/projects/compbio/experiments/protein-predict/casp7/starter-directory/Make.main:725: SECONDARY_TARGET = T0325.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/T0325.} ;\ 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/T0325/ -e s/START_COL/1/ \ -e s/REAL_PDB/2i5iA/ \ -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 1175025460 # command:# Prefix for input files set to /projects/compbio/experiments/undertaker/atoms-inputs/ # command:# reading monomeric-50pc.atoms # trans (non-proline) backbone unit: # CA= -2.2088 1.0126 -0.0031 # O= -0.1499 2.2440 0.0017 # C= -0.6889 1.1368 0.0000 # N+1= 0.0000 0.0000 0.0000 # CA+1= 1.4581 0.0000 0.0000 # cis backbone unit: # CA= -0.1462 2.4515 0.0018 # O= -2.0272 0.9713 0.0022 # C= -0.8006 1.0755 0.0000 # N+1= 0.0000 0.0000 0.0000 # CA+1= 1.4659 0.0000 0.0000 # trans backbone unit before proline: # CA= -2.2099 1.0634 -0.0014 # O= -0.1233 2.2459 0.0075 # C= -0.6871 1.1518 0.0000 # N+1= 0.0000 0.0000 0.0000 # CA+1= 1.4660 0.0000 0.0000 # After reading monomeric-50pc.atoms have 448 chains in training database # Count of chains,residues,atoms: 448,112605,876684 # 109826 residues have no bad marker # 665 residues lack atoms needed to compute omega # 322 residues have cis peptide # number of each bad type: # NON_STANDARD_RESIDUE 6 # HAS_OXT 325 # TOO_MANY_ATOMS 1 # TOO_FEW_ATOMS 523 # HAS_UNKNOWN_ATOMS 2 # HAS_DUPLICATE_ATOMS 0 # CHAIN_BREAK_BEFORE 208 # NON_PLANAR_PEPTIDE 143 # BAD_PEPTIDE 1959 # Note: may sum to more than number of residues, # because one residue may have multiple problems # command:# Reading rotamer library from dunbrack-1332.rot # command:# Prefix for input files set to /projects/compbio/experiments/undertaker/spots/ # command:# ReadAtomType exp-pdb.types Read AtomType exp-pdb with 49 types. # command:# ReadClashTable exp-pdb-2191-2symm.clash # Read ClashTable exp-pdb-2191-2symm checking bonds symmetric at MaxSep 2 # command:# command:CPU_time= 5.81312 sec, elapsed time= 6.03761 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= 5.88811 sec, elapsed time= 6.30047 sec) # command:# Prefix for input files set to # command:# Making conformation for sequence T0325 numbered 1 through 262 Created new target T0325 from T0325.a2m # command:# command:# No conformations to remove in PopConform # command:# cleared Id set # command:# command:2i5iA expands to /projects/compbio/data/pdb/2i5i.pdb.gz 2i5iA:Skipped atom 113, because occupancy 5.0000000e-01 <= existing 0.500 in 2i5iA Skipped atom 115, because occupancy 0.500 <= existing 0.500 in 2i5iA Skipped atom 117, because occupancy 0.500 <= existing 0.500 in 2i5iA Skipped atom 119, because occupancy 0.500 <= existing 0.500 in 2i5iA Skipped atom 121, because occupancy 0.500 <= existing 0.500 in 2i5iA Skipped atom 123, because occupancy 0.500 <= existing 0.500 in 2i5iA Skipped atom 125, because occupancy 0.500 <= existing 0.500 in 2i5iA 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 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 1709, because occupancy 0.500 <= existing 0.500 in 2i5iA Skipped atom 1711, because occupancy 0.500 <= existing 0.500 in 2i5iA Skipped atom 1713, because occupancy 0.500 <= existing 0.500 in 2i5iA Skipped atom 1715, because occupancy 0.500 <= existing 0.500 in 2i5iA Skipped atom 1717, because occupancy 0.500 <= existing 0.500 in 2i5iA Skipped atom 1719, because occupancy 0.500 <= existing 0.500 in 2i5iA Skipped atom 1721, because occupancy 0.500 <= existing 0.500 in 2i5iA Skipped atom 1723, because occupancy 0.500 <= existing 0.500 in 2i5iA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Read 261 residues and 2036 atoms. # choosing archetypes in rotamer library # WARNING: incomplete conformation T0325 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= 10.0915 sec, elapsed time= 10.5763 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 242 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -34.4231 # GDT_score(maxd=8,maxw=2.9)= -33.4342 # GDT_score(maxd=8,maxw=3.2)= -30.92 # GDT_score(maxd=8,maxw=3.5)= -28.7972 # GDT_score(maxd=10,maxw=3.8)= -32.7631 # GDT_score(maxd=10,maxw=4)= -31.4273 # GDT_score(maxd=10,maxw=4.2)= -30.2001 # GDT_score(maxd=12,maxw=4.3)= -34.113 # GDT_score(maxd=12,maxw=4.5)= -32.8451 # GDT_score(maxd=12,maxw=4.7)= -31.6663 # GDT_score(maxd=14,maxw=5.2)= -32.4143 # GDT_score(maxd=14,maxw=5.5)= -30.8487 # command:# Prefix for output files set to # command:superimposing iter= 0 total_weight= 3070.000 rmsd (weighted)= 10.561 (unweighted)= 18.243 superimposing iter= 1 total_weight= 8718.477 rmsd (weighted)= 4.708 (unweighted)= 18.200 superimposing iter= 2 total_weight= 3296.408 rmsd (weighted)= 3.657 (unweighted)= 18.209 superimposing iter= 3 total_weight= 2280.745 rmsd (weighted)= 3.431 (unweighted)= 18.222 superimposing iter= 4 total_weight= 2124.504 rmsd (weighted)= 3.338 (unweighted)= 18.234 superimposing iter= 5 total_weight= 2068.466 rmsd (weighted)= 3.291 (unweighted)= 18.243 # command:# Prefix for output files set to decoys/ # command:# request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_574802721.pdb -s /var/tmp/to_scwrl_574802721.seq -o /var/tmp/from_scwrl_574802721.pdb > /var/tmp/scwrl_574802721.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_574802721.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 242 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -35.2885 # GDT_score(maxd=8,maxw=2.9)= -33.8057 # GDT_score(maxd=8,maxw=3.2)= -31.4169 # GDT_score(maxd=8,maxw=3.5)= -29.2811 # GDT_score(maxd=10,maxw=3.8)= -33.233 # GDT_score(maxd=10,maxw=4)= -31.841 # GDT_score(maxd=10,maxw=4.2)= -30.5293 # GDT_score(maxd=12,maxw=4.3)= -34.5244 # GDT_score(maxd=12,maxw=4.5)= -33.178 # GDT_score(maxd=12,maxw=4.7)= -31.9462 # GDT_score(maxd=14,maxw=5.2)= -32.6911 # GDT_score(maxd=14,maxw=5.5)= -31.1387 # command:# request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1712987579.pdb -s /var/tmp/to_scwrl_1712987579.seq -o /var/tmp/from_scwrl_1712987579.pdb > /var/tmp/scwrl_1712987579.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1712987579.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 242 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -36.7308 # GDT_score(maxd=8,maxw=2.9)= -35.5167 # GDT_score(maxd=8,maxw=3.2)= -32.944 # GDT_score(maxd=8,maxw=3.5)= -30.6523 # GDT_score(maxd=10,maxw=3.8)= -34.619 # GDT_score(maxd=10,maxw=4)= -33.1765 # GDT_score(maxd=10,maxw=4.2)= -31.8714 # GDT_score(maxd=12,maxw=4.3)= -35.8081 # GDT_score(maxd=12,maxw=4.5)= -34.473 # GDT_score(maxd=12,maxw=4.7)= -33.2516 # GDT_score(maxd=14,maxw=5.2)= -33.9545 # GDT_score(maxd=14,maxw=5.5)= -32.3717 # command:# request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1057962659.pdb -s /var/tmp/to_scwrl_1057962659.seq -o /var/tmp/from_scwrl_1057962659.pdb > /var/tmp/scwrl_1057962659.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1057962659.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 242 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -36.25 # GDT_score(maxd=8,maxw=2.9)= -35.0562 # GDT_score(maxd=8,maxw=3.2)= -32.5978 # GDT_score(maxd=8,maxw=3.5)= -30.4113 # GDT_score(maxd=10,maxw=3.8)= -34.2665 # GDT_score(maxd=10,maxw=4)= -32.888 # GDT_score(maxd=10,maxw=4.2)= -31.6026 # GDT_score(maxd=12,maxw=4.3)= -35.4872 # GDT_score(maxd=12,maxw=4.5)= -34.1688 # GDT_score(maxd=12,maxw=4.7)= -32.9603 # GDT_score(maxd=14,maxw=5.2)= -33.6617 # GDT_score(maxd=14,maxw=5.5)= -32.0851 # command:# request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1888559100.pdb -s /var/tmp/to_scwrl_1888559100.seq -o /var/tmp/from_scwrl_1888559100.pdb > /var/tmp/scwrl_1888559100.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1888559100.pdb # conformation set from SCWRL output # command:# naming current conformation model4-scwrl # command:# ReadConformPDB reading from PDB file model5.ts-submitted looking for model 1 # Found a chain break before 259 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -30.4808 # GDT_score(maxd=8,maxw=2.9)= -27.5883 # GDT_score(maxd=8,maxw=3.2)= -25.6305 # GDT_score(maxd=8,maxw=3.5)= -23.9398 # GDT_score(maxd=10,maxw=3.8)= -28.153 # GDT_score(maxd=10,maxw=4)= -27.0313 # GDT_score(maxd=10,maxw=4.2)= -25.9979 # GDT_score(maxd=12,maxw=4.3)= -30.1829 # GDT_score(maxd=12,maxw=4.5)= -29.0752 # GDT_score(maxd=12,maxw=4.7)= -28.0507 # GDT_score(maxd=14,maxw=5.2)= -29.4688 # GDT_score(maxd=14,maxw=5.5)= -28.0788 # command:# request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_707089745.pdb -s /var/tmp/to_scwrl_707089745.seq -o /var/tmp/from_scwrl_707089745.pdb > /var/tmp/scwrl_707089745.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_707089745.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 T0325.try1-opt2.pdb looking for model 1 # Found a chain break before 242 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -34.7115 # GDT_score(maxd=8,maxw=2.9)= -34.2284 # GDT_score(maxd=8,maxw=3.2)= -31.8098 # GDT_score(maxd=8,maxw=3.5)= -29.6359 # GDT_score(maxd=10,maxw=3.8)= -33.1965 # GDT_score(maxd=10,maxw=4)= -31.7949 # GDT_score(maxd=10,maxw=4.2)= -30.5007 # GDT_score(maxd=12,maxw=4.3)= -34.345 # GDT_score(maxd=12,maxw=4.5)= -33.0237 # GDT_score(maxd=12,maxw=4.7)= -31.8009 # GDT_score(maxd=14,maxw=5.2)= -32.4529 # GDT_score(maxd=14,maxw=5.5)= -30.8716 # command:# Prefix for output files set to # command:superimposing iter= 0 total_weight= 3070.000 rmsd (weighted)= 11.702 (unweighted)= 19.016 superimposing iter= 1 total_weight= 9172.331 rmsd (weighted)= 4.894 (unweighted)= 19.033 superimposing iter= 2 total_weight= 3949.308 rmsd (weighted)= 3.463 (unweighted)= 19.061 superimposing iter= 3 total_weight= 2383.481 rmsd (weighted)= 3.175 (unweighted)= 19.084 superimposing iter= 4 total_weight= 2185.843 rmsd (weighted)= 3.045 (unweighted)= 19.101 superimposing iter= 5 total_weight= 2118.815 rmsd (weighted)= 2.966 (unweighted)= 19.114 # command:# Prefix for output files set to decoys/ # command:# Prefix for input files set to # command:# ReadConformPDB reading from PDB file T0325.undertaker-align.pdb looking for model 1 WARNING: atoms too close: (T0325)V19.C and (T0325)K28.C only 0.000 apart, marking (T0325)K28.C as missing WARNING: atoms too close: (T0325)T20.N and (T0325)R29.N only 0.000 apart, marking (T0325)T20.N as missing WARNING: atoms too close: (T0325)T20.CA and (T0325)R29.CA only 0.000 apart, marking (T0325)T20.CA as missing WARNING: atoms too close: (T0325)I53.C and (T0325)A55.C only 0.000 apart, marking (T0325)A55.C as missing WARNING: atoms too close: (T0325)S54.N and (T0325)P56.N only 0.000 apart, marking (T0325)S54.N as missing WARNING: atoms too close: (T0325)S54.CA and (T0325)P56.CA only 0.000 apart, marking (T0325)S54.CA as missing WARNING: atoms too close: (T0325)H63.C and (T0325)K72.C only 0.000 apart, marking (T0325)K72.C as missing WARNING: atoms too close: (T0325)L64.N and (T0325)P73.N only 0.000 apart, marking (T0325)L64.N as missing WARNING: atoms too close: (T0325)L64.CA and (T0325)P73.CA only 0.000 apart, marking (T0325)L64.CA as missing WARNING: atoms too close: (T0325)R77.C and (T0325)D85.C only 0.000 apart, marking (T0325)D85.C as missing WARNING: atoms too close: (T0325)E78.N and (T0325)E86.N only 0.000 apart, marking (T0325)E78.N as missing WARNING: atoms too close: (T0325)E78.CA and (T0325)E86.CA only 0.000 apart, marking (T0325)E78.CA as missing WARNING: atoms too close: (T0325)Q93.C and (T0325)E97.C only 0.000 apart, marking (T0325)E97.C as missing WARNING: atoms too close: (T0325)S94.N and (T0325)E98.N only 0.000 apart, marking (T0325)S94.N as missing WARNING: atoms too close: (T0325)S94.CA and (T0325)E98.CA only 0.000 apart, marking (T0325)S94.CA as missing WARNING: atoms too close: (T0325)S160.C and (T0325)D165.C only 0.000 apart, marking (T0325)D165.C as missing WARNING: atoms too close: (T0325)I161.N and (T0325)Y166.N only 0.000 apart, marking (T0325)I161.N as missing WARNING: atoms too close: (T0325)I161.CA and (T0325)Y166.CA only 0.000 apart, marking (T0325)I161.CA as missing WARNING: atoms too close: (T0325)P214.C and (T0325)I217.C only 0.000 apart, marking (T0325)I217.C as missing WARNING: atoms too close: (T0325)A215.N and (T0325)D218.N only 0.000 apart, marking (T0325)A215.N as missing WARNING: atoms too close: (T0325)A215.CA and (T0325)D218.CA only 0.000 apart, marking (T0325)A215.CA as missing WARNING: atoms too close: (T0325)I220.C and (T0325)M229.C only 0.000 apart, marking (T0325)M229.C as missing WARNING: atoms too close: (T0325)L221.N and (T0325)P230.N only 0.000 apart, marking (T0325)L221.N as missing WARNING: atoms too close: (T0325)L221.CA and (T0325)P230.CA only 0.000 apart, marking (T0325)L221.CA as missing WARNING: atoms too close: (T0325)E236.C and (T0325)Q241.C only 0.000 apart, marking (T0325)Q241.C as missing WARNING: atoms too close: (T0325)I237.N and (T0325)E242.N only 0.000 apart, marking (T0325)I237.N as missing WARNING: atoms too close: (T0325)I237.CA and (T0325)E242.CA only 0.000 apart, marking (T0325)I237.CA as missing # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # command:# naming current conformation align1 # command:# fraction of real conformation used = 0.746154 # GDT_score = -39.3269 # GDT_score(maxd=8,maxw=2.9)= -39.6069 # GDT_score(maxd=8,maxw=3.2)= -37.4734 # GDT_score(maxd=8,maxw=3.5)= -35.485 # GDT_score(maxd=10,maxw=3.8)= -38.0992 # GDT_score(maxd=10,maxw=4)= -36.7948 # GDT_score(maxd=10,maxw=4.2)= -35.4975 # GDT_score(maxd=12,maxw=4.3)= -38.4585 # GDT_score(maxd=12,maxw=4.5)= -37.1562 # GDT_score(maxd=12,maxw=4.7)= -35.914 # GDT_score(maxd=14,maxw=5.2)= -35.7881 # GDT_score(maxd=14,maxw=5.5)= -34.09 # command:# ReadConformPDB reading from PDB file T0325.undertaker-align.pdb looking for model 2 WARNING: atoms too close: (T0325)D12.C and (T0325)F13.C only 0.000 apart, marking (T0325)F13.C as missing WARNING: atoms too close: (T0325)F13.N and (T0325)G14.N only 0.000 apart, marking (T0325)F13.N as missing WARNING: atoms too close: (T0325)F13.CA and (T0325)G14.CA only 0.000 apart, marking (T0325)F13.CA as missing WARNING: atoms too close: (T0325)A37.C and (T0325)L38.C only 0.000 apart, marking (T0325)L38.C as missing WARNING: atoms too close: (T0325)L38.N and (T0325)P39.N only 0.000 apart, marking (T0325)L38.N as missing WARNING: atoms too close: (T0325)L38.CA and (T0325)P39.CA only 0.000 apart, marking (T0325)L38.CA as missing WARNING: atoms too close: (T0325)I53.C and (T0325)A55.C only 0.000 apart, marking (T0325)A55.C as missing WARNING: atoms too close: (T0325)S54.N and (T0325)P56.N only 0.000 apart, marking (T0325)S54.N as missing WARNING: atoms too close: (T0325)S54.CA and (T0325)P56.CA only 0.000 apart, marking (T0325)S54.CA as missing WARNING: atoms too close: (T0325)H63.C and (T0325)I74.C only 0.000 apart, marking (T0325)I74.C as missing WARNING: atoms too close: (T0325)L64.N and (T0325)L75.N only 0.000 apart, marking (T0325)L64.N as missing WARNING: atoms too close: (T0325)L64.CA and (T0325)L75.CA only 0.000 apart, marking (T0325)L64.CA as missing WARNING: atoms too close: (T0325)P81.C and (T0325)E97.C only 0.000 apart, marking (T0325)E97.C as missing WARNING: atoms too close: (T0325)S82.N and (T0325)E98.N only 0.000 apart, marking (T0325)S82.N as missing WARNING: atoms too close: (T0325)S82.CA and (T0325)E98.CA only 0.000 apart, marking (T0325)S82.CA as missing WARNING: atoms too close: (T0325)I126.C and (T0325)N131.C only 0.000 apart, marking (T0325)N131.C as missing WARNING: atoms too close: (T0325)D127.N and (T0325)V132.N only 0.000 apart, marking (T0325)D127.N as missing WARNING: atoms too close: (T0325)D127.CA and (T0325)V132.CA only 0.000 apart, marking (T0325)D127.CA as missing WARNING: atoms too close: (T0325)S160.C and (T0325)Y170.C only 0.000 apart, marking (T0325)Y170.C as missing WARNING: atoms too close: (T0325)I161.N and (T0325)Q171.N only 0.000 apart, marking (T0325)I161.N as missing WARNING: atoms too close: (T0325)I161.CA and (T0325)Q171.CA only 0.000 apart, marking (T0325)I161.CA as missing WARNING: atoms too close: (T0325)L180.C and (T0325)E191.C only 0.000 apart, marking (T0325)E191.C as missing WARNING: atoms too close: (T0325)Y181.N and (T0325)T192.N only 0.000 apart, marking (T0325)Y181.N as missing WARNING: atoms too close: (T0325)Y181.CA and (T0325)T192.CA only 0.000 apart, marking (T0325)Y181.CA as missing WARNING: atoms too close: (T0325)I220.C and (T0325)V235.C only 0.000 apart, marking (T0325)V235.C as missing WARNING: atoms too close: (T0325)L221.N and (T0325)E236.N only 0.000 apart, marking (T0325)L221.N as missing WARNING: atoms too close: (T0325)L221.CA and (T0325)E236.CA only 0.000 apart, marking (T0325)L221.CA as missing WARNING: atoms too close: (T0325)T239.C and (T0325)Q241.C only 0.000 apart, marking (T0325)Q241.C as missing WARNING: atoms too close: (T0325)S240.N and (T0325)E242.N only 0.000 apart, marking (T0325)S240.N as missing WARNING: atoms too close: (T0325)S240.CA and (T0325)E242.CA only 0.000 apart, marking (T0325)S240.CA as missing # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # command:# naming current conformation align2 # command:# fraction of real conformation used = 0.711538 # GDT_score = -32.3077 # GDT_score(maxd=8,maxw=2.9)= -32.1666 # GDT_score(maxd=8,maxw=3.2)= -29.7745 # GDT_score(maxd=8,maxw=3.5)= -27.6808 # GDT_score(maxd=10,maxw=3.8)= -30.7224 # GDT_score(maxd=10,maxw=4)= -29.4203 # GDT_score(maxd=10,maxw=4.2)= -28.2172 # GDT_score(maxd=12,maxw=4.3)= -31.3892 # GDT_score(maxd=12,maxw=4.5)= -30.1754 # GDT_score(maxd=12,maxw=4.7)= -29.055 # GDT_score(maxd=14,maxw=5.2)= -29.2834 # GDT_score(maxd=14,maxw=5.5)= -27.8615 # command:# ReadConformPDB reading from PDB file T0325.undertaker-align.pdb looking for model 3 WARNING: atoms too close: (T0325)R52.C and (T0325)S54.C only 0.000 apart, marking (T0325)S54.C as missing WARNING: atoms too close: (T0325)I53.N and (T0325)A55.N only 0.000 apart, marking (T0325)I53.N as missing WARNING: atoms too close: (T0325)I53.CA and (T0325)A55.CA only 0.000 apart, marking (T0325)I53.CA as missing WARNING: atoms too close: (T0325)H63.C and (T0325)L66.C only 0.000 apart, marking (T0325)L66.C as missing WARNING: atoms too close: (T0325)L64.N and (T0325)T67.N only 0.000 apart, marking (T0325)L64.N as missing WARNING: atoms too close: (T0325)L64.CA and (T0325)T67.CA only 0.000 apart, marking (T0325)L64.CA as missing WARNING: atoms too close: (T0325)T67.C and (T0325)I74.C only 0.000 apart, marking (T0325)I74.C as missing WARNING: atoms too close: (T0325)L68.N and (T0325)L75.N only 0.000 apart, marking (T0325)L68.N as missing WARNING: atoms too close: (T0325)L68.CA and (T0325)L75.CA only 0.000 apart, marking (T0325)L68.CA as missing WARNING: atoms too close: (T0325)E78.C and (T0325)P81.C only 0.000 apart, marking (T0325)P81.C as missing WARNING: atoms too close: (T0325)M79.N and (T0325)S82.N only 0.000 apart, marking (T0325)M79.N as missing WARNING: atoms too close: (T0325)M79.CA and (T0325)S82.CA only 0.000 apart, marking (T0325)M79.CA as missing WARNING: atoms too close: (T0325)S128.C and (T0325)H129.C only 0.000 apart, marking (T0325)H129.C as missing WARNING: atoms too close: (T0325)H129.N and (T0325)H130.N only 0.000 apart, marking (T0325)H129.N as missing WARNING: atoms too close: (T0325)H129.CA and (T0325)H130.CA only 0.000 apart, marking (T0325)H129.CA as missing WARNING: atoms too close: (T0325)H133.C and (T0325)G134.C only 0.000 apart, marking (T0325)G134.C as missing WARNING: atoms too close: (T0325)G134.N and (T0325)K135.N only 0.000 apart, marking (T0325)G134.N as missing WARNING: atoms too close: (T0325)G134.CA and (T0325)K135.CA only 0.000 apart, marking (T0325)G134.CA as missing WARNING: atoms too close: (T0325)V142.C and (T0325)Q151.C only 0.000 apart, marking (T0325)Q151.C as missing WARNING: atoms too close: (T0325)A143.N and (T0325)L152.N only 0.000 apart, marking (T0325)A143.N as missing WARNING: atoms too close: (T0325)A143.CA and (T0325)L152.CA only 0.000 apart, marking (T0325)A143.CA as missing WARNING: atoms too close: (T0325)R159.C and (T0325)V173.C only 0.000 apart, marking (T0325)V173.C as missing WARNING: atoms too close: (T0325)S160.N and (T0325)R174.N only 0.000 apart, marking (T0325)S160.N as missing WARNING: atoms too close: (T0325)S160.CA and (T0325)R174.CA only 0.000 apart, marking (T0325)S160.CA as missing WARNING: atoms too close: (T0325)D177.C and (T0325)Q182.C only 0.000 apart, marking (T0325)Q182.C as missing WARNING: atoms too close: (T0325)E178.N and (T0325)F183.N only 0.000 apart, marking (T0325)E178.N as missing WARNING: atoms too close: (T0325)E178.CA and (T0325)F183.CA only 0.000 apart, marking (T0325)E178.CA as missing WARNING: atoms too close: (T0325)T219.C and (T0325)C228.C only 0.000 apart, marking (T0325)C228.C as missing WARNING: atoms too close: (T0325)I220.N and (T0325)M229.N only 0.000 apart, marking (T0325)I220.N as missing WARNING: atoms too close: (T0325)I220.CA and (T0325)M229.CA only 0.000 apart, marking (T0325)I220.CA as missing WARNING: atoms too close: (T0325)E236.C and (T0325)Q241.C only 0.000 apart, marking (T0325)Q241.C as missing WARNING: atoms too close: (T0325)I237.N and (T0325)E242.N only 0.000 apart, marking (T0325)I237.N as missing WARNING: atoms too close: (T0325)I237.CA and (T0325)E242.CA only 0.000 apart, marking (T0325)I237.CA as missing # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # command:# naming current conformation align3 # command:# ReadConformPDB reading from PDB file T0325.undertaker-align.pdb looking for model 4 WARNING: atoms too close: (T0325)L68.C and (T0325)N69.C only 0.000 apart, marking (T0325)N69.C as missing WARNING: atoms too close: (T0325)N69.N and (T0325)Q70.N only 0.000 apart, marking (T0325)N69.N as missing WARNING: atoms too close: (T0325)N69.CA and (T0325)Q70.CA only 0.000 apart, marking (T0325)N69.CA as missing WARNING: atoms too close: (T0325)H92.C and (T0325)E97.C only 0.000 apart, marking (T0325)E97.C as missing WARNING: atoms too close: (T0325)Q93.N and (T0325)E98.N only 0.000 apart, marking (T0325)Q93.N as missing WARNING: atoms too close: (T0325)Q93.CA and (T0325)E98.CA only 0.000 apart, marking (T0325)Q93.CA as missing WARNING: atoms too close: (T0325)A111.C and (T0325)S115.C only 0.000 apart, marking (T0325)S115.C as missing WARNING: atoms too close: (T0325)Q112.N and (T0325)F116.N only 0.000 apart, marking (T0325)Q112.N as missing WARNING: atoms too close: (T0325)Q112.CA and (T0325)F116.CA only 0.000 apart, marking (T0325)Q112.CA as missing WARNING: atoms too close: (T0325)S128.C and (T0325)G134.C only 0.000 apart, marking (T0325)G134.C as missing WARNING: atoms too close: (T0325)H129.N and (T0325)K135.N only 0.000 apart, marking (T0325)H129.N as missing WARNING: atoms too close: (T0325)H129.CA and (T0325)K135.CA only 0.000 apart, marking (T0325)H129.CA as missing WARNING: atoms too close: (T0325)K137.C and (T0325)L139.C only 0.000 apart, marking (T0325)L139.C as missing WARNING: atoms too close: (T0325)K138.N and (T0325)L140.N only 0.000 apart, marking (T0325)K138.N as missing WARNING: atoms too close: (T0325)K138.CA and (T0325)L140.CA only 0.000 apart, marking (T0325)K138.CA as missing WARNING: atoms too close: (T0325)E191.C and (T0325)Q195.C only 0.000 apart, marking (T0325)Q195.C as missing WARNING: atoms too close: (T0325)T192.N and (T0325)L196.N only 0.000 apart, marking (T0325)T192.N as missing WARNING: atoms too close: (T0325)T192.CA and (T0325)L196.CA only 0.000 apart, marking (T0325)T192.CA as missing WARNING: atoms too close: (T0325)E204.C and (T0325)V207.C only 0.000 apart, marking (T0325)V207.C as missing WARNING: atoms too close: (T0325)G205.N and (T0325)F208.N only 0.000 apart, marking (T0325)G205.N as missing WARNING: atoms too close: (T0325)G205.CA and (T0325)F208.CA only 0.000 apart, marking (T0325)G205.CA as missing WARNING: atoms too close: (T0325)M229.C and (T0325)E236.C only 0.000 apart, marking (T0325)E236.C as missing WARNING: atoms too close: (T0325)P230.N and (T0325)I237.N only 0.000 apart, marking (T0325)P230.N as missing WARNING: atoms too close: (T0325)P230.CA and (T0325)I237.CA only 0.000 apart, marking (T0325)P230.CA as missing # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # command:# naming current conformation align4 # command:# ReadConformPDB reading from PDB file T0325.undertaker-align.pdb looking for model 5 WARNING: atoms too close: (T0325)I24.C and (T0325)G30.C only 0.000 apart, marking (T0325)G30.C as missing WARNING: atoms too close: (T0325)E25.N and (T0325)V31.N only 0.000 apart, marking (T0325)E25.N as missing WARNING: atoms too close: (T0325)E25.CA and (T0325)V31.CA only 0.000 apart, marking (T0325)E25.CA as missing WARNING: atoms too close: (T0325)R52.C and (T0325)I53.C only 0.000 apart, marking (T0325)I53.C as missing WARNING: atoms too close: (T0325)I53.N and (T0325)S54.N only 0.000 apart, marking (T0325)I53.N as missing WARNING: atoms too close: (T0325)I53.CA and (T0325)S54.CA only 0.000 apart, marking (T0325)I53.CA as missing WARNING: atoms too close: (T0325)A55.C and (T0325)P56.C only 0.000 apart, marking (T0325)P56.C as missing WARNING: atoms too close: (T0325)P56.N and (T0325)T57.N only 0.000 apart, marking (T0325)P56.N as missing WARNING: atoms too close: (T0325)P56.CA and (T0325)T57.CA only 0.000 apart, marking (T0325)P56.CA as missing WARNING: atoms too close: (T0325)H63.C and (T0325)K72.C only 0.000 apart, marking (T0325)K72.C as missing WARNING: atoms too close: (T0325)L64.N and (T0325)P73.N only 0.000 apart, marking (T0325)L64.N as missing WARNING: atoms too close: (T0325)L64.CA and (T0325)P73.CA only 0.000 apart, marking (T0325)L64.CA as missing WARNING: atoms too close: (T0325)H133.C and (T0325)G134.C only 0.000 apart, marking (T0325)G134.C as missing WARNING: atoms too close: (T0325)G134.N and (T0325)K135.N only 0.000 apart, marking (T0325)G134.N as missing WARNING: atoms