/projects/compbio/experiments/protein-predict/casp7/starter-directory/Make.main:725: SECONDARY_TARGET = T0379.t06.str2 rm -f decoys/evaluate_1.rdb sed -e s/XXX0000/T0379/ -e s/START_COL/1/ \ -e s/REAL_PDB/2i6xA/ \ -e s/_domain/_1/ \ -e s/read-pdb/read-pdb+servers/ \ -e 's/ReadConformPDBids/# ReadConformPDBids/' \ -e 's/# ReadConformPDB /ReadConformPDB /' \ -e 's/include COSTFCN.costfcn//' \ -e s/.COSTFCN// \ < /projects/compbio/experiments/protein-predict/casp7/starter-directory/evaluate.under \ | nice -2 /projects/compbio/programs/undertaker/undertaker # command:# Seed set to 1170236017 # command:# Prefix for input files set to /projects/compbio/experiments/undertaker/atoms-inputs/ # command:# reading monomeric-50pc.atoms # trans (non-proline) backbone unit: # CA= -2.2088 1.0126 -0.0031 # O= -0.1499 2.2440 0.0017 # C= -0.6889 1.1368 0.0000 # N+1= 0.0000 0.0000 0.0000 # CA+1= 1.4581 0.0000 0.0000 # cis backbone unit: # CA= -0.1462 2.4515 0.0018 # O= -2.0272 0.9713 0.0022 # C= -0.8006 1.0755 0.0000 # N+1= 0.0000 0.0000 0.0000 # CA+1= 1.4659 0.0000 0.0000 # trans backbone unit before proline: # CA= -2.2099 1.0634 -0.0014 # O= -0.1233 2.2459 0.0075 # C= -0.6871 1.1518 0.0000 # N+1= 0.0000 0.0000 0.0000 # CA+1= 1.4660 0.0000 0.0000 # After reading monomeric-50pc.atoms have 448 chains in training database # Count of chains,residues,atoms: 448,112605,876684 # 109826 residues have no bad marker # 665 residues lack atoms needed to compute omega # 322 residues have cis peptide # number of each bad type: # NON_STANDARD_RESIDUE 6 # HAS_OXT 325 # TOO_MANY_ATOMS 1 # TOO_FEW_ATOMS 523 # HAS_UNKNOWN_ATOMS 2 # HAS_DUPLICATE_ATOMS 0 # CHAIN_BREAK_BEFORE 208 # NON_PLANAR_PEPTIDE 143 # BAD_PEPTIDE 1959 # Note: may sum to more than number of residues, # because one residue may have multiple problems # command:# Reading rotamer library from dunbrack-1332.rot # command:# Prefix for input files set to /projects/compbio/experiments/undertaker/spots/ # command:# ReadAtomType exp-pdb.types Read AtomType exp-pdb with 49 types. # command:# ReadClashTable exp-pdb-2191-2symm.clash # Read ClashTable exp-pdb-2191-2symm checking bonds symmetric at MaxSep 2 # command:# command:CPU_time= 17.2804 sec, elapsed time= 17.6082 sec) # command:# Reading spots from monomeric-50pc-dry-5.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-dry-5.hist # created burial cost function dry5 with radius 5 with spots at monomeric-50pc-dry-5.spot # command:# Reading spots from monomeric-50pc-wet-6.5.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-wet-6.5.hist # created burial cost function wet6.5 with radius 6.5 with spots at monomeric-50pc-wet-6.5.spot # command:# Reading spots from monomeric-50pc-dry-6.5.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-dry-6.5.hist # created burial cost function dry6.5 with radius 6.5 with spots at monomeric-50pc-dry-6.5.spot # command:# Reading spots from monomeric-50pc-generic-6.5.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-generic-6.5.hist # created burial cost function gen6.5 with radius 6.5 with spots at monomeric-50pc-generic-6.5.spot # command:# Reading spots from near-backbone-center.spot # reading histogram from smoothed-near-backbone-2spot.hist # Reading spots from near-backbone-count.spot # created burial cost function near_backbone with radius 9.65 with spots at near-backbone-center.spot counting only near-backbone-count.spot # command:# Reading spots from way-back-center.spot # reading histogram from smoothed-way-back-2spot.hist # Reading spots from way-back-count.spot # created burial cost function way_back with radius 8.9 with spots at way-back-center.spot counting only way-back-count.spot # command:# Reading spots from monomeric-50pc-dry-8.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-dry-8.hist # created burial cost function dry8 with radius 8 with spots at monomeric-50pc-dry-8.spot # command:# Reading spots from monomeric-50pc-dry-10.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-dry-10.hist # created burial cost function dry10 with radius 10 with spots at monomeric-50pc-dry-10.spot # command:# Reading spots from monomeric-50pc-dry-12.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-dry-12.hist # created burial cost function dry12 with radius 12 with spots at monomeric-50pc-dry-12.spot # command:# reading histogram from dunbrack-2191-alpha.hist # created alpha cost function alpha with offset 0 and 360 bins # command:# reading histogram from dunbrack-2191-alpha-1.hist # created alpha cost function alpha_prev with offset -1 and 360 bins # command:# Prefix for input files set to /projects/compbio/lib/alphabet/ # command:# Read 3 alphabets from alpha.alphabet # command:CPU_time= 17.5093 sec, elapsed time= 17.9523 sec) # command:# Prefix for input files set to # command:# Making conformation for sequence T0379 numbered 1 through 208 Created new target T0379 from T0379.a2m # command:# command:# No conformations to remove in PopConform # command:# cleared Id set # command:# command:# ReadConformPDB reading from PDB file T0379_1.real.pdb looking for model 1 Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 115, because occupancy 5.0000000e-01 <= existing 0.500 in T0379_1.real.pdb Skipped atom 117, because occupancy 0.500 <= existing 0.500 in T0379_1.real.pdb Skipped atom 119, because occupancy 0.500 <= existing 0.500 in T0379_1.real.pdb Skipped atom 121, because occupancy 0.500 <= existing 0.500 in T0379_1.real.pdb Skipped atom 123, because occupancy 0.500 <= existing 0.500 in T0379_1.real.pdb Skipped atom 125, because occupancy 0.500 <= existing 0.500 in T0379_1.real.pdb Skipped atom 127, because occupancy 0.500 <= existing 0.500 in T0379_1.real.pdb Skipped atom 129, because occupancy 0.500 <= existing 0.500 in T0379_1.real.pdb Skipped atom 131, because occupancy 0.500 <= existing 0.500 in T0379_1.real.pdb Skipped atom 133, because occupancy 0.500 <= existing 0.500 in T0379_1.real.pdb Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 997, because occupancy 0.500 <= existing 0.500 in T0379_1.real.pdb Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 999, because occupancy 0.500 <= existing 0.500 in T0379_1.real.pdb Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1001, because occupancy 0.500 <= existing 0.500 in T0379_1.real.pdb Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1003, because occupancy 0.500 <= existing 0.500 in T0379_1.real.pdb Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1005, because occupancy 0.500 <= existing 0.500 in T0379_1.real.pdb Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1007, because occupancy 0.500 <= existing 0.500 in T0379_1.real.pdb Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1009, because occupancy 0.500 <= existing 0.500 in T0379_1.real.pdb Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1011, because occupancy 0.500 <= existing 0.500 in T0379_1.real.pdb Skipped atom 1100, because occupancy 0.500 <= existing 0.500 in T0379_1.real.pdb Skipped atom 1104, because occupancy 0.500 <= existing 0.500 in T0379_1.real.pdb Skipped atom 1106, because occupancy 0.500 <= existing 0.500 in T0379_1.real.pdb Skipped atom 1108, because occupancy 0.500 <= existing 0.500 in T0379_1.real.pdb Skipped atom 1110, because occupancy 0.500 <= existing 0.500 in T0379_1.real.pdb Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1500, because occupancy 0.500 <= existing 0.500 in T0379_1.real.pdb Skipped atom 1502, because occupancy 0.500 <= existing 0.500 in T0379_1.real.pdb Skipped atom 1504, because occupancy 0.500 <= existing 0.500 in T0379_1.real.pdb Skipped atom 1506, because occupancy 0.500 <= existing 0.500 in T0379_1.real.pdb Skipped atom 1508, because occupancy 0.500 <= existing 0.500 in T0379_1.real.pdb Skipped atom 1510, because occupancy 0.500 <= existing 0.500 in T0379_1.real.pdb Skipped atom 1512, because occupancy 0.500 <= existing 0.500 in T0379_1.real.pdb Skipped atom 1514, because occupancy 0.500 <= existing 0.500 in T0379_1.real.pdb Skipped atom 1516, because occupancy 0.500 <= existing 0.500 in T0379_1.real.pdb Skipped atom 1518, because occupancy 0.500 <= existing 0.500 in T0379_1.real.pdb Skipped atom 1520, because occupancy 0.500 <= existing 0.500 in T0379_1.real.pdb Skipped atom 1701, because occupancy 0.500 <= existing 0.500 in T0379_1.real.pdb Skipped atom 1705, because occupancy 0.500 <= existing 0.500 in T0379_1.real.pdb Skipped atom 1707, because occupancy 0.500 <= existing 0.500 in T0379_1.real.pdb Skipped atom 1709, because occupancy 0.500 <= existing 0.500 in T0379_1.real.pdb Skipped atom 1711, because occupancy 0.500 <= existing 0.500 in T0379_1.real.pdb Skipped atom 1713, because occupancy 0.500 <= existing 0.500 in T0379_1.real.pdb Skipped atom 1715, because occupancy 0.500 <= existing 0.500 in T0379_1.real.pdb Skipped atom 1717, because occupancy 0.500 <= existing 0.500 in T0379_1.real.pdb # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # command:# Saving current conformation as real # command:# Prefix for output files set to decoys/ # command:# SetRealCost created real_cost = # ( 50 * real_hbond + 50 * real_hbond_u + 50 * decoy_hbond + 50 * decoy_hbond_u + 10 * real_NO_hbond + 10 * real_NO_hbond_u + 10 * decoy_NO_hbond + 10 * decoy_NO_hbond_u + 10 * knot + 200 * clens + 0 * rmsd + 35 * log_rmsd + 0 * rmsd_ca + 30 * log_rmsd_ca + 1 * GDT + 1 * smooth_GDT + 0.2 * missing_atoms ) # command:# SetCost created cost = # ) # command:CPU_time= 23.9604 sec, elapsed time= 24.4238 sec) # command:# Prefix for input files set to # command:# ReadConformPDB reading from PDB file model1.ts-submitted looking for model 1 # choosing archetypes in rotamer library # Found a chain break before 192 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -76.9643 # GDT_score(maxd=8,maxw=2.9)= -79.8707 # GDT_score(maxd=8,maxw=3.2)= -76.8149 # GDT_score(maxd=8,maxw=3.5)= -73.3679 # GDT_score(maxd=10,maxw=3.8)= -75.6831 # GDT_score(maxd=10,maxw=4)= -73.3684 # GDT_score(maxd=10,maxw=4.2)= -71.0478 # GDT_score(maxd=12,maxw=4.3)= -74.572 # GDT_score(maxd=12,maxw=4.5)= -72.3205 # GDT_score(maxd=12,maxw=4.7)= -70.1022 # GDT_score(maxd=14,maxw=5.2)= -68.5109 # GDT_score(maxd=14,maxw=5.5)= -65.4641 # command:# request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_246774256.pdb -s /var/tmp/to_scwrl_246774256.seq -o /var/tmp/from_scwrl_246774256.pdb > /var/tmp/scwrl_246774256.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_246774256.pdb # conformation set from SCWRL output # command:# naming current conformation model1-scwrl # command:# Prefix for output files set to # command:superimposing iter= 0 total_weight= 1686.000 rmsd (weighted)= 3.855 (unweighted)= 36.789 superimposing iter= 1 total_weight= 5888.591 rmsd (weighted)= 1.408 (unweighted)= 36.381 superimposing iter= 2 total_weight= 2512.264 rmsd (weighted)= 0.924 (unweighted)= 36.336 superimposing iter= 3 total_weight= 1370.750 rmsd (weighted)= 0.832 (unweighted)= 36.331 superimposing iter= 4 total_weight= 1179.262 rmsd (weighted)= 0.809 (unweighted)= 36.335 superimposing iter= 5 total_weight= 1139.778 rmsd (weighted)= 0.801 (unweighted)= 36.340 # command:# Prefix for output files set to decoys/ # command:# ReadConformPDB reading from PDB file model2.ts-submitted looking for model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -74.8214 # GDT_score(maxd=8,maxw=2.9)= -78.3338 # GDT_score(maxd=8,maxw=3.2)= -75.1686 # GDT_score(maxd=8,maxw=3.5)= -71.7372 # GDT_score(maxd=10,maxw=3.8)= -74.1175 # GDT_score(maxd=10,maxw=4)= -71.9331 # GDT_score(maxd=10,maxw=4.2)= -69.7417 # GDT_score(maxd=12,maxw=4.3)= -73.2118 # GDT_score(maxd=12,maxw=4.5)= -71.0776 # GDT_score(maxd=12,maxw=4.7)= -68.9703 # GDT_score(maxd=14,maxw=5.2)= -67.5687 # GDT_score(maxd=14,maxw=5.5)= -64.6319 # command:# request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1798045872.pdb -s /var/tmp/to_scwrl_1798045872.seq -o /var/tmp/from_scwrl_1798045872.pdb > /var/tmp/scwrl_1798045872.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1798045872.pdb # conformation set from SCWRL output # command:# naming current conformation model2-scwrl # command:# ReadConformPDB reading from PDB file model3.ts-submitted looking for model 1 # Found a chain break before 189 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -76.25 # GDT_score(maxd=8,maxw=2.9)= -79.3632 # GDT_score(maxd=8,maxw=3.2)= -76.0218 # GDT_score(maxd=8,maxw=3.5)= -72.3474 # GDT_score(maxd=10,maxw=3.8)= -74.8291 # GDT_score(maxd=10,maxw=4)= -72.3499 # GDT_score(maxd=10,maxw=4.2)= -69.9235 # GDT_score(maxd=12,maxw=4.3)= -73.6097 # GDT_score(maxd=12,maxw=4.5)= -71.2773 # GDT_score(maxd=12,maxw=4.7)= -69.09 # GDT_score(maxd=14,maxw=5.2)= -67.7108 # GDT_score(maxd=14,maxw=5.5)= -64.9292 # command:# request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1565194412.pdb -s /var/tmp/to_scwrl_1565194412.seq -o /var/tmp/from_scwrl_1565194412.pdb > /var/tmp/scwrl_1565194412.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1565194412.pdb # conformation set from SCWRL output # command:# naming current conformation model3-scwrl # command:# ReadConformPDB reading from PDB file model4.ts-submitted looking for model 1 # Found a chain break before 194 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -65.8929 # GDT_score(maxd=8,maxw=2.9)= -69.098 # GDT_score(maxd=8,maxw=3.2)= -65.7871 # GDT_score(maxd=8,maxw=3.5)= -62.6438 # GDT_score(maxd=10,maxw=3.8)= -65.3447 # GDT_score(maxd=10,maxw=4)= -63.3101 # GDT_score(maxd=10,maxw=4.2)= -61.2825 # GDT_score(maxd=12,maxw=4.3)= -64.9931 # GDT_score(maxd=12,maxw=4.5)= -63.0027 # GDT_score(maxd=12,maxw=4.7)= -61.0513 # GDT_score(maxd=14,maxw=5.2)= -60.1898 # GDT_score(maxd=14,maxw=5.5)= -57.4833 # command:# request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_502697356.pdb -s /var/tmp/to_scwrl_502697356.seq -o /var/tmp/from_scwrl_502697356.pdb > /var/tmp/scwrl_502697356.