Dpro_TS5 costs 0 real_cost = 208.878 3Dpro_TS4-scwrl costs 0 real_cost = 216.583 3Dpro_TS4 costs 0 real_cost = 223.889 3Dpro_TS3-scwrl costs 0 real_cost = 246.875 3Dpro_TS3 costs 0 real_cost = 244.545 3Dpro_TS2-scwrl costs 0 real_cost = 261.805 3Dpro_TS2 costs 0 real_cost = 265.909 3Dpro_TS1-scwrl costs 0 real_cost = -209.992 3Dpro_TS1 costs 0 real_cost = -203.454 3D-JIGSAW_TS5-scwrl costs 0 real_cost = -7.15978 3D-JIGSAW_TS5 costs 0 real_cost = -7.50119 3D-JIGSAW_TS4-scwrl costs 0 real_cost = -16.8735 3D-JIGSAW_TS4 costs 0 real_cost = -14.7438 3D-JIGSAW_TS3-scwrl costs 0 real_cost = -129.854 3D-JIGSAW_TS3 costs 0 real_cost = -124.386 3D-JIGSAW_TS2-scwrl costs 0 real_cost = -136.9 3D-JIGSAW_TS2 costs 0 real_cost = -140.154 3D-JIGSAW_TS1-scwrl costs 0 real_cost = -64.8105 3D-JIGSAW_TS1 costs 0 real_cost = -61.1861 3D-JIGSAW_RECOM_TS5-scwrl costs 0 real_cost = -7.64758 3D-JIGSAW_RECOM_TS5 costs 0 real_cost = -5.07122 3D-JIGSAW_RECOM_TS4-scwrl costs 0 real_cost = -6.83099 3D-JIGSAW_RECOM_TS4 costs 0 real_cost = -6.27732 3D-JIGSAW_RECOM_TS3-scwrl costs 0 real_cost = -16.5446 3D-JIGSAW_RECOM_TS3 costs 0 real_cost = -14.3635 3D-JIGSAW_RECOM_TS2-scwrl costs 0 real_cost = -101.998 3D-JIGSAW_RECOM_TS2 costs 0 real_cost = -103.845 3D-JIGSAW_RECOM_TS1-scwrl costs 0 real_cost = -128.294 3D-JIGSAW_RECOM_TS1 costs 0 real_cost = -131.078 3D-JIGSAW_POPULUS_TS5-scwrl costs 0 real_cost = -1.44615 3D-JIGSAW_POPULUS_TS5 costs 0 real_cost = -1.44615 3D-JIGSAW_POPULUS_TS4-scwrl costs 0 real_cost = 1.74945 3D-JIGSAW_POPULUS_TS4 costs 0 real_cost = 1.74945 3D-JIGSAW_POPULUS_TS3-scwrl costs 0 real_cost = -8.44882 3D-JIGSAW_POPULUS_TS3 costs 0 real_cost = -8.44882 3D-JIGSAW_POPULUS_TS2-scwrl costs 0 real_cost = -0.258375 3D-JIGSAW_POPULUS_TS2 costs 0 real_cost = -2.05837 3D-JIGSAW_POPULUS_TS1-scwrl costs 0 real_cost = -141.706 3D-JIGSAW_POPULUS_TS1 costs 0 real_cost = -145.706 T0324.try9-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -46.5915 T0324.try9-opt2.pdb.gz costs 0 real_cost = -46.9564 T0324.try9-opt2.gromacs0.pdb.gz costs 0 real_cost = -45.2805 T0324.try9-opt1.pdb.gz costs 0 real_cost = -48.2892 T0324.try9-opt1-scwrl.pdb.gz costs 0 real_cost = -47.7692 T0324.try8-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -102.454 T0324.try8-opt2.pdb.gz costs 0 real_cost = -103.078 T0324.try8-opt2.gromacs0.pdb.gz costs 0 real_cost = -103.693 T0324.try8-opt1.pdb.gz costs 0 real_cost = -104.31 T0324.try8-opt1-scwrl.pdb.gz costs 0 real_cost = -105.374 T0324.try7-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 92.0868 T0324.try7-opt2.pdb.gz costs 0 real_cost = 92.8757 T0324.try7-opt2.gromacs0.pdb.gz costs 0 real_cost = 91.9758 T0324.try7-opt1.pdb.gz costs 0 real_cost = 93.3367 T0324.try7-opt1-scwrl.pdb.gz costs 0 real_cost = 92.8611 T0324.try6-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -110.47 T0324.try6-opt2.pdb.gz costs 0 real_cost = -107.261 T0324.try6-opt2.gromacs0.pdb.gz costs 0 real_cost = -107.121 T0324.try6-opt1.pdb.gz costs 0 real_cost = -106.043 T0324.try6-opt1-scwrl.pdb.gz costs 0 real_cost = -106.96 T0324.try5-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -100.852 T0324.try5-opt2.pdb.gz costs 0 real_cost = -100.196 T0324.try5-opt2.gromacs0.pdb.gz costs 0 real_cost = -97.4986 T0324.try5-opt1.pdb.gz costs 0 real_cost = -102.096 T0324.try5-opt1-scwrl.pdb.gz costs 0 real_cost = -104.542 T0324.try4-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -103.446 T0324.try4-opt2.pdb.gz costs 0 real_cost = -103.1 T0324.try4-opt2.gromacs0.pdb.gz costs 0 real_cost = -105.008 T0324.try4-opt1.pdb.gz costs 0 real_cost = -103.919 T0324.try4-opt1-scwrl.pdb.gz