too close: (T0325)G134.CA and (T0325)K135.CA only 0.000 apart, marking (T0325)G134.CA as missing WARNING: atoms too close: (T0325)K186.C and (T0325)A187.C only 0.000 apart, marking (T0325)A187.C as missing WARNING: atoms too close: (T0325)A187.N and (T0325)I188.N only 0.000 apart, marking (T0325)A187.N as missing WARNING: atoms too close: (T0325)A187.CA and (T0325)I188.CA only 0.000 apart, marking (T0325)A187.CA as missing WARNING: atoms too close: (T0325)I220.C and (T0325)C228.C only 0.000 apart, marking (T0325)C228.C as missing WARNING: atoms too close: (T0325)L221.N and (T0325)M229.N only 0.000 apart, marking (T0325)L221.N as missing WARNING: atoms too close: (T0325)L221.CA and (T0325)M229.CA only 0.000 apart, marking (T0325)L221.CA as missing WARNING: atoms too close: (T0325)I232.C and (T0325)Q241.C only 0.000 apart, marking (T0325)Q241.C as missing WARNING: atoms too close: (T0325)R233.N and (T0325)E242.N only 0.000 apart, marking (T0325)R233.N as missing WARNING: atoms too close: (T0325)R233.CA and (T0325)E242.CA only 0.000 apart, marking (T0325)R233.CA as missing # WARNING: incomplete conformation T0325 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 242 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model2.ts-submitted looking for model 1 # Found a chain break before 242 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model3.ts-submitted looking for model 1 # Found a chain break before 242 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model4.ts-submitted looking for model 1 # Found a chain break before 242 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model5.ts-submitted looking for model 1 # Found a chain break before 259 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try1-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 242 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try1-opt1.pdb.gz looking for model 1 # Found a chain break before 242 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try1-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 237 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try1-opt2.pdb.gz looking for model 1 # Found a chain break before 242 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try1-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 242 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try10-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 251 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try10-opt1.pdb.gz looking for model 1 # Found a chain break before 251 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try10-opt2.gromacs0.pdb.gz looking for model 1 Error: Reading chain from PDB file T0325.try10-opt2.gromacs0.pdb.gz failed. # ReadConformPDB reading from PDB file T0325.try10-opt2.pdb.gz looking for model 1 # Found a chain break before 251 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try10-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 251 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try11-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 250 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try11-opt1.pdb.gz looking for model 1 # Found a chain break before 250 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try11-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 251 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try11-opt2.pdb.gz looking for model 1 # Found a chain break before 261 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try11-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 261 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try12-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 251 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try12-opt1.pdb.gz looking for model 1 # Found a chain break before 251 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try12-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 259 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try12-opt2.pdb.gz looking for model 1 # Found a chain break before 259 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try12-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 259 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try13-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 242 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try13-opt1.pdb.gz looking for model 1 # Found a chain break before 242 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try13-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 241 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try13-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 241 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try13-opt2.pdb.gz looking for model 1 # Found a chain break before 242 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try13-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 242 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try14-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 240 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try14-opt1.pdb.gz looking for model 1 # Found a chain break before 240 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try14-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 226 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try14-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 226 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try14-opt2.pdb.gz looking for model 1 # Found a chain break before 253 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try14-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 253 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try15-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 242 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try15-opt1.pdb.gz looking for model 1 # Found a chain break before 242 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try15-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 255 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try15-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 255 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try15-opt2.pdb.gz looking for model 1 # Found a chain break before 242 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try15-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 242 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try16-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 242 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try16-opt1-scwrl.pdb.original.gz looking for model 1 # Found a chain break before 242 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try16-opt1.pdb.gz looking for model 1 # Found a chain break before 242 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try16-opt1.pdb.original.gz looking for model 1 # Found a chain break before 242 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try16-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 236 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try16-opt2.gromacs0.pdb.original.gz looking for model 1 # Found a chain break before 236 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try16-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 236 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try16-opt2.gromacs0.repack-nonPC.pdb.original.gz looking for model 1 # Found a chain break before 236 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try16-opt2.pdb.gz looking for model 1 # Found a chain break before 242 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try16-opt2.pdb.original.gz looking for model 1 # Found a chain break before 242 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try16-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 242 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try16-opt2.repack-nonPC.pdb.original.gz looking for model 1 # Found a chain break before 242 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try17-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 242 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try17-opt1.pdb.gz looking for model 1 # Found a chain break before 242 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try17-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 236 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try17-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 236 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try17-opt2.pdb.gz looking for model 1 # Found a chain break before 242 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try17-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 242 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try18-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 255 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try18-opt1.pdb.gz looking for model 1 # Found a chain break before 255 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try18-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 261 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try18-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 261 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try18-opt2.pdb.gz looking for model 1 # Found a chain break before 257 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try18-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 257 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try19-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 242 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try19-opt1.pdb.gz looking for model 1 # Found a chain break before 242 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try19-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 255 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try19-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 255 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try19-opt2.pdb.gz looking for model 1 # Found a chain break before 242 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try19-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 242 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try2-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 247 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try2-opt1.pdb.gz looking for model 1 # Found a chain break before 247 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try2-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 252 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try2-opt2.pdb.gz looking for model 1 # Found a chain break before 247 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try2-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 247 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try20-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 253 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try20-opt1.pdb.gz looking for model 1 # Found a chain break before 253 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try20-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 254 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try20-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 254 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try20-opt2.pdb.gz looking for model 1 # Found a chain break before 256 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try20-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 256 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try21-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 242 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try21-opt1.pdb.gz looking for model 1 # Found a chain break before 242 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try21-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 242 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try21-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 242 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try21-opt2.pdb.gz looking for model 1 # Found a chain break before 242 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try21-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 242 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try22-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 242 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try22-opt1.pdb.gz looking for model 1 # Found a chain break before 242 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try22-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 236 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try22-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 236 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try22-opt2.pdb.gz looking for model 1 # Found a chain break before 242 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try22-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 242 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try23-opt1.pdb.gz looking for model 1 # Found a chain break before 242 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try23-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 236 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try23-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 236 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try23-opt2.pdb.gz looking for model 1 # Found a chain break before 242 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try23-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 242 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try24-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 242 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try24-opt1.pdb.gz looking for model 1 # Found a chain break before 242 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try24-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 242 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try24-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 242 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try24-opt2.pdb.gz looking for model 1 # Found a chain break before 255 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try24-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 255 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try25-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 242 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try25-opt1.pdb.gz looking for model 1 # Found a chain break before 242 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try25-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 252 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try25-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 252 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try25-opt2.pdb.gz looking for model 1 # Found a chain break before 256 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try25-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 256 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try26-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 255 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try26-opt1.pdb.gz looking for model 1 # Found a chain break before 255 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try26-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 242 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try26-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 242 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try26-opt2.pdb.gz looking for model 1 # Found a chain break before 255 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try26-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 255 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try27-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 256 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try27-opt1.pdb.gz looking for model 1 # Found a chain break before 256 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try27-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 252 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try27-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 252 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try27-opt2.pdb.gz looking for model 1 # Found a chain break before 256 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try27-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 256 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try3-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 253 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try3-opt1.pdb.gz looking for model 1 # Found a chain break before 253 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try3-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 255 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try3-opt2.pdb.gz looking for model 1 # Found a chain break before 253 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try3-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 253 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try4-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 246 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try4-opt1.pdb.gz looking for model 1 # Found a chain break before 246 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try4-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 258 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try4-opt2.pdb.gz looking for model 1 # Found a chain break before 246 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try4-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 246 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try5-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 254 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try5-opt1.pdb.gz looking for model 1 # Found a chain break before 254 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try5-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 254 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try5-opt2.pdb.gz looking for model 1 # Found a chain break before 254 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try5-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 254 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try6-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 251 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try6-opt1.pdb.gz looking for model 1 # Found a chain break before 251 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try6-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 261 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try6-opt2.pdb.gz looking for model 1 # Found a chain break before 251 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try6-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 251 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try7-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 251 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try7-opt1.pdb.gz looking for model 1 # Found a chain break before 251 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try7-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 254 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try7-opt2.pdb.gz looking for model 1 # Found a chain break before 257 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try7-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 257 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try8-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 257 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try8-opt1.pdb.gz looking for model 1 # Found a chain break before 257 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try8-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 251 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try8-opt2.pdb.gz looking for model 1 # Found a chain break before 254 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try8-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 254 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try9-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 242 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try9-opt1.pdb.gz looking for model 1 # Found a chain break before 242 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try9-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 255 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try9-opt2.pdb.gz looking for model 1 # Found a chain break before 242 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try9-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 242 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS1 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_174416841.pdb -s /var/tmp/to_scwrl_174416841.seq -o /var/tmp/from_scwrl_174416841.pdb > /var/tmp/scwrl_174416841.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_174416841.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 T0325 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS2 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1396651994.pdb -s /var/tmp/to_scwrl_1396651994.seq -o /var/tmp/from_scwrl_1396651994.pdb > /var/tmp/scwrl_1396651994.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1396651994.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_POPULUS_TS2-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS3 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1554325401.pdb -s /var/tmp/to_scwrl_1554325401.seq -o /var/tmp/from_scwrl_1554325401.pdb > /var/tmp/scwrl_1554325401.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1554325401.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_POPULUS_TS3-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS4 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_101407873.pdb -s /var/tmp/to_scwrl_101407873.seq -o /var/tmp/from_scwrl_101407873.pdb > /var/tmp/scwrl_101407873.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_101407873.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_POPULUS_TS4-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS5 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_804524754.pdb -s /var/tmp/to_scwrl_804524754.seq -o /var/tmp/from_scwrl_804524754.pdb > /var/tmp/scwrl_804524754.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_804524754.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 T0325 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS1 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_983863539.pdb -s /var/tmp/to_scwrl_983863539.seq -o /var/tmp/from_scwrl_983863539.pdb > /var/tmp/scwrl_983863539.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_983863539.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 T0325 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS2 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1092448316.pdb -s /var/tmp/to_scwrl_1092448316.seq -o /var/tmp/from_scwrl_1092448316.pdb > /var/tmp/scwrl_1092448316.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1092448316.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_RECOM_TS2-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS3 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1636058378.pdb -s /var/tmp/to_scwrl_1636058378.seq -o /var/tmp/from_scwrl_1636058378.pdb > /var/tmp/scwrl_1636058378.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1636058378.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_RECOM_TS3-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS1 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1476673629.pdb -s /var/tmp/to_scwrl_1476673629.seq -o /var/tmp/from_scwrl_1476673629.pdb > /var/tmp/scwrl_1476673629.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1476673629.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 T0325 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS2 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_199258749.pdb -s /var/tmp/to_scwrl_199258749.seq -o /var/tmp/from_scwrl_199258749.pdb > /var/tmp/scwrl_199258749.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_199258749.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 T0325 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS3 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1947068804.pdb -s /var/tmp/to_scwrl_1947068804.seq -o /var/tmp/from_scwrl_1947068804.pdb > /var/tmp/scwrl_1947068804.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1947068804.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_TS3-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_TS4 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1981039243.pdb -s /var/tmp/to_scwrl_1981039243.seq -o /var/tmp/from_scwrl_1981039243.pdb > /var/tmp/scwrl_1981039243.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1981039243.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 T0325 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS5 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1410745321.pdb -s /var/tmp/to_scwrl_1410745321.seq -o /var/tmp/from_scwrl_1410745321.pdb > /var/tmp/scwrl_1410745321.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1410745321.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 222 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS1 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_833677815.pdb -s /var/tmp/to_scwrl_833677815.seq -o /var/tmp/from_scwrl_833677815.pdb > /var/tmp/scwrl_833677815.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_833677815.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 215 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS2 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_514991314.pdb -s /var/tmp/to_scwrl_514991314.seq -o /var/tmp/from_scwrl_514991314.pdb > /var/tmp/scwrl_514991314.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_514991314.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 257 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS3 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1636949927.pdb -s /var/tmp/to_scwrl_1636949927.seq -o /var/tmp/from_scwrl_1636949927.pdb > /var/tmp/scwrl_1636949927.