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_502697356.pdb # conformation set from SCWRL output # command:# naming current conformation model4-scwrl # command:# ReadConformPDB reading from PDB file model5.ts-submitted looking for model 1 # Found a chain break before 197 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -59.8214 # GDT_score(maxd=8,maxw=2.9)= -60.4861 # GDT_score(maxd=8,maxw=3.2)= -57.4725 # GDT_score(maxd=8,maxw=3.5)= -54.6167 # GDT_score(maxd=10,maxw=3.8)= -57.94 # GDT_score(maxd=10,maxw=4)= -56.1401 # GDT_score(maxd=10,maxw=4.2)= -54.3346 # GDT_score(maxd=12,maxw=4.3)= -58.087 # GDT_score(maxd=12,maxw=4.5)= -56.2848 # GDT_score(maxd=12,maxw=4.7)= -54.5084 # GDT_score(maxd=14,maxw=5.2)= -54.0785 # GDT_score(maxd=14,maxw=5.5)= -51.6099 # command:# request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1897964706.pdb -s /var/tmp/to_scwrl_1897964706.seq -o /var/tmp/from_scwrl_1897964706.pdb > /var/tmp/scwrl_1897964706.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1897964706.pdb # conformation set from SCWRL output # command:# naming current conformation model5-scwrl # command:# Prefix for input files set to decoys/ # command:# ReadConformPDB reading from PDB file T0379.try1-opt2.pdb looking for model 1 # Found a chain break before 193 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -74.2857 # GDT_score(maxd=8,maxw=2.9)= -77.6396 # GDT_score(maxd=8,maxw=3.2)= -74.5452 # GDT_score(maxd=8,maxw=3.5)= -71.2525 # GDT_score(maxd=10,maxw=3.8)= -73.6796 # GDT_score(maxd=10,maxw=4)= -71.5769 # GDT_score(maxd=10,maxw=4.2)= -69.423 # GDT_score(maxd=12,maxw=4.3)= -72.9099 # GDT_score(maxd=12,maxw=4.5)= -70.8055 # GDT_score(maxd=12,maxw=4.7)= -68.6976 # GDT_score(maxd=14,maxw=5.2)= -67.3268 # GDT_score(maxd=14,maxw=5.5)= -64.4735 # command:# Prefix for output files set to # command:superimposing iter= 0 total_weight= 1686.000 rmsd (weighted)= 3.986 (unweighted)= 37.022 superimposing iter= 1 total_weight= 5902.520 rmsd (weighted)= 1.460 (unweighted)= 36.613 superimposing iter= 2 total_weight= 2634.824 rmsd (weighted)= 0.930 (unweighted)= 36.597 superimposing iter= 3 total_weight= 1459.594 rmsd (weighted)= 0.809 (unweighted)= 36.612 superimposing iter= 4 total_weight= 1220.908 rmsd (weighted)= 0.772 (unweighted)= 36.622 superimposing iter= 5 total_weight= 1161.986 rmsd (weighted)= 0.756 (unweighted)= 36.628 # command:# Prefix for output files set to decoys/ # command:# Prefix for input files set to # command:# ReadConformPDB reading from PDB file T0379.undertaker-align.pdb looking for model 1 WARNING: atoms too close: (T0379)F59.C and (T0379)R60.C only 0.000 apart, marking (T0379)R60.C as missing WARNING: atoms too close: (T0379)R60.N and (T0379)T61.N only 0.000 apart, marking (T0379)R60.N as missing WARNING: atoms too close: (T0379)R60.CA and (T0379)T61.CA only 0.000 apart, marking (T0379)R60.CA as missing WARNING: atoms too close: (T0379)S64.C and (T0379)R65.C only 0.000 apart, marking (T0379)R65.C as missing WARNING: atoms too close: (T0379)R65.N and (T0379)Y66.N only 0.000 apart, marking (T0379)R65.N as missing WARNING: atoms too close: (T0379)R65.CA and (T0379)Y66.CA only 0.000 apart, marking (T0379)R65.CA as missing WARNING: atoms too close: (T0379)R99.C and (T0379)D101.C only 0.000 apart, marking (T0379)D101.C as missing WARNING: atoms too close: (T0379)P100.N and (T0379)Y102.N only 0.000 apart, marking (T0379)P100.N as missing WARNING: atoms too close: (T0379)P100.CA and (T0379)Y102.CA only 0.000 apart, marking (T0379)P100.CA as missing WARNING: atoms too close: (T0379)F123.C and (T0379)T129.C only 0.000 apart, marking (T0379)T129.C as missing WARNING: atoms too close: (T0379)L124.N and (T0379)L130.N only 0.000 apart, marking (T0379)L124.N as missing WARNING: atoms too close: (T0379)L124.CA and (T0379)L130.CA only 0.000 apart, marking (T0379)L124.CA as missing # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # command:# naming current conformation align1 # command:# fraction of real conformation used = 0.842857 # GDT_score = -57.8571 # GDT_score(maxd=8,maxw=2.9)= -60.026 # GDT_score(maxd=8,maxw=3.2)= -57.0677 # GDT_score(maxd=8,maxw=3.5)= -54.1541 # GDT_score(maxd=10,maxw=3.8)= -56.685 # GDT_score(maxd=10,maxw=4)= -54.8364 # GDT_score(maxd=10,maxw=4.2)= -53.0765 # GDT_score(maxd=12,maxw=4.3)= -56.1954 # GDT_score(maxd=12,maxw=4.5)= -54.4759 # GDT_score(maxd=12,maxw=4.7)= -52.8469 # GDT_score(maxd=14,maxw=5.2)= -52.1004 # GDT_score(maxd=14,maxw=5.5)= -49.7976 # command:# ReadConformPDB reading from PDB file T0379.undertaker-align.pdb looking for model 2 WARNING: atoms too close: (T0379)I14.C and (T0379)H15.C only 0.000 apart, marking (T0379)H15.C as missing WARNING: atoms too close: (T0379)H15.N and (T0379)L16.N only 0.000 apart, marking (T0379)H15.N as missing WARNING: atoms too close: (T0379)H15.CA and (T0379)L16.CA only 0.000 apart, marking (T0379)H15.CA as missing WARNING: atoms too close: (T0379)G44.C and (T0379)D48.C only 0.000 apart, marking (T0379)D48.C as missing WARNING: atoms too close: (T0379)L45.N and (T0379)L49.N only 0.000 apart, marking (T0379)L45.N as missing WARNING: atoms too close: (T0379)L45.CA and (T0379)L49.CA only 0.000 apart, marking (T0379)L45.CA as missing WARNING: atoms too close: (T0379)F123.C and (T0379)T129.C only 0.000 apart, marking (T0379)T129.C as missing WARNING: atoms too close: (T0379)L124.N and (T0379)L130.N only 0.000 apart, marking (T0379)L124.N as missing WARNING: atoms too close: (T0379)L124.CA and (T0379)L130.CA only 0.000 apart, marking (T0379)L124.CA as missing # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # command:# naming current conformation align2 # command:# fraction of real conformation used = 0.95 # GDT_score = -70 # GDT_score(maxd=8,maxw=2.9)= -72.8519 # GDT_score(maxd=8,maxw=3.2)= -69.5701 # GDT_score(maxd=8,maxw=3.5)= -66.2799 # GDT_score(maxd=10,maxw=3.8)= -68.6987 # GDT_score(maxd=10,maxw=4)= -66.5505 # GDT_score(maxd=10,maxw=4.2)= -64.4522 # GDT_score(maxd=12,maxw=4.3)= -67.8218 # GDT_score(maxd=12,maxw=4.5)= -65.7786 # GDT_score(maxd=12,maxw=4.7)= -63.7816 # GDT_score(maxd=14,maxw=5.2)= -62.4871 # GDT_score(maxd=14,maxw=5.5)= -59.7096 # command:# ReadConformPDB reading from PDB file T0379.undertaker-align.pdb looking for model 3 WARNING: atoms too close: (T0379)Q75.C and (T0379)V76.C only 0.000 apart, marking (T0379)V76.C as missing WARNING: atoms too close: (T0379)V76.N and (T0379)Y77.N only 0.000 apart, marking (T0379)V76.N as missing WARNING: atoms too close: (T0379)V76.CA and (T0379)Y77.CA only 0.000 apart, marking (T0379)V76.CA as missing WARNING: atoms too close: (T0379)F123.C and (T0379)T129.C only 0.000 apart, marking (T0379)T129.C as missing WARNING: atoms too close: (T0379)L124.N and (T0379)L130.N only 0.000 apart, marking (T0379)L124.N as missing WARNING: atoms too close: (T0379)L124.CA and (T0379)L130.CA only 0.000 apart, marking (T0379)L124.CA as missing # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # command:# naming current conformation align3 # command:# ReadConformPDB reading from PDB file T0379.undertaker-align.pdb looking for model 4 WARNING: atoms too close: (T0379)F123.C and (T0379)T129.C only 0.000 apart, marking (T0379)T129.C as missing WARNING: atoms too close: (T0379)L124.N and (T0379)L130.N only 0.000 apart, marking (T0379)L124.N as missing WARNING: atoms too close: (T0379)L124.CA and (T0379)L130.CA only 0.000 apart, marking (T0379)L124.CA as missing # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # command:# naming current conformation align4 # command:# ReadConformPDB reading from PDB file T0379.undertaker-align.pdb looking for model 5 WARNING: atoms too close: (T0379)F123.C and (T0379)T129.C only 0.000 apart, marking (T0379)T129.C as missing WARNING: atoms too close: (T0379)L124.N and (T0379)L130.N only 0.000 apart, marking (T0379)L124.N as missing WARNING: atoms too close: (T0379)L124.CA and (T0379)L130.CA only 0.000 apart, marking (T0379)L124.CA as missing # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # command:# naming current conformation align5 # command:# Prefix for input files set to decoys/ # command:# reading script from file read-pdb+servers.under # ReadConformPDB reading from PDB file ../model1.ts-submitted looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model2.ts-submitted looking for model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model3.ts-submitted looking for model 1 # Found a chain break before 189 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model4.ts-submitted looking for model 1 # Found a chain break before 194 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model5.ts-submitted looking for model 1 # Found a chain break before 197 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try1-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 193 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try1-opt1.pdb.gz looking for model 1 # Found a chain break before 193 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try1-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 197 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try1-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 197 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try1-opt2.pdb.gz looking for model 1 # Found a chain break before 193 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try1-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 193 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try10-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 172 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try10-opt1.pdb.gz looking for model 1 # Found a chain break before 172 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try10-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 194 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try10-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 194 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try10-opt2.pdb.gz looking for model 1 # Found a chain break before 193 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try10-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 193 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try11-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try11-opt1.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try11-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 194 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try11-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 194 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try11-opt2.pdb.gz looking for model 1 # Found a chain break before 196 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try11-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 196 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try12-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try12-opt1.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try12-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 194 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try12-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 194 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try12-opt2.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try12-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try13-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 189 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try13-opt1.pdb.gz looking for model 1 # Found a chain break before 189 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try13-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 207 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try13-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 207 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try13-opt2.pdb.gz looking for model 1 # Found a chain break before 189 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try13-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 189 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try14-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 189 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try14-opt1.pdb.gz looking for model 1 # Found a chain break before 189 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try14-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 207 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try14-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 207 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try14-opt2.pdb.gz looking for model 1 # Found a chain break before 189 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try14-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 189 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try15-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 194 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try15-opt1.pdb.gz looking for model 1 # Found a chain break before 194 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try15-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 189 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try15-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 189 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try15-opt2.pdb.gz looking for model 1 # Found a chain break before 194 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try15-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 194 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try16-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 148 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try16-opt1.pdb.gz looking for model 1 # Found a chain break before 148 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try16-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 194 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try16-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 194 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try16-opt2.pdb.gz looking for model 1 # Found a chain break before 148 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try16-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 148 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try17-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 194 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try17-opt1.pdb.gz looking for model 1 # Found a chain break before 194 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try17-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 189 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try17-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 189 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try17-opt2.