costs 0 real_cost = -105.314 T0324.try3-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -103.161 T0324.try3-opt2.pdb.gz costs 0 real_cost = -104.364 T0324.try3-opt2.gromacs0.pdb.gz costs 0 real_cost = -103.901 T0324.try3-opt1.pdb.gz costs 0 real_cost = -106.567 T0324.try3-opt1-scwrl.pdb.gz costs 0 real_cost = -108.054 T0324.try2-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 93.6702 T0324.try2-opt2.pdb.gz costs 0 real_cost = 93.4271 T0324.try2-opt2.gromacs0.pdb.gz costs 0 real_cost = 93.8705 T0324.try2-opt1.pdb.gz costs 0 real_cost = 97.9783 T0324.try2-opt1-scwrl.pdb.gz costs 0 real_cost = 96.6524 T0324.try13-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -104.469 T0324.try13-opt2.pdb.gz costs 0 real_cost = -101.535 T0324.try13-opt2.gromacs0.pdb.gz costs 0 real_cost = -97.9634 T0324.try13-opt1.pdb.gz costs 0 real_cost = -99.9122 T0324.try13-opt1-scwrl.pdb.gz costs 0 real_cost = -104.185 T0324.try12-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -102.227 T0324.try12-opt2.pdb.gz costs 0 real_cost = -103.206 T0324.try12-opt2.gromacs0.pdb.gz costs 0 real_cost = -98.306 T0324.try12-opt1.pdb.gz costs 0 real_cost = -100.636 T0324.try12-opt1-scwrl.pdb.gz costs 0 real_cost = -102.538 T0324.try11-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -100.322 T0324.try11-opt2.pdb.gz costs 0 real_cost = -98.6942 T0324.try11-opt2.gromacs0.pdb.gz costs 0 real_cost = -97.7926 T0324.try11-opt1.pdb.gz costs 0 real_cost = -98.2862 T0324.try11-opt1-scwrl.pdb.gz costs 0 real_cost = -102.45 T0324.try10-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -101.433 T0324.try10-opt2.pdb.gz costs 0 real_cost = -100.824 T0324.try10-opt2.gromacs0.pdb.gz costs 0 real_cost = -100.11 T0324.try10-opt1.pdb.gz costs 0 real_cost = -99.239 T0324.try10-opt1-scwrl.pdb.gz costs 0 real_cost = -103.871 T0324.try1-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 102.033 T0324.try1-opt2.pdb.gz costs 0 real_cost = 104.049 T0324.try1-opt2.gromacs0.pdb.gz costs 0 real_cost = 100.679 T0324.try1-opt1.pdb.gz costs 0 real_cost = 104.142 T0324.try1-opt1-scwrl.pdb.gz costs 0 real_cost = 104.13 ../model5.ts-submitted costs 0 real_cost = -179.543 ../model4.ts-submitted costs 0 real_cost = 104.075 ../model3.ts-submitted costs 0 real_cost = -100.176 ../model2.ts-submitted costs 0 real_cost = -107.364 ../model1.ts-submitted costs 0 real_cost = -101.582 align5 costs 0 real_cost = 28.4716 align4 costs 0 real_cost = -7.03236 align3 costs 0 real_cost = -36.7778 align2 costs 0 real_cost = -60.6308 align1 costs 0 real_cost = -186.579 T0324.try1-opt2.pdb costs 0 real_cost = 104.049 model5-scwrl costs 0 real_cost = -129.272 model5.ts-submitted costs 0 real_cost = -179.543 model4-scwrl costs 0 real_cost = 102.005 model4.ts-submitted costs 0 real_cost = 104.075 model3-scwrl costs 0 real_cost = -105.85 model3.ts-submitted costs 0 real_cost = -100.176 model2-scwrl costs 0 real_cost = -114.567 model2.ts-submitted costs 0 real_cost = -107.364 model1-scwrl costs 0 real_cost = -105.412 model1.ts-submitted costs 0 real_cost = -101.582 T0324_2.real.pdb costs 0 real_cost = -667.6 # command:CPU_time= 91.868 sec, elapsed time= 475.636 sec) # command:rm -f sort.tmp /projects/compbio/bin/sorttbl real_cost < decoys/evaluate_2.rdb > sort.tmp mv -f sort.tmp decoys/evaluate_2.rdb mv -f decoys/evaluate_2.pretty decoys/evaluate_2.pretty.old mv: cannot stat `decoys/evaluate_2.pretty': No such file or directory make: [decoys/evaluate_2.pretty] Error 1 (ignored) /projects/compbio/experiments/protein-predict/casp7/scripts/prettyscore -terse -targpfx -decpoint < decoys/evaluate_2.rdb > decoys/evaluate_2.pretty