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1636949927.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 210 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS4 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_747040280.pdb -s /var/tmp/to_scwrl_747040280.seq -o /var/tmp/from_scwrl_747040280.pdb > /var/tmp/scwrl_747040280.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_747040280.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 246 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS5 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1689720659.pdb -s /var/tmp/to_scwrl_1689720659.seq -o /var/tmp/from_scwrl_1689720659.pdb > /var/tmp/scwrl_1689720659.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1689720659.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 254 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS1 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1493100308.pdb -s /var/tmp/to_scwrl_1493100308.seq -o /var/tmp/from_scwrl_1493100308.pdb > /var/tmp/scwrl_1493100308.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1493100308.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 254 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS2 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_2109013367.pdb -s /var/tmp/to_scwrl_2109013367.seq -o /var/tmp/from_scwrl_2109013367.pdb > /var/tmp/scwrl_2109013367.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2109013367.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 245 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS3 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1475711954.pdb -s /var/tmp/to_scwrl_1475711954.seq -o /var/tmp/from_scwrl_1475711954.pdb > /var/tmp/scwrl_1475711954.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1475711954.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 250 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS4 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1528960006.pdb -s /var/tmp/to_scwrl_1528960006.seq -o /var/tmp/from_scwrl_1528960006.pdb > /var/tmp/scwrl_1528960006.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1528960006.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 233 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS5 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_101782927.pdb -s /var/tmp/to_scwrl_101782927.seq -o /var/tmp/from_scwrl_101782927.pdb > /var/tmp/scwrl_101782927.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_101782927.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 236 # copying to AlignedFragments data structure # naming current conformation BayesHH_TS1 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1087619876.pdb -s /var/tmp/to_scwrl_1087619876.seq -o /var/tmp/from_scwrl_1087619876.pdb > /var/tmp/scwrl_1087619876.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1087619876.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 261 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS1 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1213298463.pdb -s /var/tmp/to_scwrl_1213298463.seq -o /var/tmp/from_scwrl_1213298463.pdb > /var/tmp/scwrl_1213298463.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1213298463.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 261 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS2 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1845967378.pdb -s /var/tmp/to_scwrl_1845967378.seq -o /var/tmp/from_scwrl_1845967378.pdb > /var/tmp/scwrl_1845967378.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1845967378.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 261 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS3 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1662422597.pdb -s /var/tmp/to_scwrl_1662422597.seq -o /var/tmp/from_scwrl_1662422597.pdb > /var/tmp/scwrl_1662422597.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1662422597.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 261 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS4 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_778802396.pdb -s /var/tmp/to_scwrl_778802396.seq -o /var/tmp/from_scwrl_778802396.pdb > /var/tmp/scwrl_778802396.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_778802396.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 203 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS5 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_756446390.pdb -s /var/tmp/to_scwrl_756446390.seq -o /var/tmp/from_scwrl_756446390.pdb > /var/tmp/scwrl_756446390.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_756446390.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 258 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS1 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1403498051.pdb -s /var/tmp/to_scwrl_1403498051.seq -o /var/tmp/from_scwrl_1403498051.pdb > /var/tmp/scwrl_1403498051.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1403498051.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS1-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS2 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1485892141.pdb -s /var/tmp/to_scwrl_1485892141.seq -o /var/tmp/from_scwrl_1485892141.pdb > /var/tmp/scwrl_1485892141.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1485892141.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS2-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS3 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_930863232.pdb -s /var/tmp/to_scwrl_930863232.seq -o /var/tmp/from_scwrl_930863232.pdb > /var/tmp/scwrl_930863232.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_930863232.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 257 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS4 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_652666399.pdb -s /var/tmp/to_scwrl_652666399.seq -o /var/tmp/from_scwrl_652666399.pdb > /var/tmp/scwrl_652666399.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_652666399.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS4-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS5 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_892733896.pdb -s /var/tmp/to_scwrl_892733896.seq -o /var/tmp/from_scwrl_892733896.pdb > /var/tmp/scwrl_892733896.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_892733896.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS5-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS1 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1032271105.pdb -s /var/tmp/to_scwrl_1032271105.seq -o /var/tmp/from_scwrl_1032271105.pdb > /var/tmp/scwrl_1032271105.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1032271105.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 T0325 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS2 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1457191153.pdb -s /var/tmp/to_scwrl_1457191153.seq -o /var/tmp/from_scwrl_1457191153.pdb > /var/tmp/scwrl_1457191153.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1457191153.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 T0325 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS3 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1876597434.pdb -s /var/tmp/to_scwrl_1876597434.seq -o /var/tmp/from_scwrl_1876597434.pdb > /var/tmp/scwrl_1876597434.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1876597434.pdb # conformation set from SCWRL output # naming current conformation CaspIta-FOX_TS3-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS4 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_2124719421.pdb -s /var/tmp/to_scwrl_2124719421.seq -o /var/tmp/from_scwrl_2124719421.pdb > /var/tmp/scwrl_2124719421.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2124719421.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 T0325 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS5 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_945765885.pdb -s /var/tmp/to_scwrl_945765885.seq -o /var/tmp/from_scwrl_945765885.pdb > /var/tmp/scwrl_945765885.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_945765885.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 T0325 can't currently be optimized by undertaker # naming current conformation Distill_TS1 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1205787416.pdb -s /var/tmp/to_scwrl_1205787416.seq -o /var/tmp/from_scwrl_1205787416.pdb > /var/tmp/scwrl_1205787416.log Error: Couldn't open file /var/tmp/from_scwrl_1205787416.pdb or /var/tmp/from_scwrl_1205787416.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1205787416_b.pdb or decoys//var/tmp/from_scwrl_1205787416_b.pdb.gz for input Trying /var/tmp/from_scwrl_1205787416_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1205787416_b.pdb or /var/tmp/from_scwrl_1205787416_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1205787416_a.pdb or decoys//var/tmp/from_scwrl_1205787416_a.pdb.gz for input Trying /var/tmp/from_scwrl_1205787416_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1205787416_a.pdb or /var/tmp/from_scwrl_1205787416_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1205787416.pdb or /var/tmp/from_scwrl_1205787416_b.pdb or /var/tmp/from_scwrl_1205787416_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 T0325 can't currently be optimized by undertaker # naming current conformation Distill_TS2 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_176494523.pdb -s /var/tmp/to_scwrl_176494523.seq -o /var/tmp/from_scwrl_176494523.pdb > /var/tmp/scwrl_176494523.log Error: Couldn't open file /var/tmp/from_scwrl_176494523.pdb or /var/tmp/from_scwrl_176494523.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_176494523_b.pdb or decoys//var/tmp/from_scwrl_176494523_b.pdb.gz for input Trying /var/tmp/from_scwrl_176494523_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_176494523_b.pdb or /var/tmp/from_scwrl_176494523_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_176494523_a.pdb or decoys//var/tmp/from_scwrl_176494523_a.pdb.gz for input Trying /var/tmp/from_scwrl_176494523_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_176494523_a.pdb or /var/tmp/from_scwrl_176494523_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_176494523.pdb or /var/tmp/from_scwrl_176494523_b.pdb or /var/tmp/from_scwrl_176494523_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 T0325 can't currently be optimized by undertaker # naming current conformation Distill_TS3 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_745351042.pdb -s /var/tmp/to_scwrl_745351042.seq -o /var/tmp/from_scwrl_745351042.pdb > /var/tmp/scwrl_745351042.log Error: Couldn't open file /var/tmp/from_scwrl_745351042.pdb or /var/tmp/from_scwrl_745351042.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_745351042_b.pdb or decoys//var/tmp/from_scwrl_745351042_b.pdb.gz for input Trying /var/tmp/from_scwrl_745351042_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_745351042_b.pdb or /var/tmp/from_scwrl_745351042_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_745351042_a.pdb or decoys//var/tmp/from_scwrl_745351042_a.pdb.gz for input Trying /var/tmp/from_scwrl_745351042_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_745351042_a.pdb or /var/tmp/from_scwrl_745351042_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_745351042.pdb or /var/tmp/from_scwrl_745351042_b.pdb or /var/tmp/from_scwrl_745351042_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 T0325 can't currently be optimized by undertaker # naming current conformation Distill_TS4 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1039343014.pdb -s /var/tmp/to_scwrl_1039343014.seq -o /var/tmp/from_scwrl_1039343014.pdb > /var/tmp/scwrl_1039343014.log Error: Couldn't open file /var/tmp/from_scwrl_1039343014.pdb or /var/tmp/from_scwrl_1039343014.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1039343014_b.pdb or decoys//var/tmp/from_scwrl_1039343014_b.pdb.gz for input Trying /var/tmp/from_scwrl_1039343014_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1039343014_b.pdb or /var/tmp/from_scwrl_1039343014_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1039343014_a.pdb or decoys//var/tmp/from_scwrl_1039343014_a.pdb.gz for input Trying /var/tmp/from_scwrl_1039343014_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1039343014_a.pdb or /var/tmp/from_scwrl_1039343014_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1039343014.pdb or /var/tmp/from_scwrl_1039343014_b.pdb or /var/tmp/from_scwrl_1039343014_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 T0325 can't currently be optimized by undertaker # naming current conformation Distill_TS5 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1587239844.pdb -s /var/tmp/to_scwrl_1587239844.seq -o /var/tmp/from_scwrl_1587239844.pdb > /var/tmp/scwrl_1587239844.log Error: Couldn't open file /var/tmp/from_scwrl_1587239844.pdb or /var/tmp/from_scwrl_1587239844.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1587239844_b.pdb or decoys//var/tmp/from_scwrl_1587239844_b.pdb.gz for input Trying /var/tmp/from_scwrl_1587239844_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1587239844_b.pdb or /var/tmp/from_scwrl_1587239844_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1587239844_a.pdb or decoys//var/tmp/from_scwrl_1587239844_a.pdb.gz for input Trying /var/tmp/from_scwrl_1587239844_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1587239844_a.pdb or /var/tmp/from_scwrl_1587239844_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1587239844.pdb or /var/tmp/from_scwrl_1587239844_b.pdb or /var/tmp/from_scwrl_1587239844_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 259 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS1 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1579028857.pdb -s /var/tmp/to_scwrl_1579028857.seq -o /var/tmp/from_scwrl_1579028857.pdb > /var/tmp/scwrl_1579028857.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1579028857.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 T0325 can't currently be optimized by undertaker # naming current conformation FAMSD_TS2 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1554334327.pdb -s /var/tmp/to_scwrl_1554334327.seq -o /var/tmp/from_scwrl_1554334327.pdb > /var/tmp/scwrl_1554334327.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1554334327.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 261 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS3 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1076706124.pdb -s /var/tmp/to_scwrl_1076706124.seq -o /var/tmp/from_scwrl_1076706124.pdb > /var/tmp/scwrl_1076706124.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1076706124.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 # Found a chain break before 261 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS4 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_178585490.pdb -s /var/tmp/to_scwrl_178585490.seq -o /var/tmp/from_scwrl_178585490.pdb > /var/tmp/scwrl_178585490.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_178585490.pdb # conformation set from SCWRL output # naming current conformation FAMSD_TS4-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation FAMSD_TS5 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1096571339.pdb -s /var/tmp/to_scwrl_1096571339.seq -o /var/tmp/from_scwrl_1096571339.pdb > /var/tmp/scwrl_1096571339.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1096571339.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 255 # copying to AlignedFragments data structure # naming current conformation FAMS_TS1 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_422322786.pdb -s /var/tmp/to_scwrl_422322786.seq -o /var/tmp/from_scwrl_422322786.pdb > /var/tmp/scwrl_422322786.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_422322786.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS1-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation FAMS_TS2 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_140115210.pdb -s /var/tmp/to_scwrl_140115210.seq -o /var/tmp/from_scwrl_140115210.pdb > /var/tmp/scwrl_140115210.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_140115210.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS2-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation FAMS_TS3 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_424799647.pdb -s /var/tmp/to_scwrl_424799647.seq -o /var/tmp/from_scwrl_424799647.pdb > /var/tmp/scwrl_424799647.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_424799647.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS3-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation FAMS_TS4 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1951282792.pdb -s /var/tmp/to_scwrl_1951282792.seq -o /var/tmp/from_scwrl_1951282792.pdb > /var/tmp/scwrl_1951282792.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1951282792.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 257 # copying to AlignedFragments data structure # naming current conformation FAMS_TS5 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_241898137.pdb -s /var/tmp/to_scwrl_241898137.seq -o /var/tmp/from_scwrl_241898137.pdb > /var/tmp/scwrl_241898137.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_241898137.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 216 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS1 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1512419523.pdb -s /var/tmp/to_scwrl_1512419523.seq -o /var/tmp/from_scwrl_1512419523.pdb > /var/tmp/scwrl_1512419523.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1512419523.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 241 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS2 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1017097609.pdb -s /var/tmp/to_scwrl_1017097609.seq -o /var/tmp/from_scwrl_1017097609.pdb > /var/tmp/scwrl_1017097609.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1017097609.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 251 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS3 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_2087865516.pdb -s /var/tmp/to_scwrl_2087865516.seq -o /var/tmp/from_scwrl_2087865516.pdb > /var/tmp/scwrl_2087865516.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2087865516.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 243 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS4 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1027358475.pdb -s /var/tmp/to_scwrl_1027358475.seq -o /var/tmp/from_scwrl_1027358475.pdb > /var/tmp/scwrl_1027358475.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1027358475.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 249 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS5 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1795900005.pdb -s /var/tmp/to_scwrl_1795900005.seq -o /var/tmp/from_scwrl_1795900005.pdb > /var/tmp/scwrl_1795900005.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1795900005.pdb # conformation set from SCWRL output # naming current conformation FOLDpro_TS5-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation FORTE1_AL1 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_696828259.pdb -s /var/tmp/to_scwrl_696828259.seq -o /var/tmp/from_scwrl_696828259.pdb > /var/tmp/scwrl_696828259.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_696828259.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 T0325 can't currently be optimized by undertaker # naming current conformation FORTE1_AL2 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_283372879.pdb -s /var/tmp/to_scwrl_283372879.seq -o /var/tmp/from_scwrl_283372879.pdb > /var/tmp/scwrl_283372879.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_283372879.pdb # conformation set from SCWRL output # naming current conformation FORTE1_AL2-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation FORTE1_AL3 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1134308499.pdb -s /var/tmp/to_scwrl_1134308499.seq -o /var/tmp/from_scwrl_1134308499.pdb > /var/tmp/scwrl_1134308499.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1134308499.pdb # conformation set from SCWRL output # naming current conformation FORTE1_AL3-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation FORTE1_AL4 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1627691490.pdb -s /var/tmp/to_scwrl_1627691490.seq -o /var/tmp/from_scwrl_1627691490.pdb > /var/tmp/scwrl_1627691490.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1627691490.pdb # conformation set from SCWRL output # naming current conformation FORTE1_AL4-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL5.pdb.gz looking for model 1 Skipped atom 149, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 150, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 151, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 152, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 545, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 546, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 547, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 548, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation FORTE1_AL5 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_936039278.pdb -s /var/tmp/to_scwrl_936039278.seq -o /var/tmp/from_scwrl_936039278.pdb > /var/tmp/scwrl_936039278.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_936039278.pdb # conformation set from SCWRL output # naming current conformation FORTE1_AL5-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation FORTE2_AL1 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_2027042395.pdb -s /var/tmp/to_scwrl_2027042395.seq -o /var/tmp/from_scwrl_2027042395.pdb > /var/tmp/scwrl_2027042395.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2027042395.pdb # conformation set from SCWRL output # naming current conformation FORTE2_AL1-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation FORTE2_AL2 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_512478948.pdb -s /var/tmp/to_scwrl_512478948.seq -o /var/tmp/from_scwrl_512478948.pdb > /var/tmp/scwrl_512478948.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_512478948.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 T0325 can't currently be optimized by undertaker # naming current conformation FORTE2_AL3 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_245746784.pdb -s /var/tmp/to_scwrl_245746784.seq -o /var/tmp/from_scwrl_245746784.pdb > /var/tmp/scwrl_245746784.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_245746784.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 T0325 can't currently be optimized by undertaker # naming current conformation FORTE2_AL4 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1756156182.pdb -s /var/tmp/to_scwrl_1756156182.seq -o /var/tmp/from_scwrl_1756156182.pdb > /var/tmp/scwrl_1756156182.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1756156182.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 T0325 can't currently be optimized by undertaker # naming current conformation FORTE2_AL5 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_489714722.pdb -s /var/tmp/to_scwrl_489714722.seq -o /var/tmp/from_scwrl_489714722.pdb > /var/tmp/scwrl_489714722.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_489714722.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 233 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS1 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1191512668.pdb -s /var/tmp/to_scwrl_1191512668.seq -o /var/tmp/from_scwrl_1191512668.pdb > /var/tmp/scwrl_1191512668.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1191512668.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 260 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS2 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_814459952.pdb -s /var/tmp/to_scwrl_814459952.seq -o /var/tmp/from_scwrl_814459952.pdb > /var/tmp/scwrl_814459952.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_814459952.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 237 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS3 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_666209245.pdb -s /var/tmp/to_scwrl_666209245.seq -o /var/tmp/from_scwrl_666209245.pdb > /var/tmp/scwrl_666209245.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_666209245.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 257 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS4 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1936863711.pdb -s /var/tmp/to_scwrl_1936863711.seq -o /var/tmp/from_scwrl_1936863711.pdb > /var/tmp/scwrl_1936863711.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1936863711.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 261 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS5 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1853802965.pdb -s /var/tmp/to_scwrl_1853802965.seq -o /var/tmp/from_scwrl_1853802965.pdb > /var/tmp/scwrl_1853802965.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1853802965.pdb # conformation set from SCWRL output # naming current conformation FPSOLVER-SERVER_TS5-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS1 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_105965442.pdb -s /var/tmp/to_scwrl_105965442.seq -o /var/tmp/from_scwrl_105965442.pdb > /var/tmp/scwrl_105965442.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_105965442.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS1-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS2.pdb.gz looking for model 1 # Found a chain break before 227 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS2 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1368408921.pdb -s /var/tmp/to_scwrl_1368408921.seq -o /var/tmp/from_scwrl_1368408921.pdb > /var/tmp/scwrl_1368408921.