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try17-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try18-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 194 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try18-opt1.pdb.gz looking for model 1 # Found a chain break before 194 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try18-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 189 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try18-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 189 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try18-opt2.pdb.gz looking for model 1 # Found a chain break before 194 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try18-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 194 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try19-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 197 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try19-opt1.pdb.gz looking for model 1 # Found a chain break before 197 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try19-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 193 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try19-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 193 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try19-opt2.pdb.gz looking for model 1 # Found a chain break before 197 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try19-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 197 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try2-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try2-opt1.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try2-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 197 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try2-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 197 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try2-opt2.pdb.gz looking for model 1 # Found a chain break before 194 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try2-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 194 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try20-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try20-opt1.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try20-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 189 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try20-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 189 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try20-opt2.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try20-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try21-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try21-opt1.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try21-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 189 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try21-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 189 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try21-opt2.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try21-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try22-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try22-opt1.pdb.gz looking for model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try22-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 188 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try22-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 188 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try22-opt2.pdb.gz looking for model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try22-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try23-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try23-opt1.pdb.gz looking for model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try23-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 193 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try23-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 193 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try23-opt2.pdb.gz looking for model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try23-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try24-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try24-opt1.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try24-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 189 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try24-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 189 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try24-opt2.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try24-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try25-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 196 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try25-opt1.pdb.gz looking for model 1 # Found a chain break before 196 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try25-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 184 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try25-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 184 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try25-opt2.pdb.gz looking for model 1 # Found a chain break before 196 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try25-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 196 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try26-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try26-opt1.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try26-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 194 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try26-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 194 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try26-opt2.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try26-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try27-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try27-opt1.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try27-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 194 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try27-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 194 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try27-opt2.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try27-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try28-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try28-opt1.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try28-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 189 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try28-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 189 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try28-opt2.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try28-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try29-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 197 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try29-opt1.pdb.gz looking for model 1 # Found a chain break before 197 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try29-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 193 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try29-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 193 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try29-opt2.pdb.gz looking for model 1 # Found a chain break before 197 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try29-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 197 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try3-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try3-opt1.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try3-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 194 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try3-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 194 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try3-opt2.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try3-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try4-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 196 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try4-opt1.pdb.gz looking for model 1 # Found a chain break before 196 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try4-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 189 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try4-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 189 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try4-opt2.pdb.gz looking for model 1 # Found a chain break before 196 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try4-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 196 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try5-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try5-opt1.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try5-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 202 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try5-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 202 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try5-opt2.pdb.gz looking for model 1 # Found a chain break before 201 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try5-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 201 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try6-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 204 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try6-opt1.pdb.gz looking for model 1 # Found a chain break before 204 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try6-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 180 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try6-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 180 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try6-opt2.pdb.gz looking for model 1 # Found a chain break before 204 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try6-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 204 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try7-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 194 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try7-opt1.pdb.gz looking for model 1 # Found a chain break before 194 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try7-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 189 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try7-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 189 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try7-opt2.pdb.gz looking for model 1 # Found a chain break before 194 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try7-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 194 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try8-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 194 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try8-opt1.pdb.gz looking for model 1 # Found a chain break before 194 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try8-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 189 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try8-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 189 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try8-opt2.pdb.gz looking for model 1 # Found a chain break before 194 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try8-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 194 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try9-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 194 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try9-opt1.pdb.gz looking for model 1 # Found a chain break before 194 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try9-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 194 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try9-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 194 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try9-opt2.pdb.gz looking for model 1 # Found a chain break before 194 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try9-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 194 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_652745050.pdb -s /var/tmp/to_scwrl_652745050.seq -o /var/tmp/from_scwrl_652745050.pdb > /var/tmp/scwrl_652745050.