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1368408921.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 T0325 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS3 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1260653646.pdb -s /var/tmp/to_scwrl_1260653646.seq -o /var/tmp/from_scwrl_1260653646.pdb > /var/tmp/scwrl_1260653646.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1260653646.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 T0325 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS4 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1182671567.pdb -s /var/tmp/to_scwrl_1182671567.seq -o /var/tmp/from_scwrl_1182671567.pdb > /var/tmp/scwrl_1182671567.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1182671567.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 T0325 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS5 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1546994411.pdb -s /var/tmp/to_scwrl_1546994411.seq -o /var/tmp/from_scwrl_1546994411.pdb > /var/tmp/scwrl_1546994411.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1546994411.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 T0325 can't currently be optimized by undertaker # naming current conformation FUGUE_AL1 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_209741339.pdb -s /var/tmp/to_scwrl_209741339.seq -o /var/tmp/from_scwrl_209741339.pdb > /var/tmp/scwrl_209741339.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_209741339.pdb # conformation set from SCWRL output # naming current conformation FUGUE_AL1-scwrl # ReadConformPDB reading from PDB file servers/FUGUE_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation FUGUE_AL3 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1604994353.pdb -s /var/tmp/to_scwrl_1604994353.seq -o /var/tmp/from_scwrl_1604994353.pdb > /var/tmp/scwrl_1604994353.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1604994353.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 T0325 can't currently be optimized by undertaker # naming current conformation FUGUE_AL4 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1687109621.pdb -s /var/tmp/to_scwrl_1687109621.seq -o /var/tmp/from_scwrl_1687109621.pdb > /var/tmp/scwrl_1687109621.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1687109621.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 T0325 can't currently be optimized by undertaker # naming current conformation FUGUE_AL5 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_634540987.pdb -s /var/tmp/to_scwrl_634540987.seq -o /var/tmp/from_scwrl_634540987.pdb > /var/tmp/scwrl_634540987.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_634540987.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 260 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS1 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1408793499.pdb -s /var/tmp/to_scwrl_1408793499.seq -o /var/tmp/from_scwrl_1408793499.pdb > /var/tmp/scwrl_1408793499.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1408793499.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 261 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS2 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1929007759.pdb -s /var/tmp/to_scwrl_1929007759.seq -o /var/tmp/from_scwrl_1929007759.pdb > /var/tmp/scwrl_1929007759.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1929007759.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 258 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS3 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_2146960510.pdb -s /var/tmp/to_scwrl_2146960510.seq -o /var/tmp/from_scwrl_2146960510.pdb > /var/tmp/scwrl_2146960510.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2146960510.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 261 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS4 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_278407461.pdb -s /var/tmp/to_scwrl_278407461.seq -o /var/tmp/from_scwrl_278407461.pdb > /var/tmp/scwrl_278407461.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_278407461.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 255 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS5 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1869389628.pdb -s /var/tmp/to_scwrl_1869389628.seq -o /var/tmp/from_scwrl_1869389628.pdb > /var/tmp/scwrl_1869389628.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1869389628.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 242 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS1 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1026835338.pdb -s /var/tmp/to_scwrl_1026835338.seq -o /var/tmp/from_scwrl_1026835338.pdb > /var/tmp/scwrl_1026835338.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1026835338.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 233 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS2 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_2074307466.pdb -s /var/tmp/to_scwrl_2074307466.seq -o /var/tmp/from_scwrl_2074307466.pdb > /var/tmp/scwrl_2074307466.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2074307466.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 199 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS3 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_418734240.pdb -s /var/tmp/to_scwrl_418734240.seq -o /var/tmp/from_scwrl_418734240.pdb > /var/tmp/scwrl_418734240.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_418734240.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 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS4 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1310208216.pdb -s /var/tmp/to_scwrl_1310208216.seq -o /var/tmp/from_scwrl_1310208216.pdb > /var/tmp/scwrl_1310208216.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1310208216.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS4-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS5 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1061132319.pdb -s /var/tmp/to_scwrl_1061132319.seq -o /var/tmp/from_scwrl_1061132319.pdb > /var/tmp/scwrl_1061132319.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1061132319.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 246 # copying to AlignedFragments data structure # naming current conformation HHpred1_TS1 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_2046425731.pdb -s /var/tmp/to_scwrl_2046425731.seq -o /var/tmp/from_scwrl_2046425731.pdb > /var/tmp/scwrl_2046425731.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2046425731.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 227 # copying to AlignedFragments data structure # naming current conformation HHpred2_TS1 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_98763848.pdb -s /var/tmp/to_scwrl_98763848.seq -o /var/tmp/from_scwrl_98763848.pdb > /var/tmp/scwrl_98763848.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_98763848.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 206 # copying to AlignedFragments data structure # naming current conformation HHpred3_TS1 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_940691067.pdb -s /var/tmp/to_scwrl_940691067.seq -o /var/tmp/from_scwrl_940691067.pdb > /var/tmp/scwrl_940691067.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_940691067.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 T0325 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS1 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_411421032.pdb -s /var/tmp/to_scwrl_411421032.seq -o /var/tmp/from_scwrl_411421032.pdb > /var/tmp/scwrl_411421032.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_411421032.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 T0325 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS2 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_344510632.pdb -s /var/tmp/to_scwrl_344510632.seq -o /var/tmp/from_scwrl_344510632.pdb > /var/tmp/scwrl_344510632.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_344510632.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 T0325 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS3 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_549363602.pdb -s /var/tmp/to_scwrl_549363602.seq -o /var/tmp/from_scwrl_549363602.pdb > /var/tmp/scwrl_549363602.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_549363602.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 T0325 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS4 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_901135755.pdb -s /var/tmp/to_scwrl_901135755.seq -o /var/tmp/from_scwrl_901135755.pdb > /var/tmp/scwrl_901135755.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_901135755.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 T0325 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS5 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1536023301.pdb -s /var/tmp/to_scwrl_1536023301.seq -o /var/tmp/from_scwrl_1536023301.pdb > /var/tmp/scwrl_1536023301.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1536023301.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 T0325 can't currently be optimized by undertaker # naming current conformation LOOPP_TS1 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1363823554.pdb -s /var/tmp/to_scwrl_1363823554.seq -o /var/tmp/from_scwrl_1363823554.pdb > /var/tmp/scwrl_1363823554.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1363823554.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 T0325 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation LOOPP_TS2 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1567344999.pdb -s /var/tmp/to_scwrl_1567344999.seq -o /var/tmp/from_scwrl_1567344999.pdb > /var/tmp/scwrl_1567344999.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1567344999.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 T0325 can't currently be optimized by undertaker # naming current conformation LOOPP_TS3 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1325403365.pdb -s /var/tmp/to_scwrl_1325403365.seq -o /var/tmp/from_scwrl_1325403365.pdb > /var/tmp/scwrl_1325403365.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1325403365.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 T0325 can't currently be optimized by undertaker # naming current conformation LOOPP_TS4 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1070142873.pdb -s /var/tmp/to_scwrl_1070142873.seq -o /var/tmp/from_scwrl_1070142873.pdb > /var/tmp/scwrl_1070142873.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1070142873.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 T0325 can't currently be optimized by undertaker # naming current conformation LOOPP_TS5 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1673310442.pdb -s /var/tmp/to_scwrl_1673310442.seq -o /var/tmp/from_scwrl_1673310442.pdb > /var/tmp/scwrl_1673310442.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1673310442.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 257 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS1 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_546328640.pdb -s /var/tmp/to_scwrl_546328640.seq -o /var/tmp/from_scwrl_546328640.pdb > /var/tmp/scwrl_546328640.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_546328640.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 200 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS2 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_183312872.pdb -s /var/tmp/to_scwrl_183312872.seq -o /var/tmp/from_scwrl_183312872.pdb > /var/tmp/scwrl_183312872.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_183312872.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 253 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS3 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_708498363.pdb -s /var/tmp/to_scwrl_708498363.seq -o /var/tmp/from_scwrl_708498363.pdb > /var/tmp/scwrl_708498363.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_708498363.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 242 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS4 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_2093323051.pdb -s /var/tmp/to_scwrl_2093323051.seq -o /var/tmp/from_scwrl_2093323051.pdb > /var/tmp/scwrl_2093323051.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2093323051.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 259 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS5 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_393054212.pdb -s /var/tmp/to_scwrl_393054212.seq -o /var/tmp/from_scwrl_393054212.pdb > /var/tmp/scwrl_393054212.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_393054212.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 259 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS1 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_166009069.pdb -s /var/tmp/to_scwrl_166009069.seq -o /var/tmp/from_scwrl_166009069.pdb > /var/tmp/scwrl_166009069.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_166009069.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 253 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS2 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1632949025.pdb -s /var/tmp/to_scwrl_1632949025.seq -o /var/tmp/from_scwrl_1632949025.pdb > /var/tmp/scwrl_1632949025.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1632949025.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 251 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS3 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1027595199.pdb -s /var/tmp/to_scwrl_1027595199.seq -o /var/tmp/from_scwrl_1027595199.pdb > /var/tmp/scwrl_1027595199.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1027595199.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 211 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS4 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1574802568.pdb -s /var/tmp/to_scwrl_1574802568.seq -o /var/tmp/from_scwrl_1574802568.pdb > /var/tmp/scwrl_1574802568.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1574802568.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 257 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS5 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1414473137.pdb -s /var/tmp/to_scwrl_1414473137.seq -o /var/tmp/from_scwrl_1414473137.pdb > /var/tmp/scwrl_1414473137.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1414473137.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 254 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS1 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1027072062.pdb -s /var/tmp/to_scwrl_1027072062.seq -o /var/tmp/from_scwrl_1027072062.pdb > /var/tmp/scwrl_1027072062.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1027072062.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 260 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS2 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1853210030.pdb -s /var/tmp/to_scwrl_1853210030.seq -o /var/tmp/from_scwrl_1853210030.pdb > /var/tmp/scwrl_1853210030.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1853210030.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 261 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS3 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1136379118.pdb -s /var/tmp/to_scwrl_1136379118.seq -o /var/tmp/from_scwrl_1136379118.pdb > /var/tmp/scwrl_1136379118.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1136379118.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 261 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS4 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_2053907400.pdb -s /var/tmp/to_scwrl_2053907400.seq -o /var/tmp/from_scwrl_2053907400.pdb > /var/tmp/scwrl_2053907400.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2053907400.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 254 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS5 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1780033849.pdb -s /var/tmp/to_scwrl_1780033849.seq -o /var/tmp/from_scwrl_1780033849.pdb > /var/tmp/scwrl_1780033849.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1780033849.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 T0325 can't currently be optimized by undertaker # naming current conformation NN_PUT_lab_TS1 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1555113359.pdb -s /var/tmp/to_scwrl_1555113359.seq -o /var/tmp/from_scwrl_1555113359.pdb > /var/tmp/scwrl_1555113359.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1555113359.pdb # conformation set from SCWRL output # naming current conformation NN_PUT_lab_TS1-scwrl # ReadConformPDB reading from PDB file servers/POMYSL_TS1.pdb.gz looking for model 1 # Found a chain break before 257 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS1 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1216631969.pdb -s /var/tmp/to_scwrl_1216631969.seq -o /var/tmp/from_scwrl_1216631969.pdb > /var/tmp/scwrl_1216631969.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1216631969.pdb # conformation set from SCWRL output # naming current conformation POMYSL_TS1-scwrl # ReadConformPDB reading from PDB file servers/POMYSL_TS2.pdb.gz looking for model 1 # Found a chain break before 254 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS2 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_693682522.pdb -s /var/tmp/to_scwrl_693682522.seq -o /var/tmp/from_scwrl_693682522.pdb > /var/tmp/scwrl_693682522.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_693682522.pdb # conformation set from SCWRL output # naming current conformation POMYSL_TS2-scwrl # ReadConformPDB reading from PDB file servers/POMYSL_TS3.pdb.gz looking for model 1 # Found a chain break before 251 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS3 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1454055443.pdb -s /var/tmp/to_scwrl_1454055443.seq -o /var/tmp/from_scwrl_1454055443.pdb > /var/tmp/scwrl_1454055443.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1454055443.pdb # conformation set from SCWRL output # naming current conformation POMYSL_TS3-scwrl # ReadConformPDB reading from PDB file servers/POMYSL_TS4.pdb.gz looking for model 1 # Found a chain break before 258 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS4 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1315395817.pdb -s /var/tmp/to_scwrl_1315395817.seq -o /var/tmp/from_scwrl_1315395817.pdb > /var/tmp/scwrl_1315395817.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1315395817.pdb # conformation set from SCWRL output # naming current conformation POMYSL_TS4-scwrl # ReadConformPDB reading from PDB file servers/POMYSL_TS5.pdb.gz looking for model 1 # Found a chain break before 256 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS5 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1634373588.pdb -s /var/tmp/to_scwrl_1634373588.seq -o /var/tmp/from_scwrl_1634373588.pdb > /var/tmp/scwrl_1634373588.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1634373588.pdb # conformation set from SCWRL output # naming current conformation POMYSL_TS5-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS1.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS1 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1865476475.pdb -s /var/tmp/to_scwrl_1865476475.seq -o /var/tmp/from_scwrl_1865476475.pdb > /var/tmp/scwrl_1865476475.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1865476475.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 236 ; scwrl3 -i /var/tmp/to_scwrl_1659906450.pdb -s /var/tmp/to_scwrl_1659906450.seq -o /var/tmp/from_scwrl_1659906450.pdb > /var/tmp/scwrl_1659906450.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1659906450.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 236 ; scwrl3 -i /var/tmp/to_scwrl_36253544.pdb -s /var/tmp/to_scwrl_36253544.seq -o /var/tmp/from_scwrl_36253544.pdb > /var/tmp/scwrl_36253544.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_36253544.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 236 ; scwrl3 -i /var/tmp/to_scwrl_619128583.pdb -s /var/tmp/to_scwrl_619128583.seq -o /var/tmp/from_scwrl_619128583.pdb > /var/tmp/scwrl_619128583.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_619128583.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 236 ; scwrl3 -i /var/tmp/to_scwrl_1048446105.pdb -s /var/tmp/to_scwrl_1048446105.seq -o /var/tmp/from_scwrl_1048446105.pdb > /var/tmp/scwrl_1048446105.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1048446105.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 243 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS1 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1400077098.pdb -s /var/tmp/to_scwrl_1400077098.seq -o /var/tmp/from_scwrl_1400077098.pdb > /var/tmp/scwrl_1400077098.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1400077098.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 243 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS2 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_38989936.pdb -s /var/tmp/to_scwrl_38989936.seq -o /var/tmp/from_scwrl_38989936.pdb > /var/tmp/scwrl_38989936.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_38989936.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 242 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS3 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_226365823.pdb -s /var/tmp/to_scwrl_226365823.seq -o /var/tmp/from_scwrl_226365823.pdb > /var/tmp/scwrl_226365823.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_226365823.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 257 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS4 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_322736324.pdb -s /var/tmp/to_scwrl_322736324.seq -o /var/tmp/from_scwrl_322736324.pdb > /var/tmp/scwrl_322736324.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_322736324.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS4-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS5.pdb.gz looking for model 1 # Found a chain break before 241 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS5 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1712300378.pdb -s /var/tmp/to_scwrl_1712300378.seq -o /var/tmp/from_scwrl_1712300378.pdb > /var/tmp/scwrl_1712300378.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1712300378.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 T0325 can't currently be optimized by undertaker # naming current conformation Pcons6_TS1 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_772694463.pdb -s /var/tmp/to_scwrl_772694463.seq -o /var/tmp/from_scwrl_772694463.pdb > /var/tmp/scwrl_772694463.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_772694463.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 T0325 can't currently be optimized by undertaker # naming current conformation Pcons6_TS2 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_506049197.pdb -s /var/tmp/to_scwrl_506049197.seq -o /var/tmp/from_scwrl_506049197.pdb > /var/tmp/scwrl_506049197.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_506049197.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 T0325 can't currently be optimized by undertaker # naming current conformation Pcons6_TS3 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_273315094.pdb -s /var/tmp/to_scwrl_273315094.seq -o /var/tmp/from_scwrl_273315094.pdb > /var/tmp/scwrl_273315094.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_273315094.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 T0325 can't currently be optimized by undertaker # naming current conformation Pcons6_TS4 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_718533867.pdb -s /var/tmp/to_scwrl_718533867.seq -o /var/tmp/from_scwrl_718533867.pdb > /var/tmp/scwrl_718533867.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_718533867.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 T0325 can't currently be optimized by undertaker # naming current conformation Pcons6_TS5 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_899103409.pdb -s /var/tmp/to_scwrl_899103409.seq -o /var/tmp/from_scwrl_899103409.pdb > /var/tmp/scwrl_899103409.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_899103409.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 T0325 can't currently be optimized by undertaker # naming current conformation Phyre-1_TS1 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_439324163.pdb -s /var/tmp/to_scwrl_439324163.seq -o /var/tmp/from_scwrl_439324163.pdb > /var/tmp/scwrl_439324163.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_439324163.pdb # conformation set from SCWRL output # naming current conformation Phyre-1_TS1-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS1 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_203999245.pdb -s /var/tmp/to_scwrl_203999245.seq -o /var/tmp/from_scwrl_203999245.pdb > /var/tmp/scwrl_203999245.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_203999245.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS1-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation Phyre-2_TS2 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1926698607.pdb -s /var/tmp/to_scwrl_1926698607.seq -o /var/tmp/from_scwrl_1926698607.pdb > /var/tmp/scwrl_1926698607.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1926698607.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 T0325 can't currently be optimized by undertaker # naming current conformation Phyre-2_TS3 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_2014126732.pdb -s /var/tmp/to_scwrl_2014126732.seq -o /var/tmp/from_scwrl_2014126732.pdb > /var/tmp/scwrl_2014126732.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2014126732.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS3-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation Phyre-2_TS4 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1618472383.pdb -s /var/tmp/to_scwrl_1618472383.seq -o /var/tmp/from_scwrl_1618472383.pdb > /var/tmp/scwrl_1618472383.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1618472383.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS4-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS5 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_806287022.pdb -s /var/tmp/to_scwrl_806287022.seq -o /var/tmp/from_scwrl_806287022.pdb > /var/tmp/scwrl_806287022.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_806287022.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 T0325 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS1 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1719853115.pdb -s /var/tmp/to_scwrl_1719853115.seq -o /var/tmp/from_scwrl_1719853115.pdb > /var/tmp/scwrl_1719853115.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1719853115.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS1-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS2 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_607367855.pdb -s /var/tmp/to_scwrl_607367855.seq -o /var/tmp/from_scwrl_607367855.pdb > /var/tmp/scwrl_607367855.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_607367855.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 237 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS3 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_712710775.pdb -s /var/tmp/to_scwrl_712710775.seq -o /var/tmp/from_scwrl_712710775.pdb > /var/tmp/scwrl_712710775.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_712710775.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 220 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS4 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1352403317.pdb -s /var/tmp/to_scwrl_1352403317.seq -o /var/tmp/from_scwrl_1352403317.pdb > /var/tmp/scwrl_1352403317.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1352403317.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS4-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS5.pdb.gz looking for model 1 # Found a chain break before 238 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS5 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_14997567.pdb -s /var/tmp/to_scwrl_14997567.seq -o /var/tmp/from_scwrl_14997567.pdb > /var/tmp/scwrl_14997567.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_14997567.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS5-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS1.pdb.gz looking for model 1 # Found a chain break before 241 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS1 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1929342745.pdb -s /var/tmp/to_scwrl_1929342745.seq -o /var/tmp/from_scwrl_1929342745.pdb > /var/tmp/scwrl_1929342745.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1929342745.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 241 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS2 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_2046085839.pdb -s /var/tmp/to_scwrl_2046085839.seq -o /var/tmp/from_scwrl_2046085839.pdb > /var/tmp/scwrl_2046085839.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2046085839.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 251 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS3 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1469053010.pdb -s /var/tmp/to_scwrl_1469053010.seq -o /var/tmp/from_scwrl_1469053010.pdb > /var/tmp/scwrl_1469053010.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1469053010.pdb # conformation set from SCWRL output # naming current conformation RAPTOR-ACE_TS3-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS4.pdb.gz looking for model 1 # Found a chain break before 261 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS4 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1097254915.pdb -s /var/tmp/to_scwrl_1097254915.seq -o /var/tmp/from_scwrl_1097254915.pdb > /var/tmp/scwrl_1097254915.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1097254915.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 227 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS5 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1532975781.pdb -s /var/tmp/to_scwrl_1532975781.seq -o /var/tmp/from_scwrl_1532975781.pdb > /var/tmp/scwrl_1532975781.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1532975781.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 255 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS1 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1187045839.pdb -s /var/tmp/to_scwrl_1187045839.seq -o /var/tmp/from_scwrl_1187045839.pdb > /var/tmp/scwrl_1187045839.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1187045839.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 258 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS2 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_609677719.pdb -s /var/tmp/to_scwrl_609677719.seq -o /var/tmp/from_scwrl_609677719.pdb > /var/tmp/scwrl_609677719.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_609677719.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 209 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS3 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1569229325.pdb -s /var/tmp/to_scwrl_1569229325.seq -o /var/tmp/from_scwrl_1569229325.pdb > /var/tmp/scwrl_1569229325.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1569229325.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 258 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS4 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1806174422.pdb -s /var/tmp/to_scwrl_1806174422.seq -o /var/tmp/from_scwrl_1806174422.pdb > /var/tmp/scwrl_1806174422.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1806174422.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 237 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS5 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1658123823.pdb -s /var/tmp/to_scwrl_1658123823.seq -o /var/tmp/from_scwrl_1658123823.pdb > /var/tmp/scwrl_1658123823.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1658123823.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 251 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS1 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_821822777.pdb -s /var/tmp/to_scwrl_821822777.seq -o /var/tmp/from_scwrl_821822777.pdb > /var/tmp/scwrl_821822777.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_821822777.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 255 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS2 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1845164358.pdb -s /var/tmp/to_scwrl_1845164358.seq -o /var/tmp/from_scwrl_1845164358.pdb > /var/tmp/scwrl_1845164358.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1845164358.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 Faking rotamer for incomplete or colinear backbone at (T0325)N107 Faking rotamer for incomplete or colinear backbone at (T0325)N107 # Found a chain break before 258 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS3 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1884489646.pdb -s /var/tmp/to_scwrl_1884489646.seq -o /var/tmp/from_scwrl_1884489646.pdb > /var/tmp/scwrl_1884489646.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1884489646.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 221 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS4 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1144559100.pdb -s /var/tmp/to_scwrl_1144559100.seq -o /var/tmp/from_scwrl_1144559100.pdb > /var/tmp/scwrl_1144559100.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1144559100.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 207 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS5 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1409981089.pdb -s /var/tmp/to_scwrl_1409981089.seq -o /var/tmp/from_scwrl_1409981089.pdb > /var/tmp/scwrl_1409981089.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1409981089.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 238 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS1 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_509700462.pdb -s /var/tmp/to_scwrl_509700462.seq -o /var/tmp/from_scwrl_509700462.pdb > /var/tmp/scwrl_509700462.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_509700462.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 239 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS2 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1650608297.pdb -s /var/tmp/to_scwrl_1650608297.seq -o /var/tmp/from_scwrl_1650608297.pdb > /var/tmp/scwrl_1650608297.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1650608297.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 237 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS3 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1683296183.pdb -s /var/tmp/to_scwrl_1683296183.seq -o /var/tmp/from_scwrl_1683296183.pdb > /var/tmp/scwrl_1683296183.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1683296183.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 220 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS4 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1228234328.pdb -s /var/tmp/to_scwrl_1228234328.seq -o /var/tmp/from_scwrl_1228234328.pdb > /var/tmp/scwrl_1228234328.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1228234328.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 241 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS5 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_402228059.pdb -s /var/tmp/to_scwrl_402228059.seq -o /var/tmp/from_scwrl_402228059.pdb > /var/tmp/scwrl_402228059.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_402228059.pdb # conformation set from SCWRL output # naming current conformation ROBETTA_TS5-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS1.pdb.gz looking for model 1 WARNING: atoms too close: (T0325)N9.CA and (T0325)N9.CB only 0.000 apart, marking (T0325)N9.CB as missing WARNING: atoms too close: (T0325)V19.CA and (T0325)V19.CB only 0.000 apart, marking (T0325)V19.CB as missing WARNING: atoms too close: (T0325)E25.CA and (T0325)E25.CB only 0.000 apart, marking (T0325)E25.CB as missing WARNING: atoms too close: (T0325)T40.CA and (T0325)T40.CB only 0.000 apart, marking (T0325)T40.CB as missing WARNING: atoms too close: (T0325)Y43.CA and (T0325)Y43.CB only 0.000 apart, marking (T0325)Y43.CB as missing WARNING: atoms too close: (T0325)P73.CA and (T0325)P73.CB only 0.000 apart, marking (T0325)P73.CB as missing WARNING: atoms too close: (T0325)R77.CA and (T0325)R77.CB only 0.000 apart, marking (T0325)R77.CB as missing WARNING: atoms too close: (T0325)V80.CA and (T0325)V80.CB only 0.000 apart, marking (T0325)V80.CB as missing WARNING: atoms too close: (T0325)D85.CA and (T0325)D85.CB only 0.000 apart, marking (T0325)D85.CB as missing WARNING: atoms too close: (T0325)A87.CA and (T0325)A87.CB only 0.000 apart, marking (T0325)A87.CB as missing WARNING: atoms too close: (T0325)F90.CA and (T0325)F90.CB only 0.000 apart, marking (T0325)F90.CB as missing WARNING: atoms too close: (T0325)S94.CA and (T0325)S94.CB only 0.000 apart, marking (T0325)S94.CB as missing WARNING: atoms too close: (T0325)E97.CA and (T0325)E97.CB only 0.000 apart, marking (T0325)E97.CB as missing WARNING: atoms too close: (T0325)E103.CA and (T0325)E103.CB only 0.000 apart, marking (T0325)E103.CB as missing WARNING: atoms too close: (T0325)E108.CA and (T0325)E108.CB only 0.000 apart, marking (T0325)E108.CB as missing WARNING: atoms too close: (T0325)I114.CA and (T0325)I114.CB only 0.000 apart, marking (T0325)I114.CB as missing WARNING: atoms too close: (T0325)D124.CA and (T0325)D124.CB only 0.000 apart, marking (T0325)D124.CB as missing WARNING: atoms too close: (T0325)V132.CA and (T0325)V132.CB only 0.000 apart, marking (T0325)V132.CB as missing WARNING: atoms too close: (T0325)A147.CA and (T0325)A147.CB only 0.000 apart, marking (T0325)A147.CB as missing WARNING: atoms too close: (T0325)Y150.CA and (T0325)Y150.CB only 0.000 apart, marking (T0325)Y150.CB as missing WARNING: atoms too close: (T0325)S160.CA and (T0325)S160.CB only 0.000 apart, marking (T0325)S160.CB as missing WARNING: atoms too close: (T0325)T163.CA and (T0325)T163.CB only 0.000 apart, marking (T0325)T163.CB as missing WARNING: atoms too close: (T0325)Y166.CA and (T0325)Y166.CB only 0.000 apart, marking (T0325)Y166.CB as missing WARNING: atoms too close: (T0325)L169.CA and (T0325)L169.CB only 0.000 apart, marking (T0325)L169.CB as missing WARNING: atoms too close: (T0325)Q171.CA and (T0325)Q171.CB only 0.000 apart, marking (T0325)Q171.CB as missing WARNING: atoms too close: (T0325)K186.CA and (T0325)K186.CB only 0.000 apart, marking (T0325)K186.CB as missing WARNING: atoms too close: (T0325)T192.CA and (T0325)T192.CB only 0.000 apart, marking (T0325)T192.CB as missing WARNING: atoms too close: (T0325)I193.CA and (T0325)I193.CB only 0.000 apart, marking (T0325)I193.CB as missing WARNING: atoms too close: (T0325)M199.CA and (T0325)M199.CB only 0.000 apart, marking (T0325)M199.CB as missing WARNING: atoms too close: (T0325)E209.CA and (T0325)E209.CB only 0.000 apart, marking (T0325)E209.CB as missing WARNING: atoms too close: (T0325)C228.CA and (T0325)C228.CB only 0.000 apart, marking (T0325)C228.CB as missing WARNING: atoms too close: (T0325)E236.CA and (T0325)E236.CB only 0.000 apart, marking (T0325)E236.CB as missing WARNING: atoms too close: (T0325)S259.CA and (T0325)S259.CB only 0.000 apart, marking (T0325)S259.CB as missing # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS1 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_2122620347.pdb -s /var/tmp/to_scwrl_2122620347.seq -o /var/tmp/from_scwrl_2122620347.pdb > /var/tmp/scwrl_2122620347.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2122620347.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS1-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS2.pdb.gz looking for model 1 WARNING: atoms too close: (T0325)K4.CA and (T0325)K4.CB only 0.000 apart, marking (T0325)K4.CB as missing WARNING: atoms too close: (T0325)Y15.CA and (T0325)Y15.CB only 0.000 apart, marking (T0325)Y15.CB as missing WARNING: atoms too close: (T0325)I23.CA and (T0325)I23.CB only 0.000 apart, marking (T0325)I23.CB as missing WARNING: atoms too close: (T0325)L38.CA and (T0325)L38.CB only 0.000 apart, marking (T0325)L38.CB as missing WARNING: atoms too close: (T0325)Y43.CA and (T0325)Y43.CB only 0.000 apart, marking (T0325)Y43.CB as missing WARNING: atoms too close: (T0325)A51.CA and (T0325)A51.CB only 0.000 apart, marking (T0325)A51.CB as missing WARNING: atoms too close: (T0325)R52.CA and (T0325)R52.CB only 0.000 apart, marking (T0325)R52.CB as missing WARNING: atoms too close: (T0325)A59.CA and (T0325)A59.CB only 0.000 apart, marking (T0325)A59.CB as missing WARNING: atoms too close: (T0325)I60.CA and (T0325)I60.CB only 0.000 apart, marking (T0325)I60.CB as missing WARNING: atoms too close: (T0325)P73.CA and (T0325)P73.CB only 0.000 apart, marking (T0325)P73.CB as missing WARNING: atoms too close: (T0325)E78.CA and (T0325)E78.CB only 0.000 apart, marking (T0325)E78.CB as missing WARNING: atoms too close: (T0325)V80.CA and (T0325)V80.CB only 0.000 apart, marking (T0325)V80.CB as missing WARNING: atoms too close: (T0325)P81.CA and (T0325)P81.CB only 0.000 apart, marking (T0325)P81.CB as missing WARNING: atoms too close: (T0325)D85.CA and (T0325)D85.CB only 0.000 apart, marking (T0325)D85.CB as missing WARNING: atoms too close: (T0325)Y89.CA and (T0325)Y89.CB only 0.000 apart, marking (T0325)Y89.CB as missing WARNING: atoms too close: (T0325)E97.CA and (T0325)E97.CB only 0.000 apart, marking (T0325)E97.CB as missing WARNING: atoms too close: (T0325)I114.CA and (T0325)I114.CB only 0.000 apart, marking (T0325)I114.CB as missing WARNING: atoms too close: (T0325)M117.CA and (T0325)M117.CB only 0.000 apart, marking (T0325)M117.CB as missing WARNING: atoms too close: (T0325)D124.CA and (T0325)D124.CB only 0.000 apart, marking (T0325)D124.CB as missing WARNING: atoms too close: (T0325)R148.CA and (T0325)R148.CB only 0.000 apart, marking (T0325)R148.CB as missing WARNING: atoms too close: (T0325)Y150.CA and (T0325)Y150.CB only 0.000 apart, marking (T0325)Y150.CB as missing WARNING: atoms too close: (T0325)L154.CA and (T0325)L154.CB only 0.000 apart, marking (T0325)L154.CB as missing WARNING: atoms too close: (T0325)R155.CA and (T0325)R155.CB only 0.000 apart, marking (T0325)R155.CB as missing WARNING: atoms too close: (T0325)S158.CA and (T0325)S158.CB only 0.000 apart, marking (T0325)S158.CB as missing WARNING: atoms too close: (T0325)K164.CA and (T0325)K164.CB only 0.000 apart, marking (T0325)K164.CB as missing WARNING: atoms too close: (T0325)V173.CA and (T0325)V173.CB only 0.000 apart, marking (T0325)V173.CB as missing WARNING: atoms too close: (T0325)Y184.CA and (T0325)Y184.CB only 0.000 apart, marking (T0325)Y184.CB as missing WARNING: atoms too close: (T0325)I193.CA and (T0325)I193.CB only 0.000 apart, marking (T0325)I193.CB as missing WARNING: atoms too close: (T0325)L194.CA and (T0325)L194.CB only 0.000 apart, marking (T0325)L194.CB as missing WARNING: atoms too close: (T0325)Q222.CA and (T0325)Q222.CB only 0.000 apart, marking (T0325)Q222.CB as missing WARNING: atoms too close: (T0325)C228.CA and (T0325)C228.CB only 0.000 apart, marking (T0325)C228.CB as missing WARNING: atoms too close: (T0325)E236.CA and (T0325)E236.CB only 0.000 apart, marking (T0325)E236.CB as missing WARNING: atoms too close: (T0325)Q241.CA and (T0325)Q241.CB only 0.000 apart, marking (T0325)Q241.CB as missing WARNING: atoms too close: (T0325)K244.CA and (T0325)K244.CB only 0.000 apart, marking (T0325)K244.CB as missing WARNING: atoms too close: (T0325)E249.CA and (T0325)E249.CB only 0.000 apart, marking (T0325)E249.CB as missing WARNING: atoms too close: (T0325)L253.CA and (T0325)L253.CB only 0.000 apart, marking (T0325)L253.CB as missing WARNING: atoms too close: (T0325)M262.CA and (T0325)M262.CB only 0.000 apart, marking (T0325)M262.CB as missing # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS2 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1432233574.pdb -s /var/tmp/to_scwrl_1432233574.seq -o /var/tmp/from_scwrl_1432233574.pdb > /var/tmp/scwrl_1432233574.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1432233574.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS2-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS3.pdb.gz looking for model 1 WARNING: atoms too close: (T0325)S2.CA and (T0325)S2.CB only 0.000 apart, marking (T0325)S2.CB as missing WARNING: atoms too close: (T0325)I7.CA and (T0325)I7.CB only 0.000 apart, marking (T0325)I7.CB as missing WARNING: atoms too close: (T0325)D11.CA and (T0325)D11.CB only 0.000 apart, marking (T0325)D11.CB as missing WARNING: atoms too close: (T0325)F13.CA and (T0325)F13.CB only 0.000 apart, marking (T0325)F13.CB as missing WARNING: atoms too close: (T0325)Q21.CA and (T0325)Q21.CB only 0.000 apart, marking (T0325)Q21.CB as missing WARNING: atoms too close: (T0325)L38.CA and (T0325)L38.CB only 0.000 apart, marking (T0325)L38.CB as missing WARNING: atoms too close: (T0325)T40.CA and (T0325)T40.CB only 0.000 apart, marking (T0325)T40.CB as missing WARNING: atoms too close: (T0325)S41.CA and (T0325)S41.CB only 0.000 apart, marking (T0325)S41.CB as missing WARNING: atoms too close: (T0325)P56.CA and (T0325)P56.CB only 0.000 apart, marking (T0325)P56.CB as missing WARNING: atoms too close: (T0325)T65.CA and (T0325)T65.CB only 0.000 apart, marking (T0325)T65.CB as missing WARNING: atoms too close: (T0325)S82.CA and (T0325)S82.CB only 0.000 apart, marking (T0325)S82.CB as missing WARNING: atoms too close: (T0325)V84.CA and (T0325)V84.CB only 0.000 apart, marking (T0325)V84.CB as missing WARNING: atoms too close: (T0325)F90.CA and (T0325)F90.CB only 0.000 apart, marking (T0325)F90.CB as missing WARNING: atoms too close: (T0325)V105.CA and (T0325)V105.CB only 0.000 apart, marking (T0325)V105.CB as missing WARNING: atoms too close: (T0325)I114.CA and (T0325)I114.CB only 0.000 apart, marking (T0325)I114.CB as missing WARNING: atoms too close: (T0325)H125.CA and (T0325)H125.CB only 0.000 apart, marking (T0325)H125.CB as missing WARNING: atoms too close: (T0325)D127.CA and (T0325)D127.CB only 0.000 apart, marking (T0325)D127.CB as missing WARNING: atoms too close: (T0325)K138.CA and (T0325)K138.CB only 0.000 apart, marking (T0325)K138.CB as missing WARNING: atoms too close: (T0325)A147.CA and (T0325)A147.CB only 0.000 apart, marking (T0325)A147.CB as missing WARNING: atoms too close: (T0325)K149.CA and (T0325)K149.CB only 0.000 apart, marking (T0325)K149.CB as missing WARNING: atoms too close: (T0325)Y150.CA and (T0325)Y150.CB only 0.000 apart, marking (T0325)Y150.CB as missing WARNING: atoms too close: (T0325)K164.CA and (T0325)K164.CB only 0.000 apart, marking (T0325)K164.CB as missing WARNING: atoms too close: (T0325)Q171.CA and (T0325)Q171.CB only 0.000 apart, marking (T0325)Q171.CB as missing WARNING: atoms too close: (T0325)K186.CA and (T0325)K186.CB only 0.000 apart, marking (T0325)K186.CB as missing WARNING: atoms too close: (T0325)I188.CA and (T0325)I188.CB only 0.000 apart, marking (T0325)I188.CB as missing WARNING: atoms too close: (T0325)T190.CA and (T0325)T190.CB only 0.000 apart, marking (T0325)T190.CB as missing WARNING: atoms too close: (T0325)L194.CA and (T0325)L194.CB only 0.000 apart, marking (T0325)L194.CB as missing WARNING: atoms too close: (T0325)L196.CA and (T0325)L196.CB only 0.000 apart, marking (T0325)L196.CB as missing WARNING: atoms too close: (T0325)I210.CA and (T0325)I210.CB only 0.000 apart, marking (T0325)I210.CB as missing WARNING: atoms too close: (T0325)R231.CA and (T0325)R231.CB only 0.000 apart, marking (T0325)R231.CB as missing WARNING: atoms too close: (T0325)L238.CA and (T0325)L238.CB only 0.000 apart, marking (T0325)L238.CB as missing WARNING: atoms too close: (T0325)R250.CA and (T0325)R250.CB only 0.000 apart, marking (T0325)R250.CB as missing WARNING: atoms too close: (T0325)L253.CA and (T0325)L253.CB only 0.000 apart, marking (T0325)L253.CB as missing WARNING: atoms too close: (T0325)A255.CA and (T0325)A255.CB only 0.000 apart, marking (T0325)A255.CB as missing WARNING: atoms too close: (T0325)S259.CA and (T0325)S259.CB only 0.000 apart, marking (T0325)S259.CB as missing WARNING: atoms too close: (T0325)M262.CA and (T0325)M262.CB only 0.000 apart, marking (T0325)M262.CB as missing # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS3 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_181443019.pdb -s /var/tmp/to_scwrl_181443019.seq -o /var/tmp/from_scwrl_181443019.pdb > /var/tmp/scwrl_181443019.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_181443019.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS3-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS4.pdb.gz looking for model 1 WARNING: atoms too close: (T0325)M1.CA and (T0325)M1.CB only 0.000 apart, marking (T0325)M1.CB as missing WARNING: atoms too close: (T0325)K4.CA and (T0325)K4.CB only 0.000 apart, marking (T0325)K4.CB as missing WARNING: atoms too close: (T0325)I24.CA and (T0325)I24.CB only 0.000 apart, marking (T0325)I24.CB as missing WARNING: atoms too close: (T0325)Y43.CA and (T0325)Y43.CB only 0.000 apart, marking (T0325)Y43.CB as missing WARNING: atoms too close: (T0325)R52.CA and (T0325)R52.CB only 0.000 apart, marking (T0325)R52.CB as missing WARNING: atoms too close: (T0325)P56.CA and (T0325)P56.CB only 0.000 apart, marking (T0325)P56.CB as missing WARNING: atoms too close: (T0325)L58.CA and (T0325)L58.CB only 0.000 apart, marking (T0325)L58.CB as missing WARNING: atoms too close: (T0325)A59.CA and (T0325)A59.CB only 0.000 apart, marking (T0325)A59.CB as missing WARNING: atoms too close: (T0325)I60.CA and (T0325)I60.CB only 0.000 apart, marking (T0325)I60.CB as missing WARNING: atoms too close: (T0325)T65.CA and (T0325)T65.CB only 0.000 apart, marking (T0325)T65.CB as missing WARNING: atoms too close: (T0325)R77.CA and (T0325)R77.CB only 0.000 apart, marking (T0325)R77.CB as missing WARNING: atoms too close: (T0325)E97.CA and (T0325)E97.CB only 0.000 apart, marking (T0325)E97.CB as missing WARNING: atoms too close: (T0325)N101.CA and (T0325)N101.CB only 0.000 apart, marking (T0325)N101.CB as missing WARNING: atoms too close: (T0325)I113.CA and (T0325)I113.CB only 0.000 apart, marking (T0325)I113.CB as missing WARNING: atoms too close: (T0325)F116.CA and (T0325)F116.CB only 0.000 apart, marking (T0325)F116.CB as missing WARNING: atoms too close: (T0325)M117.CA and (T0325)M117.CB only 0.000 apart, marking (T0325)M117.CB as missing WARNING: atoms too close: (T0325)R122.CA and (T0325)R122.CB only 0.000 apart, marking (T0325)R122.CB as missing WARNING: atoms too close: (T0325)D124.CA and (T0325)D124.CB only 0.000 apart, marking (T0325)D124.CB as missing WARNING: atoms too close: (T0325)H129.CA and (T0325)H129.CB only 0.000 apart, marking (T0325)H129.CB as missing WARNING: atoms too close: (T0325)A145.CA and (T0325)A145.CB only 0.000 apart, marking (T0325)A145.CB as missing WARNING: atoms too close: (T0325)L146.CA and (T0325)L146.CB only 0.000 apart, marking (T0325)L146.CB as missing WARNING: atoms too close: (T0325)K149.CA and (T0325)K149.CB only 0.000 apart, marking (T0325)K149.CB as missing WARNING: atoms too close: (T0325)Y150.CA and (T0325)Y150.CB only 0.000 apart, marking (T0325)Y150.CB as missing WARNING: atoms too close: (T0325)T163.CA and (T0325)T163.CB only 0.000 apart, marking (T0325)T163.CB as missing WARNING: atoms too close: (T0325)D177.CA and (T0325)D177.CB only 0.000 apart, marking (T0325)D177.CB as missing WARNING: atoms too close: (T0325)K186.CA and (T0325)K186.CB only 0.000 apart, marking (T0325)K186.CB as missing WARNING: atoms too close: (T0325)I193.CA and (T0325)I193.CB only 0.000 apart, marking (T0325)I193.CB as missing WARNING: atoms too close: (T0325)L197.CA and (T0325)L197.CB only 0.000 apart, marking (T0325)L197.CB as missing WARNING: atoms too close: (T0325)S203.CA and (T0325)S203.CB only 0.000 apart, marking (T0325)S203.CB as missing WARNING: atoms too close: (T0325)V207.CA and (T0325)V207.CB only 0.000 apart, marking (T0325)V207.CB as missing WARNING: atoms too close: (T0325)C212.CA and (T0325)C212.CB only 0.000 apart, marking (T0325)C212.CB as missing WARNING: atoms too close: (T0325)H213.CA and (T0325)H213.CB only 0.000 apart, marking (T0325)H213.CB as missing WARNING: atoms too close: (T0325)N223.CA and (T0325)N223.CB only 0.000 apart, marking (T0325)N223.CB as missing WARNING: atoms too close: (T0325)S225.CA and (T0325)S225.CB only 0.000 apart, marking (T0325)S225.CB as missing WARNING: atoms too close: (T0325)L238.CA and (T0325)L238.CB only 0.000 apart, marking (T0325)L238.CB as missing WARNING: atoms too close: (T0325)L253.CA and (T0325)L253.CB only 0.000 apart, marking (T0325)L253.CB as missing WARNING: atoms too close: (T0325)A255.CA and (T0325)A255.CB only 0.000 apart, marking (T0325)A255.CB as missing WARNING: atoms too close: (T0325)S259.CA and (T0325)S259.CB only 0.000 apart, marking (T0325)S259.CB as missing # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS4 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1989263432.pdb -s /var/tmp/to_scwrl_1989263432.seq -o /var/tmp/from_scwrl_1989263432.pdb > /var/tmp/scwrl_1989263432.