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_652745050.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_POPULUS_TS1-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_833430328.pdb -s /var/tmp/to_scwrl_833430328.seq -o /var/tmp/from_scwrl_833430328.pdb > /var/tmp/scwrl_833430328.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_833430328.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_POPULUS_TS2-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1102900894.pdb -s /var/tmp/to_scwrl_1102900894.seq -o /var/tmp/from_scwrl_1102900894.pdb > /var/tmp/scwrl_1102900894.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1102900894.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_POPULUS_TS3-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_784618400.pdb -s /var/tmp/to_scwrl_784618400.seq -o /var/tmp/from_scwrl_784618400.pdb > /var/tmp/scwrl_784618400.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_784618400.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_POPULUS_TS4-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1185909079.pdb -s /var/tmp/to_scwrl_1185909079.seq -o /var/tmp/from_scwrl_1185909079.pdb > /var/tmp/scwrl_1185909079.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1185909079.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_POPULUS_TS5-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1140470619.pdb -s /var/tmp/to_scwrl_1140470619.seq -o /var/tmp/from_scwrl_1140470619.pdb > /var/tmp/scwrl_1140470619.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1140470619.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_RECOM_TS1-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_66526536.pdb -s /var/tmp/to_scwrl_66526536.seq -o /var/tmp/from_scwrl_66526536.pdb > /var/tmp/scwrl_66526536.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_66526536.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_RECOM_TS2-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1100174236.pdb -s /var/tmp/to_scwrl_1100174236.seq -o /var/tmp/from_scwrl_1100174236.pdb > /var/tmp/scwrl_1100174236.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1100174236.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_RECOM_TS3-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1270091969.pdb -s /var/tmp/to_scwrl_1270091969.seq -o /var/tmp/from_scwrl_1270091969.pdb > /var/tmp/scwrl_1270091969.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1270091969.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_RECOM_TS4-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1468299715.pdb -s /var/tmp/to_scwrl_1468299715.seq -o /var/tmp/from_scwrl_1468299715.pdb > /var/tmp/scwrl_1468299715.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1468299715.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_RECOM_TS5-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_717390007.pdb -s /var/tmp/to_scwrl_717390007.seq -o /var/tmp/from_scwrl_717390007.pdb > /var/tmp/scwrl_717390007.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_717390007.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_TS1-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1832626443.pdb -s /var/tmp/to_scwrl_1832626443.seq -o /var/tmp/from_scwrl_1832626443.pdb > /var/tmp/scwrl_1832626443.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1832626443.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_TS2-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_114962871.pdb -s /var/tmp/to_scwrl_114962871.seq -o /var/tmp/from_scwrl_114962871.pdb > /var/tmp/scwrl_114962871.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_114962871.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_TS3-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_147601611.pdb -s /var/tmp/to_scwrl_147601611.seq -o /var/tmp/from_scwrl_147601611.pdb > /var/tmp/scwrl_147601611.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_147601611.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_TS4-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1247631260.pdb -s /var/tmp/to_scwrl_1247631260.seq -o /var/tmp/from_scwrl_1247631260.pdb > /var/tmp/scwrl_1247631260.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1247631260.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_TS5-scwrl # ReadConformPDB reading from PDB file servers/3Dpro_TS1.pdb.gz looking for model 1 # Found a chain break before 197 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_251076033.pdb -s /var/tmp/to_scwrl_251076033.seq -o /var/tmp/from_scwrl_251076033.pdb > /var/tmp/scwrl_251076033.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_251076033.pdb # conformation set from SCWRL output # naming current conformation 3Dpro_TS1-scwrl # ReadConformPDB reading from PDB file servers/3Dpro_TS2.pdb.gz looking for model 1 # Found a chain break before 197 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1558142379.pdb -s /var/tmp/to_scwrl_1558142379.seq -o /var/tmp/from_scwrl_1558142379.pdb > /var/tmp/scwrl_1558142379.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1558142379.pdb # conformation set from SCWRL output # naming current conformation 3Dpro_TS2-scwrl # ReadConformPDB reading from PDB file servers/3Dpro_TS3.pdb.gz looking for model 1 # Found a chain break before 197 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_979436146.pdb -s /var/tmp/to_scwrl_979436146.seq -o /var/tmp/from_scwrl_979436146.pdb > /var/tmp/scwrl_979436146.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_979436146.pdb # conformation set from SCWRL output # naming current conformation 3Dpro_TS3-scwrl # ReadConformPDB reading from PDB file servers/3Dpro_TS4.pdb.gz looking for model 1 # Found a chain break before 197 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1306415717.pdb -s /var/tmp/to_scwrl_1306415717.seq -o /var/tmp/from_scwrl_1306415717.pdb > /var/tmp/scwrl_1306415717.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1306415717.pdb # conformation set from SCWRL output # naming current conformation 3Dpro_TS4-scwrl # ReadConformPDB reading from PDB file servers/3Dpro_TS5.pdb.gz looking for model 1 # Found a chain break before 197 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1333846702.pdb -s /var/tmp/to_scwrl_1333846702.seq -o /var/tmp/from_scwrl_1333846702.pdb > /var/tmp/scwrl_1333846702.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1333846702.pdb # conformation set from SCWRL output # naming current conformation 3Dpro_TS5-scwrl # ReadConformPDB reading from PDB file servers/ABIpro_TS1.pdb.gz looking for model 1 # Found a chain break before 166 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_798403719.pdb -s /var/tmp/to_scwrl_798403719.seq -o /var/tmp/from_scwrl_798403719.pdb > /var/tmp/scwrl_798403719.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_798403719.pdb # conformation set from SCWRL output # naming current conformation ABIpro_TS1-scwrl # ReadConformPDB reading from PDB file servers/ABIpro_TS2.pdb.gz looking for model 1 # Found a chain break before 205 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1234154983.pdb -s /var/tmp/to_scwrl_1234154983.seq -o /var/tmp/from_scwrl_1234154983.pdb > /var/tmp/scwrl_1234154983.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1234154983.pdb # conformation set from SCWRL output # naming current conformation ABIpro_TS2-scwrl # ReadConformPDB reading from PDB file servers/ABIpro_TS3.pdb.gz looking for model 1 # Found a chain break before 200 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_680096208.pdb -s /var/tmp/to_scwrl_680096208.seq -o /var/tmp/from_scwrl_680096208.pdb > /var/tmp/scwrl_680096208.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_680096208.pdb # conformation set from SCWRL output # naming current conformation ABIpro_TS3-scwrl # ReadConformPDB reading from PDB file servers/ABIpro_TS4.pdb.gz looking for model 1 # Found a chain break before 199 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1801987542.pdb -s /var/tmp/to_scwrl_1801987542.seq -o /var/tmp/from_scwrl_1801987542.pdb > /var/tmp/scwrl_1801987542.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1801987542.pdb # conformation set from SCWRL output # naming current conformation ABIpro_TS4-scwrl # ReadConformPDB reading from PDB file servers/ABIpro_TS5.pdb.gz looking for model 1 # Found a chain break before 168 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1862454645.pdb -s /var/tmp/to_scwrl_1862454645.seq -o /var/tmp/from_scwrl_1862454645.pdb > /var/tmp/scwrl_1862454645.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1862454645.pdb # conformation set from SCWRL output # naming current conformation ABIpro_TS5-scwrl # ReadConformPDB reading from PDB file servers/BayesHH_TS1.pdb.gz looking for model 1 # Found a chain break before 166 # copying to AlignedFragments data structure # naming current conformation BayesHH_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1293460488.pdb -s /var/tmp/to_scwrl_1293460488.seq -o /var/tmp/from_scwrl_1293460488.pdb > /var/tmp/scwrl_1293460488.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1293460488.pdb # conformation set from SCWRL output # naming current conformation BayesHH_TS1-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS1.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_2048761799.pdb -s /var/tmp/to_scwrl_2048761799.seq -o /var/tmp/from_scwrl_2048761799.pdb > /var/tmp/scwrl_2048761799.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2048761799.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS1-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS2.pdb.gz looking for model 1 # Found a chain break before 200 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1513016871.pdb -s /var/tmp/to_scwrl_1513016871.seq -o /var/tmp/from_scwrl_1513016871.pdb > /var/tmp/scwrl_1513016871.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1513016871.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS2-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS3.pdb.gz looking for model 1 # Found a chain break before 166 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_711171255.pdb -s /var/tmp/to_scwrl_711171255.seq -o /var/tmp/from_scwrl_711171255.pdb > /var/tmp/scwrl_711171255.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_711171255.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS3-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS4.pdb.gz looking for model 1 # Found a chain break before 186 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_403975508.pdb -s /var/tmp/to_scwrl_403975508.seq -o /var/tmp/from_scwrl_403975508.pdb > /var/tmp/scwrl_403975508.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_403975508.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS4-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS5.pdb.gz looking for model 1 # Found a chain break before 186 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1263497930.pdb -s /var/tmp/to_scwrl_1263497930.seq -o /var/tmp/from_scwrl_1263497930.pdb > /var/tmp/scwrl_1263497930.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1263497930.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS5-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS1.pdb.gz looking for model 1 # Found a chain break before 205 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1363916304.pdb -s /var/tmp/to_scwrl_1363916304.seq -o /var/tmp/from_scwrl_1363916304.pdb > /var/tmp/scwrl_1363916304.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1363916304.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS1-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS2.pdb.gz looking for model 1 # Found a chain break before 207 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1237405835.pdb -s /var/tmp/to_scwrl_1237405835.seq -o /var/tmp/from_scwrl_1237405835.pdb > /var/tmp/scwrl_1237405835.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1237405835.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS2-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS3.pdb.gz looking for model 1 # Found a chain break before 207 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_218915178.pdb -s /var/tmp/to_scwrl_218915178.seq -o /var/tmp/from_scwrl_218915178.pdb > /var/tmp/scwrl_218915178.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_218915178.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS3-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1051057.pdb -s /var/tmp/to_scwrl_1051057.seq -o /var/tmp/from_scwrl_1051057.pdb > /var/tmp/scwrl_1051057.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1051057.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS4-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS5.pdb.gz looking for model 1 # Found a chain break before 203 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_275831268.pdb -s /var/tmp/to_scwrl_275831268.seq -o /var/tmp/from_scwrl_275831268.pdb > /var/tmp/scwrl_275831268.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_275831268.