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1989263432.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS4-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS5.pdb.gz looking for model 1 WARNING: atoms too close: (T0325)S2.CA and (T0325)S2.CB only 0.000 apart, marking (T0325)S2.CB as missing WARNING: atoms too close: (T0325)N9.CA and (T0325)N9.CB only 0.000 apart, marking (T0325)N9.CB as missing WARNING: atoms too close: (T0325)Q21.CA and (T0325)Q21.CB only 0.000 apart, marking (T0325)Q21.CB as missing WARNING: atoms too close: (T0325)I24.CA and (T0325)I24.CB only 0.000 apart, marking (T0325)I24.CB as missing WARNING: atoms too close: (T0325)M48.CA and (T0325)M48.CB only 0.000 apart, marking (T0325)M48.CB as missing WARNING: atoms too close: (T0325)A51.CA and (T0325)A51.CB only 0.000 apart, marking (T0325)A51.CB as missing WARNING: atoms too close: (T0325)A55.CA and (T0325)A55.CB only 0.000 apart, marking (T0325)A55.CB as missing WARNING: atoms too close: (T0325)L58.CA and (T0325)L58.CB only 0.000 apart, marking (T0325)L58.CB as missing WARNING: atoms too close: (T0325)I60.CA and (T0325)I60.CB only 0.000 apart, marking (T0325)I60.CB as missing WARNING: atoms too close: (T0325)L64.CA and (T0325)L64.CB only 0.000 apart, marking (T0325)L64.CB as missing WARNING: atoms too close: (T0325)Q70.CA and (T0325)Q70.CB only 0.000 apart, marking (T0325)Q70.CB as missing WARNING: atoms too close: (T0325)K72.CA and (T0325)K72.CB only 0.000 apart, marking (T0325)K72.CB as missing WARNING: atoms too close: (T0325)M79.CA and (T0325)M79.CB only 0.000 apart, marking (T0325)M79.CB as missing WARNING: atoms too close: (T0325)A87.CA and (T0325)A87.CB only 0.000 apart, marking (T0325)A87.CB as missing WARNING: atoms too close: (T0325)F90.CA and (T0325)F90.CB only 0.000 apart, marking (T0325)F90.CB as missing WARNING: atoms too close: (T0325)V100.CA and (T0325)V100.CB only 0.000 apart, marking (T0325)V100.CB as missing WARNING: atoms too close: (T0325)N101.CA and (T0325)N101.CB only 0.000 apart, marking (T0325)N101.CB as missing WARNING: atoms too close: (T0325)V105.CA and (T0325)V105.CB only 0.000 apart, marking (T0325)V105.CB as missing WARNING: atoms too close: (T0325)H125.CA and (T0325)H125.CB only 0.000 apart, marking (T0325)H125.CB as missing WARNING: atoms too close: (T0325)H130.CA and (T0325)H130.CB only 0.000 apart, marking (T0325)H130.CB as missing WARNING: atoms too close: (T0325)K149.CA and (T0325)K149.CB only 0.000 apart, marking (T0325)K149.CB as missing WARNING: atoms too close: (T0325)L152.CA and (T0325)L152.CB only 0.000 apart, marking (T0325)L152.CB as missing WARNING: atoms too close: (T0325)A157.CA and (T0325)A157.CB only 0.000 apart, marking (T0325)A157.CB as missing WARNING: atoms too close: (T0325)L169.CA and (T0325)L169.CB only 0.000 apart, marking (T0325)L169.CB as missing WARNING: atoms too close: (T0325)Q171.CA and (T0325)Q171.CB only 0.000 apart, marking (T0325)Q171.CB as missing WARNING: atoms too close: (T0325)T175.CA and (T0325)T175.CB only 0.000 apart, marking (T0325)T175.CB as missing WARNING: atoms too close: (T0325)L180.CA and (T0325)L180.CB only 0.000 apart, marking (T0325)L180.CB as missing WARNING: atoms too close: (T0325)Q182.CA and (T0325)Q182.CB only 0.000 apart, marking (T0325)Q182.CB as missing WARNING: atoms too close: (T0325)F183.CA and (T0325)F183.CB only 0.000 apart, marking (T0325)F183.CB as missing WARNING: atoms too close: (T0325)S189.CA and (T0325)S189.CB only 0.000 apart, marking (T0325)S189.CB as missing WARNING: atoms too close: (T0325)E206.CA and (T0325)E206.CB only 0.000 apart, marking (T0325)E206.CB as missing WARNING: atoms too close: (T0325)F208.CA and (T0325)F208.CB only 0.000 apart, marking (T0325)F208.CB as missing WARNING: atoms too close: (T0325)H213.CA and (T0325)H213.CB only 0.000 apart, marking (T0325)H213.CB as missing WARNING: atoms too close: (T0325)I232.CA and (T0325)I232.CB only 0.000 apart, marking (T0325)I232.CB as missing WARNING: atoms too close: (T0325)E236.CA and (T0325)E236.CB only 0.000 apart, marking (T0325)E236.CB as missing WARNING: atoms too close: (T0325)K244.CA and (T0325)K244.CB only 0.000 apart, marking (T0325)K244.CB as missing WARNING: atoms too close: (T0325)A246.CA and (T0325)A246.CB only 0.000 apart, marking (T0325)A246.CB as missing WARNING: atoms too close: (T0325)R250.CA and (T0325)R250.CB only 0.000 apart, marking (T0325)R250.CB as missing WARNING: atoms too close: (T0325)A255.CA and (T0325)A255.CB only 0.000 apart, marking (T0325)A255.CB as missing WARNING: atoms too close: (T0325)M262.CA and (T0325)M262.CB only 0.000 apart, marking (T0325)M262.CB as missing # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS5 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_903222311.pdb -s /var/tmp/to_scwrl_903222311.seq -o /var/tmp/from_scwrl_903222311.pdb > /var/tmp/scwrl_903222311.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_903222311.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS5-scwrl # ReadConformPDB reading from PDB file servers/SAM-T02_AL1.pdb.gz looking for model 1 Skipped atom 2, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 4, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 6, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 8, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 10, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 12, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 14, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 16, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 18, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 20, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 22, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 24, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 94, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 96, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 98, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 100, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 102, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 104, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 106, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 108, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 122, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 124, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 126, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 128, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 142, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 144, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 146, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 148, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 170, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 172, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 174, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 176, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 190, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 192, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 194, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 196, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 242, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 244, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 246, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 248, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 250, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 252, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 254, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 256, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 258, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 260, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 262, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 264, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 278, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 280, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 282, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 284, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 286, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 288, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 290, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 292, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 294, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 296, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 298, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 300, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL1 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_987730042.pdb -s /var/tmp/to_scwrl_987730042.seq -o /var/tmp/from_scwrl_987730042.pdb > /var/tmp/scwrl_987730042.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_987730042.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 T0325 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL2 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1561632900.pdb -s /var/tmp/to_scwrl_1561632900.seq -o /var/tmp/from_scwrl_1561632900.pdb > /var/tmp/scwrl_1561632900.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1561632900.pdb # conformation set from SCWRL output # naming current conformation SAM-T02_AL2-scwrl # ReadConformPDB reading from PDB file servers/SAM-T02_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL3 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1510590165.pdb -s /var/tmp/to_scwrl_1510590165.seq -o /var/tmp/from_scwrl_1510590165.pdb > /var/tmp/scwrl_1510590165.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1510590165.pdb # conformation set from SCWRL output # naming current conformation SAM-T02_AL3-scwrl # ReadConformPDB reading from PDB file servers/SAM-T02_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL4 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1700440816.pdb -s /var/tmp/to_scwrl_1700440816.seq -o /var/tmp/from_scwrl_1700440816.pdb > /var/tmp/scwrl_1700440816.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1700440816.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 T0325 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL5 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_766552571.pdb -s /var/tmp/to_scwrl_766552571.seq -o /var/tmp/from_scwrl_766552571.pdb > /var/tmp/scwrl_766552571.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_766552571.pdb # conformation set from SCWRL output # naming current conformation SAM-T02_AL5-scwrl # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS1.pdb.gz looking for model 1 # Found a chain break before 257 # copying to AlignedFragments data structure # naming current conformation SAM_T06_server_TS1 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1525587733.pdb -s /var/tmp/to_scwrl_1525587733.seq -o /var/tmp/from_scwrl_1525587733.pdb > /var/tmp/scwrl_1525587733.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1525587733.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 T0325 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS2 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1482299914.pdb -s /var/tmp/to_scwrl_1482299914.seq -o /var/tmp/from_scwrl_1482299914.pdb > /var/tmp/scwrl_1482299914.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1482299914.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 T0325 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS3 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_665154764.pdb -s /var/tmp/to_scwrl_665154764.seq -o /var/tmp/from_scwrl_665154764.pdb > /var/tmp/scwrl_665154764.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_665154764.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 T0325 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS4 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_847157097.pdb -s /var/tmp/to_scwrl_847157097.seq -o /var/tmp/from_scwrl_847157097.pdb > /var/tmp/scwrl_847157097.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_847157097.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 T0325 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS5 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_432071184.pdb -s /var/tmp/to_scwrl_432071184.seq -o /var/tmp/from_scwrl_432071184.pdb > /var/tmp/scwrl_432071184.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_432071184.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 241 # copying to AlignedFragments data structure # naming current conformation SP3_TS1 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_50646898.pdb -s /var/tmp/to_scwrl_50646898.seq -o /var/tmp/from_scwrl_50646898.pdb > /var/tmp/scwrl_50646898.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_50646898.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 241 # copying to AlignedFragments data structure # naming current conformation SP3_TS2 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_2034202936.pdb -s /var/tmp/to_scwrl_2034202936.seq -o /var/tmp/from_scwrl_2034202936.pdb > /var/tmp/scwrl_2034202936.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2034202936.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 238 # copying to AlignedFragments data structure # naming current conformation SP3_TS3 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1041748903.pdb -s /var/tmp/to_scwrl_1041748903.seq -o /var/tmp/from_scwrl_1041748903.pdb > /var/tmp/scwrl_1041748903.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1041748903.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 259 # copying to AlignedFragments data structure # naming current conformation SP3_TS4 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1619876223.pdb -s /var/tmp/to_scwrl_1619876223.seq -o /var/tmp/from_scwrl_1619876223.pdb > /var/tmp/scwrl_1619876223.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1619876223.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 260 # copying to AlignedFragments data structure # naming current conformation SP3_TS5 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1692893712.pdb -s /var/tmp/to_scwrl_1692893712.seq -o /var/tmp/from_scwrl_1692893712.pdb > /var/tmp/scwrl_1692893712.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1692893712.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 251 # copying to AlignedFragments data structure # naming current conformation SP4_TS1 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_552389080.pdb -s /var/tmp/to_scwrl_552389080.seq -o /var/tmp/from_scwrl_552389080.pdb > /var/tmp/scwrl_552389080.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_552389080.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 254 # copying to AlignedFragments data structure # naming current conformation SP4_TS2 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_294215353.pdb -s /var/tmp/to_scwrl_294215353.seq -o /var/tmp/from_scwrl_294215353.pdb > /var/tmp/scwrl_294215353.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_294215353.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 260 # copying to AlignedFragments data structure # naming current conformation SP4_TS3 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1390574423.pdb -s /var/tmp/to_scwrl_1390574423.seq -o /var/tmp/from_scwrl_1390574423.pdb > /var/tmp/scwrl_1390574423.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1390574423.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 213 # copying to AlignedFragments data structure # naming current conformation SP4_TS4 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_289395079.pdb -s /var/tmp/to_scwrl_289395079.seq -o /var/tmp/from_scwrl_289395079.pdb > /var/tmp/scwrl_289395079.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_289395079.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 249 # copying to AlignedFragments data structure # naming current conformation SP4_TS5 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1438774453.pdb -s /var/tmp/to_scwrl_1438774453.seq -o /var/tmp/from_scwrl_1438774453.pdb > /var/tmp/scwrl_1438774453.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1438774453.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 230 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS1 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_653071867.pdb -s /var/tmp/to_scwrl_653071867.seq -o /var/tmp/from_scwrl_653071867.pdb > /var/tmp/scwrl_653071867.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_653071867.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 236 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS2 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_799095542.pdb -s /var/tmp/to_scwrl_799095542.seq -o /var/tmp/from_scwrl_799095542.pdb > /var/tmp/scwrl_799095542.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_799095542.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 261 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS3 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_941899105.pdb -s /var/tmp/to_scwrl_941899105.seq -o /var/tmp/from_scwrl_941899105.pdb > /var/tmp/scwrl_941899105.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_941899105.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 261 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS4 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_188884403.pdb -s /var/tmp/to_scwrl_188884403.seq -o /var/tmp/from_scwrl_188884403.pdb > /var/tmp/scwrl_188884403.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_188884403.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 248 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS5 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_2027329870.pdb -s /var/tmp/to_scwrl_2027329870.seq -o /var/tmp/from_scwrl_2027329870.pdb > /var/tmp/scwrl_2027329870.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2027329870.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 T0325 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS1 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1344127163.pdb -s /var/tmp/to_scwrl_1344127163.seq -o /var/tmp/from_scwrl_1344127163.pdb > /var/tmp/scwrl_1344127163.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1344127163.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 T0325 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS2 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_164021103.pdb -s /var/tmp/to_scwrl_164021103.seq -o /var/tmp/from_scwrl_164021103.pdb > /var/tmp/scwrl_164021103.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_164021103.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 T0325 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS3 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1312079797.pdb -s /var/tmp/to_scwrl_1312079797.seq -o /var/tmp/from_scwrl_1312079797.pdb > /var/tmp/scwrl_1312079797.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1312079797.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 T0325 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS4 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1525570183.pdb -s /var/tmp/to_scwrl_1525570183.seq -o /var/tmp/from_scwrl_1525570183.pdb > /var/tmp/scwrl_1525570183.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1525570183.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 T0325 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS5 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_5800888.pdb -s /var/tmp/to_scwrl_5800888.seq -o /var/tmp/from_scwrl_5800888.pdb > /var/tmp/scwrl_5800888.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_5800888.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_bnmx_TS5-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_expm_TS1.pdb.gz looking for model 1 WARNING: atoms too close: (T0325)A157.CA and (T0325)D177.CA only 0.000 apart, marking (T0325)D177.CA as missing WARNING: atoms too close: (T0325)S158.CA and (T0325)E178.CA only 0.000 apart, marking (T0325)E178.CA as missing # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation UNI-EID_expm_TS1 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_67818461.pdb -s /var/tmp/to_scwrl_67818461.seq -o /var/tmp/from_scwrl_67818461.pdb > /var/tmp/scwrl_67818461.log Error: Couldn't open file /var/tmp/from_scwrl_67818461.pdb or /var/tmp/from_scwrl_67818461.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_67818461_b.pdb or decoys//var/tmp/from_scwrl_67818461_b.pdb.gz for input Trying /var/tmp/from_scwrl_67818461_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_67818461_b.pdb or /var/tmp/from_scwrl_67818461_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_67818461_a.pdb or decoys//var/tmp/from_scwrl_67818461_a.pdb.gz for input Trying /var/tmp/from_scwrl_67818461_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_67818461_a.pdb or /var/tmp/from_scwrl_67818461_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_67818461.pdb or /var/tmp/from_scwrl_67818461_b.pdb or /var/tmp/from_scwrl_67818461_a.pdb Error: no new SCWRL conformation added # naming current conformation UNI-EID_expm_TS1-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL1 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_365816578.pdb -s /var/tmp/to_scwrl_365816578.seq -o /var/tmp/from_scwrl_365816578.pdb > /var/tmp/scwrl_365816578.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_365816578.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 13, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 14, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 15, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 16, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 25, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 26, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 27, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 28, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 157, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 158, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 159, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 160, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 165, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 166, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 167, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 168, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 193, 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 207, 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 209, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 310, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 311, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 312, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 313, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 314, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 327, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 328, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 329, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 330, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 383, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 384, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 385, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 386, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL2 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1567433788.pdb -s /var/tmp/to_scwrl_1567433788.seq -o /var/tmp/from_scwrl_1567433788.pdb > /var/tmp/scwrl_1567433788.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1567433788.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 Skipped atom 57, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 170, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 255, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 308, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 313, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 366, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 419, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 420, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 465, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 526, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 675, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 688, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 705, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL3 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1578408627.pdb -s /var/tmp/to_scwrl_1578408627.seq -o /var/tmp/from_scwrl_1578408627.pdb > /var/tmp/scwrl_1578408627.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1578408627.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_sfst_AL3-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL4.pdb.gz looking for model 1 Skipped atom 139, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 152, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 221, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 266, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 311, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 316, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL4 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_2066257394.pdb -s /var/tmp/to_scwrl_2066257394.seq -o /var/tmp/from_scwrl_2066257394.pdb > /var/tmp/scwrl_2066257394.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2066257394.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_sfst_AL4-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL5 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_186502713.pdb -s /var/tmp/to_scwrl_186502713.seq -o /var/tmp/from_scwrl_186502713.pdb > /var/tmp/scwrl_186502713.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_186502713.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 260 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS1 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_956512714.pdb -s /var/tmp/to_scwrl_956512714.seq -o /var/tmp/from_scwrl_956512714.pdb > /var/tmp/scwrl_956512714.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_956512714.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 260 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS2 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1401073662.pdb -s /var/tmp/to_scwrl_1401073662.seq -o /var/tmp/from_scwrl_1401073662.pdb > /var/tmp/scwrl_1401073662.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1401073662.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 257 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS3 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_851657477.pdb -s /var/tmp/to_scwrl_851657477.seq -o /var/tmp/from_scwrl_851657477.pdb > /var/tmp/scwrl_851657477.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_851657477.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 256 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS4 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1803669810.pdb -s /var/tmp/to_scwrl_1803669810.seq -o /var/tmp/from_scwrl_1803669810.pdb > /var/tmp/scwrl_1803669810.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1803669810.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 240 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS5 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1833144846.pdb -s /var/tmp/to_scwrl_1833144846.seq -o /var/tmp/from_scwrl_1833144846.pdb > /var/tmp/scwrl_1833144846.log sh: line 1: 23319 Killed scwrl3 -i /var/tmp/to_scwrl_1833144846.pdb -s /var/tmp/to_scwrl_1833144846.seq -o /var/tmp/from_scwrl_1833144846.pdb >/var/tmp/scwrl_1833144846.log Error: Couldn't open file /var/tmp/from_scwrl_1833144846.pdb or /var/tmp/from_scwrl_1833144846.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1833144846_b.pdb or decoys//var/tmp/from_scwrl_1833144846_b.pdb.gz for input Trying /var/tmp/from_scwrl_1833144846_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1833144846_b.pdb or /var/tmp/from_scwrl_1833144846_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1833144846_a.pdb or decoys//var/tmp/from_scwrl_1833144846_a.pdb.gz for input Trying /var/tmp/from_scwrl_1833144846_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1833144846_a.pdb or /var/tmp/from_scwrl_1833144846_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1833144846.pdb or /var/tmp/from_scwrl_1833144846_b.pdb or /var/tmp/from_scwrl_1833144846_a.pdb Error: no new SCWRL conformation added # 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 260 # copying to AlignedFragments data structure # naming current conformation beautshot_TS1 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_902304375.pdb -s /var/tmp/to_scwrl_902304375.seq -o /var/tmp/from_scwrl_902304375.pdb > /var/tmp/scwrl_902304375.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_902304375.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 261 # copying to AlignedFragments data structure # naming current conformation beautshotbase_TS1 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1690389100.pdb -s /var/tmp/to_scwrl_1690389100.seq -o /var/tmp/from_scwrl_1690389100.pdb > /var/tmp/scwrl_1690389100.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1690389100.pdb # conformation set from SCWRL output # naming current conformation beautshotbase_TS1-scwrl # ReadConformPDB reading from PDB file servers/forecast-s_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation forecast-s_AL1 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_727410102.pdb -s /var/tmp/to_scwrl_727410102.seq -o /var/tmp/from_scwrl_727410102.pdb > /var/tmp/scwrl_727410102.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_727410102.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 T0325 can't currently be optimized by undertaker # naming current conformation forecast-s_AL2 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_374696951.pdb -s /var/tmp/to_scwrl_374696951.seq -o /var/tmp/from_scwrl_374696951.pdb > /var/tmp/scwrl_374696951.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_374696951.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 T0325 can't currently be optimized by undertaker # naming current conformation forecast-s_AL3 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1235799165.pdb -s /var/tmp/to_scwrl_1235799165.seq -o /var/tmp/from_scwrl_1235799165.pdb > /var/tmp/scwrl_1235799165.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1235799165.pdb # conformation set from SCWRL output # naming current conformation forecast-s_AL3-scwrl # ReadConformPDB reading from PDB file servers/forecast-s_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation forecast-s_AL4 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1279799181.pdb -s /var/tmp/to_scwrl_1279799181.seq -o /var/tmp/from_scwrl_1279799181.pdb > /var/tmp/scwrl_1279799181.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1279799181.pdb # conformation set from SCWRL output # naming current conformation forecast-s_AL4-scwrl # ReadConformPDB reading from PDB file servers/forecast-s_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation forecast-s_AL5 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_668912304.pdb -s /var/tmp/to_scwrl_668912304.seq -o /var/tmp/from_scwrl_668912304.pdb > /var/tmp/scwrl_668912304.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_668912304.pdb # conformation set from SCWRL output # naming current conformation forecast-s_AL5-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS1.pdb.gz looking for model 1 # Found a chain break before 253 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS1 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_478889942.pdb -s /var/tmp/to_scwrl_478889942.seq -o /var/tmp/from_scwrl_478889942.pdb > /var/tmp/scwrl_478889942.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_478889942.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 254 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS2 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1569194261.pdb -s /var/tmp/to_scwrl_1569194261.seq -o /var/tmp/from_scwrl_1569194261.pdb > /var/tmp/scwrl_1569194261.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1569194261.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 235 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS3 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_2107686757.pdb -s /var/tmp/to_scwrl_2107686757.seq -o /var/tmp/from_scwrl_2107686757.pdb > /var/tmp/scwrl_2107686757.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2107686757.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 251 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS4 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1131961808.pdb -s /var/tmp/to_scwrl_1131961808.seq -o /var/tmp/from_scwrl_1131961808.pdb > /var/tmp/scwrl_1131961808.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1131961808.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 256 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS5 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_220806156.pdb -s /var/tmp/to_scwrl_220806156.seq -o /var/tmp/from_scwrl_220806156.pdb > /var/tmp/scwrl_220806156.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_220806156.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: (T0325)N9.O and (T0325)A10.N only 0.000 apart, marking (T0325)A10.N as missing # WARNING: incomplete conformation T0325 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 236 ; scwrl3 -i /var/tmp/to_scwrl_902102215.pdb -s /var/tmp/to_scwrl_902102215.seq -o /var/tmp/from_scwrl_902102215.pdb > /var/tmp/scwrl_902102215.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_902102215.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS1-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS2.pdb.gz looking for model 1 WARNING: atoms too close: (T0325)S2.O and (T0325)N3.N only 0.000 apart, marking (T0325)N3.N as missing # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS2 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1320846212.pdb -s /var/tmp/to_scwrl_1320846212.seq -o /var/tmp/from_scwrl_1320846212.pdb > /var/tmp/scwrl_1320846212.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1320846212.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS2-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS3.pdb.gz looking for model 1 # Found a chain break before 259 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS3 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_100652379.pdb -s /var/tmp/to_scwrl_100652379.seq -o /var/tmp/from_scwrl_100652379.pdb > /var/tmp/scwrl_100652379.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_100652379.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: (T0325)A87.O and (T0325)G88.N only 0.000 apart, marking (T0325)G88.N as missing # WARNING: incomplete conformation T0325 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 236 ; scwrl3 -i /var/tmp/to_scwrl_98745732.pdb -s /var/tmp/to_scwrl_98745732.seq -o /var/tmp/from_scwrl_98745732.pdb > /var/tmp/scwrl_98745732.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_98745732.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: (T0325)T33.O and (T0325)S34.N only 0.000 apart, marking (T0325)S34.N as missing WARNING: atoms too close: (T0325)A87.O and (T0325)G88.N only 0.000 apart, marking (T0325)G88.N as missing # WARNING: incomplete conformation T0325 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 236 ; scwrl3 -i /var/tmp/to_scwrl_1484867315.pdb -s /var/tmp/to_scwrl_1484867315.seq -o /var/tmp/from_scwrl_1484867315.pdb > /var/tmp/scwrl_1484867315.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1484867315.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS5-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS1 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1412732177.pdb -s /var/tmp/to_scwrl_1412732177.seq -o /var/tmp/from_scwrl_1412732177.pdb > /var/tmp/scwrl_1412732177.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1412732177.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 T0325 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS2 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1624315915.pdb -s /var/tmp/to_scwrl_1624315915.seq -o /var/tmp/from_scwrl_1624315915.pdb > /var/tmp/scwrl_1624315915.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1624315915.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 T0325 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS3 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1490668204.pdb -s /var/tmp/to_scwrl_1490668204.seq -o /var/tmp/from_scwrl_1490668204.pdb > /var/tmp/scwrl_1490668204.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1490668204.pdb # conformation set from SCWRL output # naming current conformation karypis.srv_TS3-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS4 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1480550638.pdb -s /var/tmp/to_scwrl_1480550638.seq -o /var/tmp/from_scwrl_1480550638.pdb > /var/tmp/scwrl_1480550638.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1480550638.pdb # conformation set from SCWRL output # naming current conformation karypis.srv_TS4-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS5 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1990132493.pdb -s /var/tmp/to_scwrl_1990132493.seq -o /var/tmp/from_scwrl_1990132493.pdb > /var/tmp/scwrl_1990132493.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1990132493.pdb # conformation set from SCWRL output # naming current conformation karypis.srv_TS5-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS1.pdb.gz looking for model 1 # Found a chain break before 259 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS1 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_910618346.pdb -s /var/tmp/to_scwrl_910618346.seq -o /var/tmp/from_scwrl_910618346.pdb > /var/tmp/scwrl_910618346.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_910618346.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 240 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS2 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_911475619.pdb -s /var/tmp/to_scwrl_911475619.seq -o /var/tmp/from_scwrl_911475619.pdb > /var/tmp/scwrl_911475619.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_911475619.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 232 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS3 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1908906240.pdb -s /var/tmp/to_scwrl_1908906240.seq -o /var/tmp/from_scwrl_1908906240.pdb > /var/tmp/scwrl_1908906240.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1908906240.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 232 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS4 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1097121058.pdb -s /var/tmp/to_scwrl_1097121058.seq -o /var/tmp/from_scwrl_1097121058.pdb > /var/tmp/scwrl_1097121058.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1097121058.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 260 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS5 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1867988332.pdb -s /var/tmp/to_scwrl_1867988332.seq -o /var/tmp/from_scwrl_1867988332.pdb > /var/tmp/scwrl_1867988332.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1867988332.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: atom 903 has residue number 1 < previous residue 262 in servers/mGen-3D_TS1.pdb.gz # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation mGen-3D_TS1 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1162496255.pdb -s /var/tmp/to_scwrl_1162496255.seq -o /var/tmp/from_scwrl_1162496255.pdb > /var/tmp/scwrl_1162496255.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1162496255.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 T0325 can't currently be optimized by undertaker # naming current conformation nFOLD_TS1 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1948778535.pdb -s /var/tmp/to_scwrl_1948778535.seq -o /var/tmp/from_scwrl_1948778535.pdb > /var/tmp/scwrl_1948778535.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1948778535.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 T0325 can't currently be optimized by undertaker # naming current conformation nFOLD_TS2 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1524174496.pdb -s /var/tmp/to_scwrl_1524174496.seq -o /var/tmp/from_scwrl_1524174496.pdb > /var/tmp/scwrl_1524174496.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1524174496.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: atom 1 has residue number 32 < previous residue 262 in servers/nFOLD_TS3.pdb.gz # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation nFOLD_TS3 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_848157455.pdb -s /var/tmp/to_scwrl_848157455.seq -o /var/tmp/from_scwrl_848157455.pdb > /var/tmp/scwrl_848157455.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_848157455.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 T0325 can't currently be optimized by undertaker # naming current conformation nFOLD_TS4 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_703599263.pdb -s /var/tmp/to_scwrl_703599263.seq -o /var/tmp/from_scwrl_703599263.pdb > /var/tmp/scwrl_703599263.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_703599263.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 T0325 can't currently be optimized by undertaker # naming current conformation nFOLD_TS5 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1067079950.pdb -s /var/tmp/to_scwrl_1067079950.seq -o /var/tmp/from_scwrl_1067079950.pdb > /var/tmp/scwrl_1067079950.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1067079950.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 T0325 can't currently be optimized by undertaker # naming current conformation panther2_TS1 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1575567557.pdb -s /var/tmp/to_scwrl_1575567557.seq -o /var/tmp/from_scwrl_1575567557.pdb > /var/tmp/scwrl_1575567557.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1575567557.pdb # conformation set from SCWRL output # naming current conformation panther2_TS1-scwrl # ReadConformPDB reading from PDB file servers/shub_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation shub_TS1 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1078296213.pdb -s /var/tmp/to_scwrl_1078296213.seq -o /var/tmp/from_scwrl_1078296213.pdb > /var/tmp/scwrl_1078296213.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1078296213.pdb # conformation set from SCWRL output # naming current conformation shub_TS1-scwrl # command:CPU_time= 89.7474 sec, elapsed time= 894.299 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 = 220.955 shub_TS1 costs 0 real_cost = 222.915 panther2_TS1-scwrl costs 0 real_cost = 523.734 panther2_TS1 costs 0 real_cost = 518.287 nFOLD_TS5-scwrl costs 0 real_cost = 286.6 nFOLD_TS5 costs 0 real_cost = 379.796 nFOLD_TS4-scwrl costs 0 real_cost = 324.301 nFOLD_TS4 costs 0 real_cost = 436.364 nFOLD_TS3-scwrl costs 0 real_cost = 302.798 nFOLD_TS3 costs 0 real_cost = 411.112 nFOLD_TS2-scwrl costs 0 real_cost = 328.712 nFOLD_TS2 costs 0 real_cost = 434.674 nFOLD_TS1-scwrl costs 0 real_cost = 269.063 nFOLD_TS1 costs 0 real_cost = 411.274 mGen-3D_TS1-scwrl costs 0 real_cost = 286.234 mGen-3D_TS1 costs 0 real_cost = 357.417 keasar-server_TS5-scwrl costs 0 real_cost = 160.213 keasar-server_TS5 costs 0 real_cost = 167.683 keasar-server_TS4-scwrl costs 0 real_cost = 201.232 keasar-server_TS4 costs 0 real_cost = 209.969 keasar-server_TS3-scwrl costs 0 real_cost = 186.972 keasar-server_TS3 costs 0 real_cost = 195.646 keasar-server_TS2-scwrl costs 0 real_cost = 195.938 keasar-server_TS2 costs 0 real_cost = 202.933 keasar-server_TS1-scwrl costs 0 real_cost = 198.2 keasar-server_TS1 costs 0 real_cost = 208.085 karypis.srv_TS5-scwrl costs 0 real_cost = 227.268 karypis.srv_TS5 costs 0 real_cost = 225.176 karypis.srv_TS4-scwrl costs 0 real_cost = 301.697 karypis.srv_TS4 costs 0 real_cost = 299.232 karypis.srv_TS3-scwrl costs 0 real_cost = 221.735 karypis.srv_TS3 costs 0 real_cost = 218.428 karypis.srv_TS2-scwrl costs 0 real_cost = 200.532 karypis.srv_TS2 costs 0 real_cost = 199.311 karypis.srv_TS1-scwrl costs 0 real_cost = 297.921 karypis.srv_TS1 costs 0 real_cost = 294.029 karypis.srv.4_TS5-scwrl costs 0 real_cost = 338.646 karypis.srv.4_TS5 costs 0 real_cost = 340.337 karypis.srv.4_TS4-scwrl costs 0 real_cost = 295.919 karypis.srv.4_TS4 costs 0 real_cost = 296.292 karypis.srv.4_TS3-scwrl costs 0 real_cost = 332.872 karypis.srv.4_TS3 costs 0 real_cost = 332.882 karypis.srv.4_TS2-scwrl costs 0 real_cost = 335.411 karypis.srv.4_TS2 costs 0 real_cost = 335.662 karypis.srv.4_TS1-scwrl costs 0 real_cost = 327.83 karypis.srv.4_TS1 costs 0 real_cost = 327.835 karypis.srv.2_TS5-scwrl costs 0 real_cost = 294.436 karypis.srv.2_TS5 costs 0 real_cost = 294.696 karypis.srv.2_TS4-scwrl costs 0 real_cost = 218.129 karypis.srv.2_TS4 costs 0 real_cost = 218.129 karypis.srv.2_TS3-scwrl costs 0 real_cost = 289.088 karypis.srv.2_TS3 costs 0 real_cost = 289.088 karypis.srv.2_TS2-scwrl costs 0 real_cost = 215.35 karypis.srv.2_TS2 costs 0 real_cost = 215.35 karypis.srv.2_TS1-scwrl costs 0 real_cost = 229.423 karypis.srv.2_TS1 costs 0 real_cost = 229.27 forecast-s_AL5-scwrl costs 0 real_cost = 663.653 forecast-s_AL5 costs 0 real_cost = 718.487 forecast-s_AL4-scwrl costs 0 real_cost = 622.177 forecast-s_AL4 costs 0 real_cost = 699.467 forecast-s_AL3-scwrl costs 0 real_cost = 488.787 forecast-s_AL3 costs 0 real_cost = 589.115 forecast-s_AL2-scwrl costs 0 real_cost = 639.211 forecast-s_AL2 costs 0 real_cost = 714.776 forecast-s_AL1-scwrl costs 0 real_cost = 354.436 forecast-s_AL1 costs 0 real_cost = 524.444 beautshotbase_TS1-scwrl costs 0 real_cost = 128.712 beautshotbase_TS1 costs 0 real_cost = 133.129 beautshot_TS1-scwrl costs 0 real_cost = 181.908 beautshot_TS1 costs 0 real_cost = 188.646 Zhang-Server_TS5-scwrl costs 0 real_cost = 49.4111 Zhang-Server_TS4-scwrl costs 0 real_cost = 35.8443 Zhang-Server_TS4 costs 0 real_cost = 36.3685 Zhang-Server_TS3-scwrl costs 0 real_cost = 41.2709 Zhang-Server_TS3 costs 0 real_cost = 47.5388 Zhang-Server_TS2-scwrl costs 0 real_cost = 68.1968 Zhang-Server_TS2 costs 0 real_cost = 77.0763 Zhang-Server_TS1-scwrl costs 0 real_cost = 58.4849 Zhang-Server_TS1 costs 0 real_cost = 59.6287 UNI-EID_sfst_AL5-scwrl costs 0 real_cost = 518.15 UNI-EID_sfst_AL5 costs 0 real_cost = 563.392 UNI-EID_sfst_AL4-scwrl costs 0 real_cost = 479.685 UNI-EID_sfst_AL4 costs 0 real_cost = 533.981 UNI-EID_sfst_AL3-scwrl costs 0 real_cost = 269.759 UNI-EID_sfst_AL3 costs 0 real_cost = 352.354 UNI-EID_sfst_AL2-scwrl costs 0 real_cost = 443.768 UNI-EID_sfst_AL2 costs 0 real_cost = 485.871 UNI-EID_sfst_AL1-scwrl costs 0 real_cost = 302.212 UNI-EID_sfst_AL1 costs 0 real_cost = 404.383 UNI-EID_expm_TS1-scwrl costs 0 real_cost = 287.757 UNI-EID_bnmx_TS5-scwrl costs 0 real_cost = 256.422 UNI-EID_bnmx_TS5 costs 0 real_cost = 341.963 UNI-EID_bnmx_TS4-scwrl costs 0 real_cost = 308.434 UNI-EID_bnmx_TS4 costs 0 real_cost = 398.985 UNI-EID_bnmx_TS3-scwrl costs 0 real_cost = 278.015 UNI-EID_bnmx_TS3 costs 0 real_cost = 382.854 UNI-EID_bnmx_TS2-scwrl costs 0 real_cost = 332.611 UNI-EID_bnmx_TS2 costs 0 real_cost = 422.272 UNI-EID_bnmx_TS1-scwrl costs 0 real_cost = 231.119 UNI-EID_bnmx_TS1 costs 0 real_cost = 367.676 SPARKS2_TS5-scwrl costs 0 real_cost = 275.99 SPARKS2_TS5 costs 0 real_cost = 280.597 SPARKS2_TS4-scwrl costs 0 real_cost = 240.454 SPARKS2_TS4 costs 0 real_cost = 234.947 SPARKS2_TS3-scwrl costs 0 real_cost = 157.489 SPARKS2_TS3 costs 0 real_cost = 165.279 SPARKS2_TS2-scwrl costs 0 real_cost = 138.45 SPARKS2_TS2 costs 0 real_cost = 139.884 SPARKS2_TS1-scwrl costs 0 real_cost = 86.2045 SPARKS2_TS1 costs 0 real_cost = 88.88 SP4_TS5-scwrl costs 0 real_cost = 271.492 SP4_TS5 costs 0 real_cost = 271.43 SP4_TS4-scwrl costs 0 real_cost = 190.566 SP4_TS4 costs 0 real_cost = 193.601 SP4_TS3-scwrl costs 0 real_cost = 155.959 SP4_TS3 costs 0 real_cost = 162.796 SP4_TS2-scwrl costs 0 real_cost = 178.25 SP4_TS2 costs 0 real_cost = 178.553 SP4_TS1-scwrl costs 0 real_cost = 84.9073 SP4_TS1 costs 0 real_cost = 93.579 SP3_TS5-scwrl costs 0 real_cost = 201.749 SP3_TS5 costs 0 real_cost = 204.612 SP3_TS4-scwrl costs 0 real_cost = 181.03 SP3_TS4 costs 0 real_cost = 188.635 SP3_TS3-scwrl costs 0 real_cost = 212.795 SP3_TS3 costs 0 real_cost = 214.485 SP3_TS2-scwrl costs 0 real_cost = 159.439 SP3_TS2 costs 0 real_cost = 163.625 SP3_TS1-scwrl costs 0 real_cost = 79.5633 SP3_TS1 costs 0 real_cost = 92.106 SAM_T06_server_TS5-scwrl costs 0 real_cost = 304.665 SAM_T06_server_TS5 costs 0 real_cost = 258.19 SAM_T06_server_TS4-scwrl costs 0 real_cost = 328.857 SAM_T06_server_TS4 costs 0 real_cost = 283.951 SAM_T06_server_TS3-scwrl costs 0 real_cost = 364.738 SAM_T06_server_TS3 costs 0 real_cost = 325.768 SAM_T06_server_TS2-scwrl costs 0 real_cost = 204.019 SAM_T06_server_TS2 costs 0 real_cost = 167.456 SAM_T06_server_TS1-scwrl costs 0 real_cost = 149.99 SAM_T06_server_TS1 costs 0 real_cost = 148.348 SAM-T02_AL5-scwrl costs 0 real_cost = 257.048 SAM-T02_AL5 costs 0 real_cost = 365.339 SAM-T02_AL4-scwrl costs 0 real_cost = 584.073 SAM-T02_AL4 costs 0 real_cost = 619.203 SAM-T02_AL3-scwrl costs 0 real_cost = 516.905 SAM-T02_AL3 costs 0 real_cost = 583.058 SAM-T02_AL2-scwrl costs 0 real_cost = 530.638 SAM-T02_AL2 costs 0 real_cost = 596.638 SAM-T02_AL1-scwrl costs 0 real_cost = 579.863 SAM-T02_AL1 costs 0 real_cost = 616.187 ROKKY_TS5-scwrl costs 0 real_cost = 268.682 ROKKY_TS5 costs 0 real_cost = 430.991 ROKKY_TS4-scwrl costs 0 real_cost = 269.517 ROKKY_TS4 costs 0 real_cost = 431.064 ROKKY_TS3-scwrl costs 0 real_cost = 236.545 ROKKY_TS3 costs 0 real_cost = 395.615 ROKKY_TS2-scwrl costs 0 real_cost = 246.75 ROKKY_TS2 costs 0 real_cost = 412.037 ROKKY_TS1-scwrl costs 0 real_cost = 261.601 ROKKY_TS1 costs 0 real_cost = 423.17 ROBETTA_TS5-scwrl costs 0 real_cost = 