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS5-scwrl # ReadConformPDB reading from PDB file servers/CPHmodels_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation CPHmodels_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1359385797.pdb -s /var/tmp/to_scwrl_1359385797.seq -o /var/tmp/from_scwrl_1359385797.pdb > /var/tmp/scwrl_1359385797.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1359385797.pdb # conformation set from SCWRL output # naming current conformation CPHmodels_TS1-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_67577593.pdb -s /var/tmp/to_scwrl_67577593.seq -o /var/tmp/from_scwrl_67577593.pdb > /var/tmp/scwrl_67577593.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_67577593.pdb # conformation set from SCWRL output # naming current conformation CaspIta-FOX_TS1-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS2.pdb.gz looking for model 1 # Found a chain break before 129 # copying to AlignedFragments data structure # naming current conformation CaspIta-FOX_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1376005505.pdb -s /var/tmp/to_scwrl_1376005505.seq -o /var/tmp/from_scwrl_1376005505.pdb > /var/tmp/scwrl_1376005505.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1376005505.pdb # conformation set from SCWRL output # naming current conformation CaspIta-FOX_TS2-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS3.pdb.gz looking for model 1 # Found a chain break before 186 # copying to AlignedFragments data structure # naming current conformation CaspIta-FOX_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_481994120.pdb -s /var/tmp/to_scwrl_481994120.seq -o /var/tmp/from_scwrl_481994120.pdb > /var/tmp/scwrl_481994120.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_481994120.pdb # conformation set from SCWRL output # naming current conformation CaspIta-FOX_TS3-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS4.pdb.gz looking for model 1 # Found a chain break before 187 # copying to AlignedFragments data structure # naming current conformation CaspIta-FOX_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1535877309.pdb -s /var/tmp/to_scwrl_1535877309.seq -o /var/tmp/from_scwrl_1535877309.pdb > /var/tmp/scwrl_1535877309.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1535877309.pdb # conformation set from SCWRL output # naming current conformation CaspIta-FOX_TS4-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation CaspIta-FOX_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_2093395512.pdb -s /var/tmp/to_scwrl_2093395512.seq -o /var/tmp/from_scwrl_2093395512.pdb > /var/tmp/scwrl_2093395512.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2093395512.pdb # conformation set from SCWRL output # naming current conformation CaspIta-FOX_TS5-scwrl # ReadConformPDB reading from PDB file servers/Distill_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation Distill_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_167136916.pdb -s /var/tmp/to_scwrl_167136916.seq -o /var/tmp/from_scwrl_167136916.pdb > /var/tmp/scwrl_167136916.log Error: Couldn't open file /var/tmp/from_scwrl_167136916.pdb or /var/tmp/from_scwrl_167136916.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_167136916_b.pdb or decoys//var/tmp/from_scwrl_167136916_b.pdb.gz for input Trying /var/tmp/from_scwrl_167136916_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_167136916_b.pdb or /var/tmp/from_scwrl_167136916_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_167136916_a.pdb or decoys//var/tmp/from_scwrl_167136916_a.pdb.gz for input Trying /var/tmp/from_scwrl_167136916_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_167136916_a.pdb or /var/tmp/from_scwrl_167136916_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_167136916.pdb or /var/tmp/from_scwrl_167136916_b.pdb or /var/tmp/from_scwrl_167136916_a.pdb Error: no new SCWRL conformation added # naming current conformation Distill_TS1-scwrl # ReadConformPDB reading from PDB file servers/Distill_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation Distill_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1650840180.pdb -s /var/tmp/to_scwrl_1650840180.seq -o /var/tmp/from_scwrl_1650840180.pdb > /var/tmp/scwrl_1650840180.log Error: Couldn't open file /var/tmp/from_scwrl_1650840180.pdb or /var/tmp/from_scwrl_1650840180.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1650840180_b.pdb or decoys//var/tmp/from_scwrl_1650840180_b.pdb.gz for input Trying /var/tmp/from_scwrl_1650840180_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1650840180_b.pdb or /var/tmp/from_scwrl_1650840180_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1650840180_a.pdb or decoys//var/tmp/from_scwrl_1650840180_a.pdb.gz for input Trying /var/tmp/from_scwrl_1650840180_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1650840180_a.pdb or /var/tmp/from_scwrl_1650840180_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1650840180.pdb or /var/tmp/from_scwrl_1650840180_b.pdb or /var/tmp/from_scwrl_1650840180_a.pdb Error: no new SCWRL conformation added # naming current conformation Distill_TS2-scwrl # ReadConformPDB reading from PDB file servers/Distill_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation Distill_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_93513476.pdb -s /var/tmp/to_scwrl_93513476.seq -o /var/tmp/from_scwrl_93513476.pdb > /var/tmp/scwrl_93513476.log Error: Couldn't open file /var/tmp/from_scwrl_93513476.pdb or /var/tmp/from_scwrl_93513476.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_93513476_b.pdb or decoys//var/tmp/from_scwrl_93513476_b.pdb.gz for input Trying /var/tmp/from_scwrl_93513476_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_93513476_b.pdb or /var/tmp/from_scwrl_93513476_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_93513476_a.pdb or decoys//var/tmp/from_scwrl_93513476_a.pdb.gz for input Trying /var/tmp/from_scwrl_93513476_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_93513476_a.pdb or /var/tmp/from_scwrl_93513476_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_93513476.pdb or /var/tmp/from_scwrl_93513476_b.pdb or /var/tmp/from_scwrl_93513476_a.pdb Error: no new SCWRL conformation added # naming current conformation Distill_TS3-scwrl # ReadConformPDB reading from PDB file servers/Distill_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation Distill_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1414768177.pdb -s /var/tmp/to_scwrl_1414768177.seq -o /var/tmp/from_scwrl_1414768177.pdb > /var/tmp/scwrl_1414768177.log Error: Couldn't open file /var/tmp/from_scwrl_1414768177.pdb or /var/tmp/from_scwrl_1414768177.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1414768177_b.pdb or decoys//var/tmp/from_scwrl_1414768177_b.pdb.gz for input Trying /var/tmp/from_scwrl_1414768177_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1414768177_b.pdb or /var/tmp/from_scwrl_1414768177_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1414768177_a.pdb or decoys//var/tmp/from_scwrl_1414768177_a.pdb.gz for input Trying /var/tmp/from_scwrl_1414768177_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1414768177_a.pdb or /var/tmp/from_scwrl_1414768177_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1414768177.pdb or /var/tmp/from_scwrl_1414768177_b.pdb or /var/tmp/from_scwrl_1414768177_a.pdb Error: no new SCWRL conformation added # naming current conformation Distill_TS4-scwrl # ReadConformPDB reading from PDB file servers/Distill_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation Distill_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1901916214.pdb -s /var/tmp/to_scwrl_1901916214.seq -o /var/tmp/from_scwrl_1901916214.pdb > /var/tmp/scwrl_1901916214.log Error: Couldn't open file /var/tmp/from_scwrl_1901916214.pdb or /var/tmp/from_scwrl_1901916214.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1901916214_b.pdb or decoys//var/tmp/from_scwrl_1901916214_b.pdb.gz for input Trying /var/tmp/from_scwrl_1901916214_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1901916214_b.pdb or /var/tmp/from_scwrl_1901916214_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1901916214_a.pdb or decoys//var/tmp/from_scwrl_1901916214_a.pdb.gz for input Trying /var/tmp/from_scwrl_1901916214_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1901916214_a.pdb or /var/tmp/from_scwrl_1901916214_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1901916214.pdb or /var/tmp/from_scwrl_1901916214_b.pdb or /var/tmp/from_scwrl_1901916214_a.pdb Error: no new SCWRL conformation added # naming current conformation Distill_TS5-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS1.pdb.gz looking for model 1 # Found a chain break before 204 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1651655855.pdb -s /var/tmp/to_scwrl_1651655855.seq -o /var/tmp/from_scwrl_1651655855.pdb > /var/tmp/scwrl_1651655855.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1651655855.pdb # conformation set from SCWRL output # naming current conformation FAMSD_TS1-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation FAMSD_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_246720676.pdb -s /var/tmp/to_scwrl_246720676.seq -o /var/tmp/from_scwrl_246720676.pdb > /var/tmp/scwrl_246720676.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_246720676.pdb # conformation set from SCWRL output # naming current conformation FAMSD_TS2-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation FAMSD_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1060848285.pdb -s /var/tmp/to_scwrl_1060848285.seq -o /var/tmp/from_scwrl_1060848285.pdb > /var/tmp/scwrl_1060848285.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1060848285.pdb # conformation set from SCWRL output # naming current conformation FAMSD_TS3-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation FAMSD_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_838018911.pdb -s /var/tmp/to_scwrl_838018911.seq -o /var/tmp/from_scwrl_838018911.pdb > /var/tmp/scwrl_838018911.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_838018911.pdb # conformation set from SCWRL output # naming current conformation FAMSD_TS4-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FAMSD_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1045124395.pdb -s /var/tmp/to_scwrl_1045124395.seq -o /var/tmp/from_scwrl_1045124395.pdb > /var/tmp/scwrl_1045124395.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1045124395.pdb # conformation set from SCWRL output # naming current conformation FAMSD_TS5-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS1.pdb.gz looking for model 1 # Found a chain break before 203 # copying to AlignedFragments data structure # naming current conformation FAMS_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_147519621.pdb -s /var/tmp/to_scwrl_147519621.seq -o /var/tmp/from_scwrl_147519621.pdb > /var/tmp/scwrl_147519621.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_147519621.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS1-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation FAMS_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1518115118.pdb -s /var/tmp/to_scwrl_1518115118.seq -o /var/tmp/from_scwrl_1518115118.pdb > /var/tmp/scwrl_1518115118.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1518115118.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS2-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS3.pdb.gz looking for model 1 # Found a chain break before 203 # copying to AlignedFragments data structure # naming current conformation FAMS_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_699628291.pdb -s /var/tmp/to_scwrl_699628291.seq -o /var/tmp/from_scwrl_699628291.pdb > /var/tmp/scwrl_699628291.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_699628291.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS3-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS4.pdb.gz looking for model 1 # Found a chain break before 205 # copying to AlignedFragments data structure # naming current conformation FAMS_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_2009974267.pdb -s /var/tmp/to_scwrl_2009974267.seq -o /var/tmp/from_scwrl_2009974267.pdb > /var/tmp/scwrl_2009974267.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2009974267.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS4-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS5.pdb.gz looking for model 1 # Found a chain break before 207 # copying to AlignedFragments data structure # naming current conformation FAMS_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_664091960.pdb -s /var/tmp/to_scwrl_664091960.seq -o /var/tmp/from_scwrl_664091960.pdb > /var/tmp/scwrl_664091960.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_664091960.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS5-scwrl # ReadConformPDB reading from PDB file servers/FOLDpro_TS1.pdb.gz looking for model 1 # Found a chain break before 197 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_600906443.pdb -s /var/tmp/to_scwrl_600906443.seq -o /var/tmp/from_scwrl_600906443.pdb > /var/tmp/scwrl_600906443.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_600906443.pdb # conformation set from SCWRL output # naming current conformation FOLDpro_TS1-scwrl # ReadConformPDB reading from PDB file servers/FOLDpro_TS2.pdb.gz looking for model 1 # Found a chain break before 197 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1375507491.pdb -s /var/tmp/to_scwrl_1375507491.seq -o /var/tmp/from_scwrl_1375507491.pdb > /var/tmp/scwrl_1375507491.