122.005 ROBETTA_TS5 costs 0 real_cost = 123.341 ROBETTA_TS4-scwrl costs 0 real_cost = 131.863 ROBETTA_TS4 costs 0 real_cost = 139.206 ROBETTA_TS3-scwrl costs 0 real_cost = 108.976 ROBETTA_TS3 costs 0 real_cost = 111.162 ROBETTA_TS2-scwrl costs 0 real_cost = 134.901 ROBETTA_TS2 costs 0 real_cost = 142.65 ROBETTA_TS1-scwrl costs 0 real_cost = 133.736 ROBETTA_TS1 costs 0 real_cost = 137.957 RAPTOR_TS5-scwrl costs 0 real_cost = 146.141 RAPTOR_TS5 costs 0 real_cost = 149.634 RAPTOR_TS4-scwrl costs 0 real_cost = 111.06 RAPTOR_TS4 costs 0 real_cost = 115.794 RAPTOR_TS3-scwrl costs 0 real_cost = 307.519 RAPTOR_TS3 costs 0 real_cost = 298.814 RAPTOR_TS2-scwrl costs 0 real_cost = 174.635 RAPTOR_TS2 costs 0 real_cost = 174.231 RAPTOR_TS1-scwrl costs 0 real_cost = 175.787 RAPTOR_TS1 costs 0 real_cost = 182.663 RAPTORESS_TS5-scwrl costs 0 real_cost = 70.9424 RAPTORESS_TS5 costs 0 real_cost = 87.9006 RAPTORESS_TS4-scwrl costs 0 real_cost = 161.107 RAPTORESS_TS4 costs 0 real_cost = 172.684 RAPTORESS_TS3-scwrl costs 0 real_cost = 118.981 RAPTORESS_TS3 costs 0 real_cost = 125.263 RAPTORESS_TS2-scwrl costs 0 real_cost = 221.852 RAPTORESS_TS2 costs 0 real_cost = 229.617 RAPTORESS_TS1-scwrl costs 0 real_cost = 186.151 RAPTORESS_TS1 costs 0 real_cost = 196.758 RAPTOR-ACE_TS5-scwrl costs 0 real_cost = 113.219 RAPTOR-ACE_TS5 costs 0 real_cost = 119.569 RAPTOR-ACE_TS4-scwrl costs 0 real_cost = 283.789 RAPTOR-ACE_TS4 costs 0 real_cost = 276.043 RAPTOR-ACE_TS3-scwrl costs 0 real_cost = 166.858 RAPTOR-ACE_TS3 costs 0 real_cost = 173.176 RAPTOR-ACE_TS2-scwrl costs 0 real_cost = 159.439 RAPTOR-ACE_TS2 costs 0 real_cost = 163.625 RAPTOR-ACE_TS1-scwrl costs 0 real_cost = 79.5633 RAPTOR-ACE_TS1 costs 0 real_cost = 92.106 Pmodeller6_TS5-scwrl costs 0 real_cost = 133.736 Pmodeller6_TS5 costs 0 real_cost = 137.957 Pmodeller6_TS4-scwrl costs 0 real_cost = 131.863 Pmodeller6_TS4 costs 0 real_cost = 139.206 Pmodeller6_TS3-scwrl costs 0 real_cost = 108.976 Pmodeller6_TS3 costs 0 real_cost = 111.162 Pmodeller6_TS2-scwrl costs 0 real_cost = 106.62 Pmodeller6_TS2 costs 0 real_cost = 104.385 Pmodeller6_TS1-scwrl costs 0 real_cost = 78.5422 Pmodeller6_TS1 costs 0 real_cost = 75.1376 Phyre-2_TS5-scwrl costs 0 real_cost = 193.216 Phyre-2_TS5 costs 0 real_cost = 193.514 Phyre-2_TS4-scwrl costs 0 real_cost = 212.068 Phyre-2_TS4 costs 0 real_cost = 204.461 Phyre-2_TS3-scwrl costs 0 real_cost = 224.897 Phyre-2_TS3 costs 0 real_cost = 211.707 Phyre-2_TS2-scwrl costs 0 real_cost = 175.727 Phyre-2_TS2 costs 0 real_cost = 163.959 Phyre-2_TS1-scwrl costs 0 real_cost = 161.412 Phyre-2_TS1 costs 0 real_cost = 155.192 Phyre-1_TS1-scwrl costs 0 real_cost = 204.681 Phyre-1_TS1 costs 0 real_cost = 187.477 Pcons6_TS5-scwrl costs 0 real_cost = 140.194 Pcons6_TS5 costs 0 real_cost = 138.711 Pcons6_TS4-scwrl costs 0 real_cost = 126.919 Pcons6_TS4 costs 0 real_cost = 124.174 Pcons6_TS3-scwrl costs 0 real_cost = 132.376 Pcons6_TS3 costs 0 real_cost = 130.563 Pcons6_TS2-scwrl costs 0 real_cost = 149.023 Pcons6_TS2 costs 0 real_cost = 146.877 Pcons6_TS1-scwrl costs 0 real_cost = 145.789 Pcons6_TS1 costs 0 real_cost = 143.518 PROTINFO_TS5-scwrl costs 0 real_cost = 138.496 PROTINFO_TS5 costs 0 real_cost = 141.464 PROTINFO_TS4-scwrl costs 0 real_cost = 219.745 PROTINFO_TS4 costs 0 real_cost = 220.434 PROTINFO_TS3-scwrl costs 0 real_cost = 138.133 PROTINFO_TS3 costs 0 real_cost = 140.165 PROTINFO_TS2-scwrl costs 0 real_cost = 114.475 PROTINFO_TS2 costs 0 real_cost = 119.96 PROTINFO_TS1-scwrl costs 0 real_cost = 166.557 PROTINFO_TS1 costs 0 real_cost = 169.37 PROTINFO-AB_TS5-scwrl costs 0 real_cost = 146.174 PROTINFO-AB_TS5 costs 0 real_cost = 153.418 PROTINFO-AB_TS4-scwrl costs 0 real_cost = 137.067 PROTINFO-AB_TS4 costs 0 real_cost = 141.407 PROTINFO-AB_TS3-scwrl costs 0 real_cost = 176.996 PROTINFO-AB_TS3 costs 0 real_cost = 183.656 PROTINFO-AB_TS2-scwrl costs 0 real_cost = 156.012 PROTINFO-AB_TS2 costs 0 real_cost = 162.151 PROTINFO-AB_TS1-scwrl costs 0 real_cost = 149.081 PROTINFO-AB_TS1 costs 0 real_cost = 145.944 POMYSL_TS5-scwrl costs 0 real_cost = 351.534 POMYSL_TS5 costs 0 real_cost = 352.995 POMYSL_TS4-scwrl costs 0 real_cost = 344.157 POMYSL_TS4 costs 0 real_cost = 347.026 POMYSL_TS3-scwrl costs 0 real_cost = 340.648 POMYSL_TS3 costs 0 real_cost = 341.8 POMYSL_TS2-scwrl costs 0 real_cost = 330.958 POMYSL_TS2 costs 0 real_cost = 337.918 POMYSL_TS1-scwrl costs 0 real_cost = 349.881 POMYSL_TS1 costs 0 real_cost = 355.285 NN_PUT_lab_TS1-scwrl costs 0 real_cost = 248.461 NN_PUT_lab_TS1 costs 0 real_cost = 250.798 MetaTasser_TS5-scwrl costs 0 real_cost = 116.986 MetaTasser_TS5 costs 0 real_cost = 115.369 MetaTasser_TS4-scwrl costs 0 real_cost = 102.727 MetaTasser_TS4 costs 0 real_cost = 111.615 MetaTasser_TS3-scwrl costs 0 real_cost = 125.997 MetaTasser_TS3 costs 0 real_cost = 125.029 MetaTasser_TS2-scwrl costs 0 real_cost = 113.706 MetaTasser_TS2 costs 0 real_cost = 115.646 MetaTasser_TS1-scwrl costs 0 real_cost = 104.164 MetaTasser_TS1 costs 0 real_cost = 98.6344 Ma-OPUS-server_TS5-scwrl costs 0 real_cost = 251.854 Ma-OPUS-server_TS5 costs 0 real_cost = 252.164 Ma-OPUS-server_TS4-scwrl costs 0 real_cost = 241.708 Ma-OPUS-server_TS4 costs 0 real_cost = 243.871 Ma-OPUS-server_TS3-scwrl costs 0 real_cost = 246.058 Ma-OPUS-server_TS3 costs 0 real_cost = 249.181 Ma-OPUS-server_TS2-scwrl costs 0 real_cost = 247.835 Ma-OPUS-server_TS2 costs 0 real_cost = 251.26 Ma-OPUS-server_TS1-scwrl costs 0 real_cost = 297.379 Ma-OPUS-server_TS1 costs 0 real_cost = 301.453 Ma-OPUS-server2_TS5-scwrl costs 0 real_cost = 305.258 Ma-OPUS-server2_TS5 costs 0 real_cost = 311.676 Ma-OPUS-server2_TS4-scwrl costs 0 real_cost = 266.712 Ma-OPUS-server2_TS4 costs 0 real_cost = 271.479 Ma-OPUS-server2_TS3-scwrl costs 0 real_cost = 247.835 Ma-OPUS-server2_TS3 costs 0 real_cost = 251.26 Ma-OPUS-server2_TS2-scwrl costs 0 real_cost = 299.757 Ma-OPUS-server2_TS2 costs 0 real_cost = 302.386 Ma-OPUS-server2_TS1-scwrl costs 0 real_cost = 252.946 Ma-OPUS-server2_TS1 costs 0 real_cost = 258.618 LOOPP_TS5-scwrl costs 0 real_cost = 285.148 LOOPP_TS5 costs 0 real_cost = 290.645 LOOPP_TS4-scwrl costs 0 real_cost = 141.314 LOOPP_TS4 costs 0 real_cost = 138.081 LOOPP_TS3-scwrl costs 0 real_cost = 259.393 LOOPP_TS3 costs 0 real_cost = 266.221 LOOPP_TS2-scwrl costs 0 real_cost = 266.296 LOOPP_TS2 costs 0 real_cost = 272.088 LOOPP_TS1-scwrl costs 0 real_cost = 248.461 LOOPP_TS1 costs 0 real_cost = 250.798 Huber-Torda-Server_TS5-scwrl costs 0 real_cost = 434.798 Huber-Torda-Server_TS5 costs 0 real_cost = 516.074 Huber-Torda-Server_TS4-scwrl costs 0 real_cost = 531.347 Huber-Torda-Server_TS4 costs 0 real_cost = 569.62 Huber-Torda-Server_TS3-scwrl costs 0 real_cost = 356.65 Huber-Torda-Server_TS3 costs 0 real_cost = 397.803 Huber-Torda-Server_TS2-scwrl costs 0 real_cost = 526.881 Huber-Torda-Server_TS2 costs 0 real_cost = 564.971 Huber-Torda-Server_TS1-scwrl costs 0 real_cost = 488.312 Huber-Torda-Server_TS1 costs 0 real_cost = 538.932 HHpred3_TS1-scwrl costs 0 real_cost = 128.709 HHpred3_TS1 costs 0 real_cost = 129.694 HHpred2_TS1-scwrl costs 0 real_cost = 119.808 HHpred2_TS1 costs 0 real_cost = 122.073 HHpred1_TS1-scwrl costs 0 real_cost = 146.397 HHpred1_TS1 costs 0 real_cost = 148.413 GeneSilicoMetaServer_TS5-scwrl costs 0 real_cost = 130.464 GeneSilicoMetaServer_TS5 costs 0 real_cost = 133.814 GeneSilicoMetaServer_TS4-scwrl costs 0 real_cost = 139.72 GeneSilicoMetaServer_TS4 costs 0 real_cost = 145.993 GeneSilicoMetaServer_TS3-scwrl costs 0 real_cost = 137.378 GeneSilicoMetaServer_TS3 costs 0 real_cost = 146.61 GeneSilicoMetaServer_TS2-scwrl costs 0 real_cost = 178.879 GeneSilicoMetaServer_TS2 costs 0 real_cost = 182.789 GeneSilicoMetaServer_TS1-scwrl costs 0 real_cost = 148.442 GeneSilicoMetaServer_TS1 costs 0 real_cost = 156.101 FUNCTION_TS5-scwrl costs 0 real_cost = 270.105 FUNCTION_TS5 costs 0 real_cost = 278.675 FUNCTION_TS4-scwrl costs 0 real_cost = 274.241 FUNCTION_TS4 costs 0 real_cost = 279.472 FUNCTION_TS3-scwrl costs 0 real_cost = 279.276 FUNCTION_TS3 costs 0 real_cost = 284.985 FUNCTION_TS2-scwrl costs 0 real_cost = 147.653 FUNCTION_TS2 costs 0 real_cost = 151.56 FUNCTION_TS1-scwrl costs 0 real_cost = 131.332 FUNCTION_TS1 costs 0 real_cost = 132.599 FUGUE_AL5-scwrl costs 0 real_cost = 542.841 FUGUE_AL5 costs 0 real_cost = 590.567 FUGUE_AL4-scwrl costs 0 real_cost = 423.041 FUGUE_AL4 costs 0 real_cost = 541.091 FUGUE_AL3-scwrl costs 0 real_cost = 445.313 FUGUE_AL3 costs 0 real_cost = 566.444 FUGUE_AL1-scwrl costs 0 real_cost = 348.223 FUGUE_AL1 costs 0 real_cost = 496.738 FUGMOD_TS5-scwrl costs 0 real_cost = 543.963 FUGMOD_TS5 costs 0 real_cost = 544.599 FUGMOD_TS4-scwrl costs 0 real_cost = 301.205 FUGMOD_TS4 costs 0 real_cost = 304.148 FUGMOD_TS3-scwrl costs 0 real_cost = 312.222 FUGMOD_TS3 costs 0 real_cost = 313.702 FUGMOD_TS2-scwrl costs 0 real_cost = 268.981 FUGMOD_TS2 costs 0 real_cost = 270.161 FUGMOD_TS1-scwrl costs 0 real_cost = 275.332 FUGMOD_TS1 costs 0 real_cost = 272.29 FPSOLVER-SERVER_TS5-scwrl costs 0 real_cost = 273.659 FPSOLVER-SERVER_TS5 costs 0 real_cost = 281.006 FPSOLVER-SERVER_TS4-scwrl costs 0 real_cost = 296.759 FPSOLVER-SERVER_TS4 costs 0 real_cost = 293.68 FPSOLVER-SERVER_TS3-scwrl costs 0 real_cost = 320.884 FPSOLVER-SERVER_TS3 costs 0 real_cost = 324.352 FPSOLVER-SERVER_TS2-scwrl costs 0 real_cost = 293.726 FPSOLVER-SERVER_TS2 costs 0 real_cost = 294.715 FPSOLVER-SERVER_TS1-scwrl costs 0 real_cost = 327.583 FPSOLVER-SERVER_TS1 costs 0 real_cost = 327.192 FORTE2_AL5-scwrl costs 0 real_cost = 369.771 FORTE2_AL5 costs 0 real_cost = 515.328 FORTE2_AL4-scwrl costs 0 real_cost = 402.526 FORTE2_AL4 costs 0 real_cost = 521.259 FORTE2_AL3-scwrl costs 0 real_cost = 365.363 FORTE2_AL3 costs 0 real_cost = 544.599 FORTE2_AL2-scwrl costs 0 real_cost = 318.204 FORTE2_AL2 costs 0 real_cost = 399.558 FORTE2_AL1-scwrl costs 0 real_cost = 282.203 FORTE2_AL1 costs 0 real_cost = 381.211 FORTE1_AL5-scwrl costs 0 real_cost = 409.541 FORTE1_AL5 costs 0 real_cost = 566.62 FORTE1_AL4-scwrl costs 0 real_cost = 401.866 FORTE1_AL4 costs 0 real_cost = 520.899 FORTE1_AL3-scwrl costs 0 real_cost = 365.363 FORTE1_AL3 costs 0 real_cost = 544.599 FORTE1_AL2-scwrl costs 0 real_cost = 318.204 FORTE1_AL2 costs 0 real_cost = 399.558 FORTE1_AL1-scwrl costs 0 real_cost = 282.203 FORTE1_AL1 costs 0 real_cost = 381.211 FOLDpro_TS5-scwrl costs 0 real_cost = 319.272 FOLDpro_TS5 costs 0 real_cost = 320.292 FOLDpro_TS4-scwrl costs 0 real_cost = 301.058 FOLDpro_TS4 costs 0 real_cost = 303.381 FOLDpro_TS3-scwrl costs 0 real_cost = 277.734 FOLDpro_TS3 costs 0 real_cost = 285.815 FOLDpro_TS2-scwrl costs 0 real_cost = 319.048 FOLDpro_TS2 costs 0 real_cost = 318.2 FOLDpro_TS1-scwrl costs 0 real_cost = 180.897 FOLDpro_TS1 costs 0 real_cost = 180.446 FAMS_TS5-scwrl costs 0 real_cost = 90.8962 FAMS_TS5 costs 0 real_cost = 94.3983 FAMS_TS4-scwrl costs 0 real_cost = 108.853 FAMS_TS4 costs 0 real_cost = 107.119 FAMS_TS3-scwrl costs 0 real_cost = 115.76 FAMS_TS3 costs 0 real_cost = 115.569 FAMS_TS2-scwrl costs 0 real_cost = 124.224 FAMS_TS2 costs 0 real_cost = 119.934 FAMS_TS1-scwrl costs 0 real_cost = 99.6801 FAMS_TS1 costs 0 real_cost = 105.905 FAMSD_TS5-scwrl costs 0 real_cost = 146.709 FAMSD_TS5 costs 0 real_cost = 152.56 FAMSD_TS4-scwrl costs 0 real_cost = 135.617 FAMSD_TS4 costs 0 real_cost = 141.535 FAMSD_TS3-scwrl costs 0 real_cost = 187.174 FAMSD_TS3 costs 0 real_cost = 190.739 FAMSD_TS2-scwrl costs 0 real_cost = 116.973 FAMSD_TS2 costs 0 real_cost = 113.053 FAMSD_TS1-scwrl costs 0 real_cost = 113.692 FAMSD_TS1 costs 0 real_cost = 113.794 Distill_TS5-scwrl costs 0 real_cost = 588.623 Distill_TS4-scwrl costs 0 real_cost = 592.095 Distill_TS3-scwrl costs 0 real_cost = 600.491 Distill_TS2-scwrl costs 0 real_cost = 585.748 Distill_TS1-scwrl costs 0 real_cost = 566.198 CaspIta-FOX_TS5-scwrl costs 0 real_cost = 400.431 CaspIta-FOX_TS5 costs 0 real_cost = 393.837 CaspIta-FOX_TS4-scwrl costs 0 real_cost = 373.494 CaspIta-FOX_TS4 costs 0 real_cost = 367.851 CaspIta-FOX_TS3-scwrl costs 0 real_cost = 333.861 CaspIta-FOX_TS3 costs 0 real_cost = 321.738 CaspIta-FOX_TS2-scwrl costs 0 real_cost = 337.599 CaspIta-FOX_TS2 costs 0 real_cost = 335.387 CaspIta-FOX_TS1-scwrl costs 0 real_cost = 453.405 CaspIta-FOX_TS1 costs 0 real_cost = 441.654 CIRCLE_TS5-scwrl costs 0 real_cost = 115.76 CIRCLE_TS5 costs 0 real_cost = 115.569 CIRCLE_TS4-scwrl costs 0 real_cost = 90.8962 CIRCLE_TS4 costs 0 real_cost = 94.3983 CIRCLE_TS3-scwrl costs 0 real_cost = 124.224 CIRCLE_TS3 costs 0 real_cost = 119.934 CIRCLE_TS2-scwrl costs 0 real_cost = 108.853 CIRCLE_TS2 costs 0 real_cost = 107.119 CIRCLE_TS1-scwrl costs 0 real_cost = 100.718 CIRCLE_TS1 costs 0 real_cost = 116.767 Bilab-ENABLE_TS5-scwrl costs 0 real_cost = 269.779 Bilab-ENABLE_TS5 costs 0 real_cost = 269.794 Bilab-ENABLE_TS4-scwrl costs 0 real_cost = 301.536 Bilab-ENABLE_TS4 costs 0 real_cost = 301.536 Bilab-ENABLE_TS3-scwrl costs 0 real_cost = 317.519 Bilab-ENABLE_TS3 costs 0 real_cost = 317.311 Bilab-ENABLE_TS2-scwrl costs 0 real_cost = 308.963 Bilab-ENABLE_TS2 costs 0 real_cost = 309.31 Bilab-ENABLE_TS1-scwrl costs 0 real_cost = 287.796 Bilab-ENABLE_TS1 costs 0 real_cost = 289.805 BayesHH_TS1-scwrl costs 0 real_cost = 94.5632 BayesHH_TS1 costs 0 real_cost = 97.1738 ABIpro_TS5-scwrl costs 0 real_cost = 247.855 ABIpro_TS5 costs 0 real_cost = 247.875 ABIpro_TS4-scwrl costs 0 real_cost = 264.968 ABIpro_TS4 costs 0 real_cost = 265.154 ABIpro_TS3-scwrl costs 0 real_cost = 277.007 ABIpro_TS3 costs 0 real_cost = 277.003 ABIpro_TS2-scwrl costs 0 real_cost = 272.848 ABIpro_TS2 costs 0 real_cost = 272.848 ABIpro_TS1-scwrl costs 0 real_cost = 261.135 ABIpro_TS1 costs 0 real_cost = 260.84 3Dpro_TS5-scwrl costs 0 real_cost = 269.107 3Dpro_TS5 costs 0 real_cost = 265.481 3Dpro_TS4-scwrl costs 0 real_cost = 269.548 3Dpro_TS4 costs 0 real_cost = 270.48 3Dpro_TS3-scwrl costs 0 real_cost = 315.538 3Dpro_TS3 costs 0 real_cost = 320.298 3Dpro_TS2-scwrl costs 0 real_cost = 330.275 3Dpro_TS2 costs 0 real_cost = 330.757 3Dpro_TS1-scwrl costs 0 real_cost = 177.085 3Dpro_TS1 costs 0 real_cost = 174.884 3D-JIGSAW_TS5-scwrl costs 0 real_cost = 307.26 3D-JIGSAW_TS5 costs 0 real_cost = 306.525 3D-JIGSAW_TS4-scwrl costs 0 real_cost = 230.436 3D-JIGSAW_TS4 costs 0 real_cost = 238.706 3D-JIGSAW_TS3-scwrl costs 0 real_cost = 284.318 3D-JIGSAW_TS3 costs 0 real_cost = 285.641 3D-JIGSAW_TS2-scwrl costs 0 real_cost = 332.179 3D-JIGSAW_TS2 costs 0 real_cost = 328.384 3D-JIGSAW_TS1-scwrl costs 0 real_cost = 355.602 3D-JIGSAW_TS1 costs 0 real_cost = 347.992 3D-JIGSAW_RECOM_TS3-scwrl costs 0 real_cost = 318.283 3D-JIGSAW_RECOM_TS3 costs 0 real_cost = 310.036 3D-JIGSAW_RECOM_TS2-scwrl costs 0 real_cost = 317.396 3D-JIGSAW_RECOM_TS2 costs 0 real_cost = 306.251 3D-JIGSAW_RECOM_TS1-scwrl costs 0 real_cost = 411.632 3D-JIGSAW_RECOM_TS1 costs 0 real_cost = 401.64 3D-JIGSAW_POPULUS_TS5-scwrl costs 0 real_cost = 267.446 3D-JIGSAW_POPULUS_TS5 costs 0 real_cost = 265.457 3D-JIGSAW_POPULUS_TS4-scwrl costs 0 real_cost = 262.681 3D-JIGSAW_POPULUS_TS4 costs 0 real_cost = 261.544 3D-JIGSAW_POPULUS_TS3-scwrl costs 0 real_cost = 262.994 3D-JIGSAW_POPULUS_TS3 costs 0 real_cost = 260.59 3D-JIGSAW_POPULUS_TS2-scwrl costs 0 real_cost = 261.246 3D-JIGSAW_POPULUS_TS2 costs 0 real_cost = 260.12 3D-JIGSAW_POPULUS_TS1-scwrl costs 0 real_cost = 265.917 3D-JIGSAW_POPULUS_TS1 costs 0 real_cost = 263.821 T0325.try9-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 147.908 T0325.try9-opt2.pdb.gz costs 0 real_cost = 150.236 T0325.try9-opt2.gromacs0.pdb.gz costs 0 real_cost = 149.875 T0325.try9-opt1.pdb.gz costs 0 real_cost = 147.233 T0325.try9-opt1-scwrl.pdb.gz costs 0 real_cost = 150.391 T0325.try8-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 205.236 T0325.try8-opt2.pdb.gz costs 0 real_cost = 205.634 T0325.try8-opt2.gromacs0.pdb.gz costs 0 real_cost = 210.975 T0325.try8-opt1.pdb.gz costs 0 real_cost = 202.733 T0325.try8-opt1-scwrl.pdb.gz costs 0 real_cost = 201.295 T0325.try7-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 174.701 T0325.try7-opt2.pdb.gz costs 0 real_cost = 175.09 T0325.try7-opt2.gromacs0.pdb.gz costs 0 real_cost = 174.245 T0325.try7-opt1.pdb.gz costs 0 real_cost = 176.452 T0325.try7-opt1-scwrl.pdb.gz costs 0 real_cost = 173.128 T0325.try6-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 138.559 T0325.try6-opt2.pdb.gz costs 0 real_cost = 136.418 T0325.try6-opt2.gromacs0.pdb.gz costs 0 real_cost = 143.2 T0325.try6-opt1.pdb.gz costs 0 real_cost = 134.795 T0325.try6-opt1-scwrl.pdb.gz costs 0 real_cost = 132.784 T0325.try5-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 164.78 T0325.try5-opt2.pdb.gz costs 0 real_cost = 165.339 T0325.try5-opt2.gromacs0.pdb.gz costs 0 real_cost = 168.316 T0325.try5-opt1.pdb.gz costs 0 real_cost = 165.78 T0325.try5-opt1-scwrl.pdb.gz costs 0 real_cost = 163.649 T0325.try4-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 190.612 T0325.try4-opt2.pdb.gz costs 0 real_cost = 183.331 T0325.try4-opt2.gromacs0.pdb.gz costs 0 real_cost = 182.934 T0325.try4-opt1.pdb.gz costs 0 real_cost = 183.628 T0325.try4-opt1-scwrl.pdb.gz costs 0 real_cost = 183.118 T0325.try3-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 176.484 T0325.try3-opt2.pdb.gz costs 0 real_cost = 174.023 T0325.try3-opt2.gromacs0.pdb.gz costs 0 real_cost = 172.134 T0325.try3-opt1.pdb.gz costs 0 real_cost = 174.725 T0325.try3-opt1-scwrl.pdb.gz costs 0 real_cost = 176.56 T0325.try27-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 161.657 T0325.try27-opt2.pdb.gz costs 0 real_cost = 162.477 T0325.try27-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = 161.377 T0325.try27-opt2.gromacs0.pdb.gz costs 0 real_cost = 164.07 T0325.try27-opt1.pdb.gz costs 0 real_cost = 161.814 T0325.try27-opt1-scwrl.pdb.gz costs 0 real_cost = 160.201 T0325.try26-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 155.288 T0325.try26-opt2.pdb.gz costs 0 real_cost = 156.614 T0325.try26-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = 156.153 T0325.try26-opt2.gromacs0.pdb.gz costs 0 real_cost = 159.199 T0325.try26-opt1.pdb.gz costs 0 real_cost = 156.314 T0325.try26-opt1-scwrl.pdb.gz costs 0 real_cost = 155.332 T0325.try25-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 160.656 T0325.try25-opt2.pdb.gz costs 0 real_cost = 162.063 T0325.try25-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = 163.097 T0325.try25-opt2.gromacs0.pdb.gz costs 0 real_cost = 164.377 T0325.try25-opt1.pdb.gz costs 0 real_cost = 160.637 T0325.try25-opt1-scwrl.pdb.gz costs 0 real_cost = 158.529 T0325.try24-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 153.128 T0325.try24-opt2.pdb.gz costs 0 real_cost = 154.822 T0325.try24-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = 152.49 T0325.try24-opt2.gromacs0.pdb.gz costs 0 real_cost = 155.696 T0325.try24-opt1.pdb.gz costs 0 real_cost = 153.625 T0325.try24-opt1-scwrl.pdb.gz costs 0 real_cost = 153.382 T0325.try23-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 149.492 T0325.try23-opt2.pdb.gz costs 0 real_cost = 148.926 T0325.try23-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = 147.267 T0325.try23-opt2.gromacs0.pdb.gz costs 0 real_cost = 152.804 T0325.try23-opt1.pdb.gz costs 0 real_cost = 149.686 T0325.try22-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 143.931 T0325.try22-opt2.pdb.gz costs 0 real_cost = 146.493 T0325.try22-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = 145.591 T0325.try22-opt2.gromacs0.pdb.gz costs 0 real_cost = 147.522 T0325.try22-opt1.pdb.gz costs 0 real_cost = 150.784 T0325.try22-opt1-scwrl.pdb.gz costs 0 real_cost = 149.156 T0325.try21-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 154.244 T0325.try21-opt2.pdb.gz costs 0 real_cost = 151.485 T0325.try21-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = 152.62 T0325.try21-opt2.gromacs0.pdb.gz costs 0 real_cost = 152.952 T0325.try21-opt1.pdb.gz costs 0 real_cost = 151.899 T0325.try21-opt1-scwrl.pdb.gz costs 0 real_cost = 151.917 T0325.try20-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 194.463 T0325.try20-opt2.pdb.gz costs 0 real_cost = 192.619 T0325.try20-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = 193.46 T0325.try20-opt2.gromacs0.pdb.gz costs 0 real_cost = 193.65 T0325.try20-opt1.pdb.gz costs 0 real_cost = 194.506 T0325.try20-opt1-scwrl.pdb.gz costs 0 real_cost = 196.01 T0325.try2-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 167.197 T0325.try2-opt2.pdb.gz costs 0 real_cost = 168.6 T0325.try2-opt2.gromacs0.pdb.gz costs 0 real_cost = 167.458 T0325.try2-opt1.pdb.gz costs 0 real_cost = 169.628 T0325.try2-opt1-scwrl.pdb.gz costs 0 real_cost = 171.416 T0325.try19-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 155.917 T0325.try19-opt2.pdb.gz costs 0 real_cost = 158.219 T0325.try19-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = 153.674 T0325.try19-opt2.gromacs0.pdb.gz costs 0 real_cost = 154.934 T0325.try19-opt1.pdb.gz costs 0 real_cost = 155.809 T0325.try19-opt1-scwrl.pdb.gz costs 0 real_cost = 155.47 T0325.try18-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 158.838 T0325.try18-opt2.pdb.gz costs 0 real_cost = 159.471 T0325.try18-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = 162.288 T0325.try18-opt2.gromacs0.pdb.gz costs 0 real_cost = 162.392 T0325.try18-opt1.pdb.gz costs 0 real_cost = 162.824 T0325.try18-opt1-scwrl.pdb.gz costs 0 real_cost = 159.827 T0325.try17-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 151.844 T0325.try17-opt2.pdb.gz costs 0 real_cost = 151.529 T0325.try17-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = 150.37 T0325.try17-opt2.gromacs0.pdb.gz costs 0 real_cost = 150.814 T0325.try17-opt1.pdb.gz costs 0 real_cost = 150.054 T0325.try17-opt1-scwrl.pdb.gz costs 0 real_cost = 150.924 T0325.try16-opt2.repack-nonPC.pdb.original.gz costs 0 real_cost = 150.025 T0325.try16-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 150.025 T0325.try16-opt2.pdb.original.gz costs 0 real_cost = 150.004 T0325.try16-opt2.pdb.gz costs 0 real_cost = 150.004 T0325.try16-opt2.gromacs0.repack-nonPC.pdb.original.gz costs 0 real_cost = 151.352 T0325.try16-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = 151.352 T0325.try16-opt2.gromacs0.pdb.original.gz costs 0 real_cost = 153.071 T0325.try16-opt2.gromacs0.pdb.gz costs 0 real_cost = 153.071 T0325.try16-opt1.pdb.original.gz costs 0 real_cost = 148.518 T0325.try16-opt1.pdb.gz costs 0 real_cost = 148.518 T0325.try16-opt1-scwrl.pdb.original.gz costs 0 real_cost = 148.728 T0325.try16-opt1-scwrl.pdb.gz costs 0 real_cost = 149.046 T0325.try15-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 146.444 T0325.try15-opt2.pdb.gz costs 0 real_cost = 146.248 T0325.try15-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = 145.039 T0325.try15-opt2.gromacs0.pdb.gz costs 0 real_cost = 146.38 T0325.try15-opt1.pdb.gz costs 0 real_cost = 146.043 T0325.try15-opt1-scwrl.pdb.gz costs 0 real_cost = 144.279 T0325.try14-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 159.352 T0325.try14-opt2.pdb.gz costs 0 real_cost = 159.788 T0325.try14-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = 160.224 T0325.try14-opt2.gromacs0.pdb.gz costs 0 real_cost = 163.833 T0325.try14-opt1.pdb.gz costs 0 real_cost = 158.501 T0325.try14-opt1-scwrl.pdb.gz costs 0 real_cost = 157.188 T0325.try13-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 150.16 T0325.try13-opt2.pdb.gz costs 0 real_cost = 149.108 T0325.try13-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = 144.056 T0325.try13-opt2.gromacs0.pdb.gz costs 0 real_cost = 145.921 T0325.try13-opt1.pdb.gz costs 0 real_cost = 149.857 T0325.try13-opt1-scwrl.pdb.gz costs 0 real_cost = 150.739 T0325.try12-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 144.266 T0325.try12-opt2.pdb.gz costs 0 real_cost = 144.825 T0325.try12-opt2.gromacs0.pdb.gz costs 0 real_cost = 148.922 T0325.try12-opt1.pdb.gz costs 0 real_cost = 146.661 T0325.try12-opt1-scwrl.pdb.gz costs 0 real_cost = 147.754 T0325.try11-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 216.605 T0325.try11-opt2.pdb.gz costs 0 real_cost = 216.322 T0325.try11-opt2.gromacs0.pdb.gz costs 0 real_cost = 212.26 T0325.try11-opt1.pdb.gz costs 0 real_cost = 215.461 T0325.try11-opt1-scwrl.pdb.gz costs 0 real_cost = 216.081 T0325.try10-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 165.728 T0325.try10-opt2.pdb.gz costs 0 real_cost = 167.225 T0325.try10-opt1.pdb.gz costs 0 real_cost = 169.22 T0325.try10-opt1-scwrl.pdb.gz costs 0 real_cost = 169.22 T0325.try1-opt2.repack-nonPC.pdb.gz costs 0 real_cost = 161.81 T0325.try1-opt2.pdb.gz costs 0 real_cost = 162.172 T0325.try1-opt2.gromacs0.pdb.gz costs 0 real_cost = 160.815 T0325.try1-opt1.pdb.gz costs 0 real_cost = 160.758 T0325.try1-opt1-scwrl.pdb.gz costs 0 real_cost = 163.107 ../model5.ts-submitted costs 0 real_cost = 144.82 ../model4.ts-submitted costs 0 real_cost = 146.187 ../model3.ts-submitted costs 0 real_cost = 148.816 ../model2.ts-submitted costs 0 real_cost = 146.512 ../model1.ts-submitted costs 0 real_cost = 152.505 align5 costs 0 real_cost = 275.519 align4 costs 0 real_cost = 340.193 align3 costs 0 real_cost = 279.3 align2 costs 0 real_cost = 284.501 align1 costs 0 real_cost = 202.694 T0325.try1-opt2.pdb costs 0 real_cost = 162.172 model5-scwrl costs 0 real_cost = 143.212 model5.ts-submitted costs 0 real_cost = 144.82 model4-scwrl costs 0 real_cost = 144.358 model4.ts-submitted costs 0 real_cost = 146.187 model3-scwrl costs 0 real_cost = 146.557 model3.ts-submitted costs 0 real_cost = 148.816 model2-scwrl costs 0 real_cost = 146.056 model2.ts-submitted costs 0 real_cost = 146.512 model1-scwrl costs 0 real_cost = 150.718 model1.ts-submitted costs 0 real_cost = 152.505 2i5iA costs 0 real_cost = -883.2 # command:CPU_time= 2249.38 sec, elapsed time= 3055.98 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