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1375507491.pdb # conformation set from SCWRL output # naming current conformation FOLDpro_TS2-scwrl # ReadConformPDB reading from PDB file servers/FOLDpro_TS3.pdb.gz looking for model 1 # Found a chain break before 204 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1375263214.pdb -s /var/tmp/to_scwrl_1375263214.seq -o /var/tmp/from_scwrl_1375263214.pdb > /var/tmp/scwrl_1375263214.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1375263214.pdb # conformation set from SCWRL output # naming current conformation FOLDpro_TS3-scwrl # ReadConformPDB reading from PDB file servers/FOLDpro_TS4.pdb.gz looking for model 1 # Found a chain break before 194 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1004881951.pdb -s /var/tmp/to_scwrl_1004881951.seq -o /var/tmp/from_scwrl_1004881951.pdb > /var/tmp/scwrl_1004881951.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1004881951.pdb # conformation set from SCWRL output # naming current conformation FOLDpro_TS4-scwrl # ReadConformPDB reading from PDB file servers/FOLDpro_TS5.pdb.gz looking for model 1 # Found a chain break before 194 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_491521775.pdb -s /var/tmp/to_scwrl_491521775.seq -o /var/tmp/from_scwrl_491521775.pdb > /var/tmp/scwrl_491521775.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_491521775.pdb # conformation set from SCWRL output # naming current conformation FOLDpro_TS5-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation FORTE1_AL1 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_591695873.pdb -s /var/tmp/to_scwrl_591695873.seq -o /var/tmp/from_scwrl_591695873.pdb > /var/tmp/scwrl_591695873.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_591695873.pdb # conformation set from SCWRL output # naming current conformation FORTE1_AL1-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL2.pdb.gz looking for model 1 Skipped atom 11, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz Skipped atom 304, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation FORTE1_AL2 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_94804140.pdb -s /var/tmp/to_scwrl_94804140.seq -o /var/tmp/from_scwrl_94804140.pdb > /var/tmp/scwrl_94804140.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_94804140.pdb # conformation set from SCWRL output # naming current conformation FORTE1_AL2-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL3.pdb.gz looking for model 1 Skipped atom 806, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL3.pdb.gz Skipped atom 808, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL3.pdb.gz Skipped atom 810, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL3.pdb.gz Skipped atom 812, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL3.pdb.gz # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation FORTE1_AL3 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_710436953.pdb -s /var/tmp/to_scwrl_710436953.seq -o /var/tmp/from_scwrl_710436953.pdb > /var/tmp/scwrl_710436953.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_710436953.pdb # conformation set from SCWRL output # naming current conformation FORTE1_AL3-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL4 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_592746930.pdb -s /var/tmp/to_scwrl_592746930.seq -o /var/tmp/from_scwrl_592746930.pdb > /var/tmp/scwrl_592746930.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_592746930.pdb # conformation set from SCWRL output # naming current conformation FORTE1_AL4-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL5.pdb.gz looking for model 1 Skipped atom 34, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 36, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 38, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 40, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 98, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 100, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 102, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 104, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 190, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 192, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 194, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 196, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 246, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 248, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 250, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 252, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 486, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 488, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 490, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 492, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation FORTE1_AL5 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_370635408.pdb -s /var/tmp/to_scwrl_370635408.seq -o /var/tmp/from_scwrl_370635408.pdb > /var/tmp/scwrl_370635408.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_370635408.pdb # conformation set from SCWRL output # naming current conformation FORTE1_AL5-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL1.pdb.gz looking for model 1 Skipped atom 11, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 304, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation FORTE2_AL1 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_2069822751.pdb -s /var/tmp/to_scwrl_2069822751.seq -o /var/tmp/from_scwrl_2069822751.pdb > /var/tmp/scwrl_2069822751.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2069822751.pdb # conformation set from SCWRL output # naming current conformation FORTE2_AL1-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation FORTE2_AL2 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_660324524.pdb -s /var/tmp/to_scwrl_660324524.seq -o /var/tmp/from_scwrl_660324524.pdb > /var/tmp/scwrl_660324524.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_660324524.pdb # conformation set from SCWRL output # naming current conformation FORTE2_AL2-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL3.pdb.gz looking for model 1 Skipped atom 34, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL3.pdb.gz Skipped atom 36, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL3.pdb.gz Skipped atom 38, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL3.pdb.gz Skipped atom 40, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL3.pdb.gz Skipped atom 98, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL3.pdb.gz Skipped atom 100, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL3.pdb.gz Skipped atom 102, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL3.pdb.gz Skipped atom 104, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL3.pdb.gz Skipped atom 190, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL3.pdb.gz Skipped atom 192, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL3.pdb.gz Skipped atom 194, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL3.pdb.gz Skipped atom 196, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL3.pdb.gz Skipped atom 246, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL3.pdb.gz Skipped atom 248, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL3.pdb.gz Skipped atom 250, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL3.pdb.gz Skipped atom 252, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL3.pdb.gz Skipped atom 486, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL3.pdb.gz Skipped atom 488, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL3.pdb.gz Skipped atom 490, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL3.pdb.gz Skipped atom 492, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL3.pdb.gz # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation FORTE2_AL3 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1746640913.pdb -s /var/tmp/to_scwrl_1746640913.seq -o /var/tmp/from_scwrl_1746640913.pdb > /var/tmp/scwrl_1746640913.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1746640913.pdb # conformation set from SCWRL output # naming current conformation FORTE2_AL3-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE2_AL4 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_404333224.pdb -s /var/tmp/to_scwrl_404333224.seq -o /var/tmp/from_scwrl_404333224.pdb > /var/tmp/scwrl_404333224.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_404333224.pdb # conformation set from SCWRL output # naming current conformation FORTE2_AL4-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation FORTE2_AL5 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_48718186.pdb -s /var/tmp/to_scwrl_48718186.seq -o /var/tmp/from_scwrl_48718186.pdb > /var/tmp/scwrl_48718186.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_48718186.pdb # conformation set from SCWRL output # naming current conformation FORTE2_AL5-scwrl # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS1.pdb.gz looking for model 1 # Found a chain break before 207 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1692552778.pdb -s /var/tmp/to_scwrl_1692552778.seq -o /var/tmp/from_scwrl_1692552778.pdb > /var/tmp/scwrl_1692552778.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1692552778.pdb # conformation set from SCWRL output # naming current conformation FPSOLVER-SERVER_TS1-scwrl # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS2.pdb.gz looking for model 1 # Found a chain break before 200 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_571470141.pdb -s /var/tmp/to_scwrl_571470141.seq -o /var/tmp/from_scwrl_571470141.pdb > /var/tmp/scwrl_571470141.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_571470141.pdb # conformation set from SCWRL output # naming current conformation FPSOLVER-SERVER_TS2-scwrl # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS3.pdb.gz looking for model 1 # Found a chain break before 150 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1699558366.pdb -s /var/tmp/to_scwrl_1699558366.seq -o /var/tmp/from_scwrl_1699558366.pdb > /var/tmp/scwrl_1699558366.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1699558366.pdb # conformation set from SCWRL output # naming current conformation FPSOLVER-SERVER_TS3-scwrl # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS4.pdb.gz looking for model 1 # Found a chain break before 207 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1786066254.pdb -s /var/tmp/to_scwrl_1786066254.seq -o /var/tmp/from_scwrl_1786066254.pdb > /var/tmp/scwrl_1786066254.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1786066254.pdb # conformation set from SCWRL output # naming current conformation FPSOLVER-SERVER_TS4-scwrl # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS5.pdb.gz looking for model 1 # Found a chain break before 194 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1986238318.pdb -s /var/tmp/to_scwrl_1986238318.seq -o /var/tmp/from_scwrl_1986238318.pdb > /var/tmp/scwrl_1986238318.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1986238318.pdb # conformation set from SCWRL output # naming current conformation FPSOLVER-SERVER_TS5-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1453990933.pdb -s /var/tmp/to_scwrl_1453990933.seq -o /var/tmp/from_scwrl_1453990933.pdb > /var/tmp/scwrl_1453990933.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1453990933.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS1-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS2.pdb.gz looking for model 1 # Found a chain break before 164 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1290238462.pdb -s /var/tmp/to_scwrl_1290238462.seq -o /var/tmp/from_scwrl_1290238462.pdb > /var/tmp/scwrl_1290238462.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1290238462.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS2-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS3.pdb.gz looking for model 1 # Found a chain break before 197 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_85475347.pdb -s /var/tmp/to_scwrl_85475347.seq -o /var/tmp/from_scwrl_85475347.pdb > /var/tmp/scwrl_85475347.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_85475347.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS3-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS4.pdb.gz looking for model 1 # Found a chain break before 194 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_367355572.pdb -s /var/tmp/to_scwrl_367355572.seq -o /var/tmp/from_scwrl_367355572.pdb > /var/tmp/scwrl_367355572.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_367355572.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS4-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS5.pdb.gz looking for model 1 # Found a chain break before 150 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_2128257373.pdb -s /var/tmp/to_scwrl_2128257373.seq -o /var/tmp/from_scwrl_2128257373.pdb > /var/tmp/scwrl_2128257373.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2128257373.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS5-scwrl # ReadConformPDB reading from PDB file servers/FUGUE_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation FUGUE_AL1 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1130599741.pdb -s /var/tmp/to_scwrl_1130599741.seq -o /var/tmp/from_scwrl_1130599741.pdb > /var/tmp/scwrl_1130599741.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1130599741.pdb # conformation set from SCWRL output # naming current conformation FUGUE_AL1-scwrl # ReadConformPDB reading from PDB file servers/FUGUE_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation FUGUE_AL2 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_514875193.pdb -s /var/tmp/to_scwrl_514875193.seq -o /var/tmp/from_scwrl_514875193.pdb > /var/tmp/scwrl_514875193.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_514875193.pdb # conformation set from SCWRL output # naming current conformation FUGUE_AL2-scwrl # ReadConformPDB reading from PDB file servers/FUGUE_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation FUGUE_AL3 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1498888844.pdb -s /var/tmp/to_scwrl_1498888844.seq -o /var/tmp/from_scwrl_1498888844.pdb > /var/tmp/scwrl_1498888844.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1498888844.pdb # conformation set from SCWRL output # naming current conformation FUGUE_AL3-scwrl # ReadConformPDB reading from PDB file servers/FUGUE_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation FUGUE_AL4 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1830228032.pdb -s /var/tmp/to_scwrl_1830228032.seq -o /var/tmp/from_scwrl_1830228032.pdb > /var/tmp/scwrl_1830228032.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1830228032.pdb # conformation set from SCWRL output # naming current conformation FUGUE_AL4-scwrl # ReadConformPDB reading from PDB file servers/FUGUE_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation FUGUE_AL5 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_377365813.pdb -s /var/tmp/to_scwrl_377365813.seq -o /var/tmp/from_scwrl_377365813.pdb > /var/tmp/scwrl_377365813.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_377365813.pdb # conformation set from SCWRL output # naming current conformation FUGUE_AL5-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_15497158.pdb -s /var/tmp/to_scwrl_15497158.seq -o /var/tmp/from_scwrl_15497158.pdb > /var/tmp/scwrl_15497158.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_15497158.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS1-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation FUNCTION_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_283650828.pdb -s /var/tmp/to_scwrl_283650828.seq -o /var/tmp/from_scwrl_283650828.pdb > /var/tmp/scwrl_283650828.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_283650828.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS2-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1752873304.pdb -s /var/tmp/to_scwrl_1752873304.seq -o /var/tmp/from_scwrl_1752873304.pdb > /var/tmp/scwrl_1752873304.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1752873304.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS3-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation FUNCTION_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1390760372.pdb -s /var/tmp/to_scwrl_1390760372.seq -o /var/tmp/from_scwrl_1390760372.pdb > /var/tmp/scwrl_1390760372.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1390760372.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS4-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1288532779.pdb -s /var/tmp/to_scwrl_1288532779.seq -o /var/tmp/from_scwrl_1288532779.pdb > /var/tmp/scwrl_1288532779.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1288532779.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS5-scwrl # ReadConformPDB reading from PDB file servers/Frankenstein_TS1.pdb.gz looking for model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_96911432.pdb -s /var/tmp/to_scwrl_96911432.seq -o /var/tmp/from_scwrl_96911432.pdb > /var/tmp/scwrl_96911432.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_96911432.pdb # conformation set from SCWRL output # naming current conformation Frankenstein_TS1-scwrl # ReadConformPDB reading from PDB file servers/Frankenstein_TS2.pdb.gz looking for model 1 # Found a chain break before 174 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1982456245.pdb -s /var/tmp/to_scwrl_1982456245.seq -o /var/tmp/from_scwrl_1982456245.pdb > /var/tmp/scwrl_1982456245.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1982456245.pdb # conformation set from SCWRL output # naming current conformation Frankenstein_TS2-scwrl # ReadConformPDB reading from PDB file servers/Frankenstein_TS3.pdb.gz looking for model 1 # Found a chain break before 193 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1383336919.pdb -s /var/tmp/to_scwrl_1383336919.seq -o /var/tmp/from_scwrl_1383336919.pdb > /var/tmp/scwrl_1383336919.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1383336919.pdb # conformation set from SCWRL output # naming current conformation Frankenstein_TS3-scwrl # ReadConformPDB reading from PDB file servers/Frankenstein_TS4.pdb.gz looking for model 1 # Found a chain break before 203 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_807348386.pdb -s /var/tmp/to_scwrl_807348386.seq -o /var/tmp/from_scwrl_807348386.pdb > /var/tmp/scwrl_807348386.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_807348386.pdb # conformation set from SCWRL output # naming current conformation Frankenstein_TS4-scwrl # ReadConformPDB reading from PDB file servers/Frankenstein_TS5.pdb.gz looking for model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_427719529.pdb -s /var/tmp/to_scwrl_427719529.seq -o /var/tmp/from_scwrl_427719529.pdb > /var/tmp/scwrl_427719529.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_427719529.pdb # conformation set from SCWRL output # naming current conformation Frankenstein_TS5-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1753972327.pdb -s /var/tmp/to_scwrl_1753972327.seq -o /var/tmp/from_scwrl_1753972327.pdb > /var/tmp/scwrl_1753972327.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1753972327.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS1-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_729687490.pdb -s /var/tmp/to_scwrl_729687490.seq -o /var/tmp/from_scwrl_729687490.pdb > /var/tmp/scwrl_729687490.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_729687490.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS2-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1088044052.pdb -s /var/tmp/to_scwrl_1088044052.seq -o /var/tmp/from_scwrl_1088044052.pdb > /var/tmp/scwrl_1088044052.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1088044052.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS4-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1353129594.pdb -s /var/tmp/to_scwrl_1353129594.seq -o /var/tmp/from_scwrl_1353129594.pdb > /var/tmp/scwrl_1353129594.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1353129594.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS5-scwrl # ReadConformPDB reading from PDB file servers/HHpred1_TS1.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # naming current conformation HHpred1_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1134020713.pdb -s /var/tmp/to_scwrl_1134020713.seq -o /var/tmp/from_scwrl_1134020713.pdb > /var/tmp/scwrl_1134020713.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1134020713.pdb # conformation set from SCWRL output # naming current conformation HHpred1_TS1-scwrl # ReadConformPDB reading from PDB file servers/HHpred2_TS1.pdb.gz looking for model 1 # Found a chain break before 186 # copying to AlignedFragments data structure # naming current conformation HHpred2_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1136762238.pdb -s /var/tmp/to_scwrl_1136762238.seq -o /var/tmp/from_scwrl_1136762238.pdb > /var/tmp/scwrl_1136762238.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1136762238.pdb # conformation set from SCWRL output # naming current conformation HHpred2_TS1-scwrl # ReadConformPDB reading from PDB file servers/HHpred3_TS1.pdb.gz looking for model 1 # Found a chain break before 196 # copying to AlignedFragments data structure # naming current conformation HHpred3_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_898198726.pdb -s /var/tmp/to_scwrl_898198726.seq -o /var/tmp/from_scwrl_898198726.pdb > /var/tmp/scwrl_898198726.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_898198726.pdb # conformation set from SCWRL output # naming current conformation HHpred3_TS1-scwrl # ReadConformPDB reading from PDB file servers/Huber-Torda-Server_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1705490854.pdb -s /var/tmp/to_scwrl_1705490854.seq -o /var/tmp/from_scwrl_1705490854.pdb > /var/tmp/scwrl_1705490854.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1705490854.pdb # conformation set from SCWRL output # naming current conformation Huber-Torda-Server_TS1-scwrl # ReadConformPDB reading from PDB file servers/Huber-Torda-Server_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_688836958.pdb -s /var/tmp/to_scwrl_688836958.seq -o /var/tmp/from_scwrl_688836958.pdb > /var/tmp/scwrl_688836958.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_688836958.pdb # conformation set from SCWRL output # naming current conformation Huber-Torda-Server_TS2-scwrl # ReadConformPDB reading from PDB file servers/Huber-Torda-Server_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_536781334.pdb -s /var/tmp/to_scwrl_536781334.seq -o /var/tmp/from_scwrl_536781334.pdb > /var/tmp/scwrl_536781334.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_536781334.pdb # conformation set from SCWRL output # naming current conformation Huber-Torda-Server_TS3-scwrl # ReadConformPDB reading from PDB file servers/Huber-Torda-Server_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1544245525.pdb -s /var/tmp/to_scwrl_1544245525.seq -o /var/tmp/from_scwrl_1544245525.pdb > /var/tmp/scwrl_1544245525.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1544245525.pdb # conformation set from SCWRL output # naming current conformation Huber-Torda-Server_TS4-scwrl # ReadConformPDB reading from PDB file servers/Huber-Torda-Server_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_2142827892.pdb -s /var/tmp/to_scwrl_2142827892.seq -o /var/tmp/from_scwrl_2142827892.pdb > /var/tmp/scwrl_2142827892.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2142827892.pdb # conformation set from SCWRL output # naming current conformation Huber-Torda-Server_TS5-scwrl # ReadConformPDB reading from PDB file servers/LOOPP_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation LOOPP_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1827019796.pdb -s /var/tmp/to_scwrl_1827019796.seq -o /var/tmp/from_scwrl_1827019796.pdb > /var/tmp/scwrl_1827019796.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1827019796.pdb # conformation set from SCWRL output # naming current conformation LOOPP_TS1-scwrl # ReadConformPDB reading from PDB file servers/LOOPP_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation LOOPP_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1629720872.pdb -s /var/tmp/to_scwrl_1629720872.seq -o /var/tmp/from_scwrl_1629720872.pdb > /var/tmp/scwrl_1629720872.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1629720872.pdb # conformation set from SCWRL output # naming current conformation LOOPP_TS2-scwrl # ReadConformPDB reading from PDB file servers/LOOPP_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation LOOPP_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_362699817.pdb -s /var/tmp/to_scwrl_362699817.seq -o /var/tmp/from_scwrl_362699817.pdb > /var/tmp/scwrl_362699817.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_362699817.pdb # conformation set from SCWRL output # naming current conformation LOOPP_TS3-scwrl # ReadConformPDB reading from PDB file servers/LOOPP_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation LOOPP_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1807793523.pdb -s /var/tmp/to_scwrl_1807793523.seq -o /var/tmp/from_scwrl_1807793523.pdb > /var/tmp/scwrl_1807793523.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1807793523.pdb # conformation set from SCWRL output # naming current conformation LOOPP_TS4-scwrl # ReadConformPDB reading from PDB file servers/LOOPP_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation LOOPP_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_612836968.pdb -s /var/tmp/to_scwrl_612836968.seq -o /var/tmp/from_scwrl_612836968.pdb > /var/tmp/scwrl_612836968.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_612836968.pdb # conformation set from SCWRL output # naming current conformation LOOPP_TS5-scwrl # ReadConformPDB reading from PDB file servers/MIG_FROST_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation MIG_FROST_AL1 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_877575010.pdb -s /var/tmp/to_scwrl_877575010.seq -o /var/tmp/from_scwrl_877575010.pdb > /var/tmp/scwrl_877575010.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_877575010.pdb # conformation set from SCWRL output # naming current conformation MIG_FROST_AL1-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS1.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1159198720.pdb -s /var/tmp/to_scwrl_1159198720.seq -o /var/tmp/from_scwrl_1159198720.pdb > /var/tmp/scwrl_1159198720.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1159198720.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server2_TS1-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS2.pdb.gz looking for model 1 # Found a chain break before 204 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_295581353.pdb -s /var/tmp/to_scwrl_295581353.seq -o /var/tmp/from_scwrl_295581353.pdb > /var/tmp/scwrl_295581353.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_295581353.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server2_TS2-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS3.pdb.gz looking for model 1 # Found a chain break before 203 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1254940823.pdb -s /var/tmp/to_scwrl_1254940823.seq -o /var/tmp/from_scwrl_1254940823.pdb > /var/tmp/scwrl_1254940823.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1254940823.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server2_TS3-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS4.pdb.gz looking for model 1 # Found a chain break before 197 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1174695878.pdb -s /var/tmp/to_scwrl_1174695878.seq -o /var/tmp/from_scwrl_1174695878.pdb > /var/tmp/scwrl_1174695878.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1174695878.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server2_TS4-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS5.pdb.gz looking for model 1 # Found a chain break before 166 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_579232182.pdb -s /var/tmp/to_scwrl_579232182.seq -o /var/tmp/from_scwrl_579232182.pdb > /var/tmp/scwrl_579232182.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_579232182.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server2_TS5-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS1.pdb.gz looking for model 1 # Found a chain break before 197 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_860330481.pdb -s /var/tmp/to_scwrl_860330481.seq -o /var/tmp/from_scwrl_860330481.pdb > /var/tmp/scwrl_860330481.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_860330481.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server_TS1-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS2.pdb.gz looking for model 1 # Found a chain break before 203 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_417972605.pdb -s /var/tmp/to_scwrl_417972605.seq -o /var/tmp/from_scwrl_417972605.pdb > /var/tmp/scwrl_417972605.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_417972605.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server_TS2-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS3.pdb.gz looking for model 1 # Found a chain break before 131 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1867764961.pdb -s /var/tmp/to_scwrl_1867764961.seq -o /var/tmp/from_scwrl_1867764961.pdb > /var/tmp/scwrl_1867764961.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1867764961.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server_TS3-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS4.pdb.gz looking for model 1 # Found a chain break before 166 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_957241914.pdb -s /var/tmp/to_scwrl_957241914.seq -o /var/tmp/from_scwrl_957241914.pdb > /var/tmp/scwrl_957241914.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_957241914.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server_TS4-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS5.pdb.gz looking for model 1 # Found a chain break before 186 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_252945203.pdb -s /var/tmp/to_scwrl_252945203.seq -o /var/tmp/from_scwrl_252945203.pdb > /var/tmp/scwrl_252945203.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_252945203.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server_TS5-scwrl # ReadConformPDB reading from PDB file servers/MetaTasser_TS1.pdb.gz looking for model 1 # Found a chain break before 190 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1103618233.pdb -s /var/tmp/to_scwrl_1103618233.seq -o /var/tmp/from_scwrl_1103618233.pdb > /var/tmp/scwrl_1103618233.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1103618233.pdb # conformation set from SCWRL output # naming current conformation MetaTasser_TS1-scwrl # ReadConformPDB reading from PDB file servers/MetaTasser_TS2.pdb.gz looking for model 1 # Found a chain break before 202 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1764590299.pdb -s /var/tmp/to_scwrl_1764590299.seq -o /var/tmp/from_scwrl_1764590299.pdb > /var/tmp/scwrl_1764590299.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1764590299.pdb # conformation set from SCWRL output # naming current conformation MetaTasser_TS2-scwrl # ReadConformPDB reading from PDB file servers/MetaTasser_TS3.pdb.gz looking for model 1 # Found a chain break before 205 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_680664732.pdb -s /var/tmp/to_scwrl_680664732.seq -o /var/tmp/from_scwrl_680664732.pdb > /var/tmp/scwrl_680664732.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_680664732.pdb # conformation set from SCWRL output # naming current conformation MetaTasser_TS3-scwrl # ReadConformPDB reading from PDB file servers/MetaTasser_TS4.pdb.gz looking for model 1 # Found a chain break before 200 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_710106914.pdb -s /var/tmp/to_scwrl_710106914.seq -o /var/tmp/from_scwrl_710106914.pdb > /var/tmp/scwrl_710106914.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_710106914.pdb # conformation set from SCWRL output # naming current conformation MetaTasser_TS4-scwrl # ReadConformPDB reading from PDB file servers/MetaTasser_TS5.pdb.gz looking for model 1 # Found a chain break before 207 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_346794142.pdb -s /var/tmp/to_scwrl_346794142.seq -o /var/tmp/from_scwrl_346794142.pdb > /var/tmp/scwrl_346794142.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_346794142.pdb # conformation set from SCWRL output # naming current conformation MetaTasser_TS5-scwrl # ReadConformPDB reading from PDB file servers/NN_PUT_lab_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation NN_PUT_lab_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1768708784.pdb -s /var/tmp/to_scwrl_1768708784.seq -o /var/tmp/from_scwrl_1768708784.pdb > /var/tmp/scwrl_1768708784.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1768708784.pdb # conformation set from SCWRL output # naming current conformation NN_PUT_lab_TS1-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS1.pdb.gz looking for model 1 # Found a chain break before 131 # copying to AlignedFragments data structure # naming current conformation PROTINFO-AB_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_2063236508.pdb -s /var/tmp/to_scwrl_2063236508.seq -o /var/tmp/from_scwrl_2063236508.pdb > /var/tmp/scwrl_2063236508.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2063236508.pdb # conformation set from SCWRL output # naming current conformation PROTINFO-AB_TS1-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS2.pdb.gz looking for model 1 # Found a chain break before 135 # copying to AlignedFragments data structure # naming current conformation PROTINFO-AB_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1480814855.pdb -s /var/tmp/to_scwrl_1480814855.seq -o /var/tmp/from_scwrl_1480814855.pdb > /var/tmp/scwrl_1480814855.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1480814855.pdb # conformation set from SCWRL output # naming current conformation PROTINFO-AB_TS2-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS3.pdb.gz looking for model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # naming current conformation PROTINFO-AB_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_757987376.pdb -s /var/tmp/to_scwrl_757987376.seq -o /var/tmp/from_scwrl_757987376.pdb > /var/tmp/scwrl_757987376.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_757987376.pdb # conformation set from SCWRL output # naming current conformation PROTINFO-AB_TS3-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS4.pdb.gz looking for model 1 # Found a chain break before 134 # copying to AlignedFragments data structure # naming current conformation PROTINFO-AB_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_813951588.pdb -s /var/tmp/to_scwrl_813951588.seq -o /var/tmp/from_scwrl_813951588.pdb > /var/tmp/scwrl_813951588.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_813951588.pdb # conformation set from SCWRL output # naming current conformation PROTINFO-AB_TS4-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS5.pdb.gz looking for model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # naming current conformation PROTINFO-AB_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1038822064.pdb -s /var/tmp/to_scwrl_1038822064.seq -o /var/tmp/from_scwrl_1038822064.pdb > /var/tmp/scwrl_1038822064.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1038822064.pdb # conformation set from SCWRL output # naming current conformation PROTINFO-AB_TS5-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS1.pdb.gz looking for model 1 # Found a chain break before 135 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1446824334.pdb -s /var/tmp/to_scwrl_1446824334.seq -o /var/tmp/from_scwrl_1446824334.pdb > /var/tmp/scwrl_1446824334.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1446824334.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS1-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS2.pdb.gz looking for model 1 # Found a chain break before 199 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1350732921.pdb -s /var/tmp/to_scwrl_1350732921.seq -o /var/tmp/from_scwrl_1350732921.pdb > /var/tmp/scwrl_1350732921.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1350732921.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS2-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS3.pdb.gz looking for model 1 # Found a chain break before 200 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_435583942.pdb -s /var/tmp/to_scwrl_435583942.seq -o /var/tmp/from_scwrl_435583942.pdb > /var/tmp/scwrl_435583942.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_435583942.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS3-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS4.pdb.gz looking for model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1442168579.pdb -s /var/tmp/to_scwrl_1442168579.seq -o /var/tmp/from_scwrl_1442168579.pdb > /var/tmp/scwrl_1442168579.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1442168579.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS4-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS5.pdb.gz looking for model 1 # Found a chain break before 205 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1030269071.pdb -s /var/tmp/to_scwrl_1030269071.seq -o /var/tmp/from_scwrl_1030269071.pdb > /var/tmp/scwrl_1030269071.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1030269071.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS5-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation Pcons6_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_2065304815.pdb -s /var/tmp/to_scwrl_2065304815.seq -o /var/tmp/from_scwrl_2065304815.pdb > /var/tmp/scwrl_2065304815.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2065304815.pdb # conformation set from SCWRL output # naming current conformation Pcons6_TS1-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation Pcons6_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1804868396.pdb -s /var/tmp/to_scwrl_1804868396.seq -o /var/tmp/from_scwrl_1804868396.pdb > /var/tmp/scwrl_1804868396.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1804868396.pdb # conformation set from SCWRL output # naming current conformation Pcons6_TS2-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation Pcons6_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_690578947.pdb -s /var/tmp/to_scwrl_690578947.seq -o /var/tmp/from_scwrl_690578947.pdb > /var/tmp/scwrl_690578947.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_690578947.pdb # conformation set from SCWRL output # naming current conformation Pcons6_TS3-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation Pcons6_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_530658136.pdb -s /var/tmp/to_scwrl_530658136.seq -o /var/tmp/from_scwrl_530658136.pdb > /var/tmp/scwrl_530658136.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_530658136.pdb # conformation set from SCWRL output # naming current conformation Pcons6_TS4-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation Pcons6_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_534959759.pdb -s /var/tmp/to_scwrl_534959759.seq -o /var/tmp/from_scwrl_534959759.pdb > /var/tmp/scwrl_534959759.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_534959759.pdb # conformation set from SCWRL output # naming current conformation Pcons6_TS5-scwrl # ReadConformPDB reading from PDB file servers/Phyre-1_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation Phyre-1_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1849777668.pdb -s /var/tmp/to_scwrl_1849777668.seq -o /var/tmp/from_scwrl_1849777668.pdb > /var/tmp/scwrl_1849777668.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1849777668.pdb # conformation set from SCWRL output # naming current conformation Phyre-1_TS1-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_826239489.pdb -s /var/tmp/to_scwrl_826239489.seq -o /var/tmp/from_scwrl_826239489.pdb > /var/tmp/scwrl_826239489.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_826239489.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS1-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS2.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1789900582.pdb -s /var/tmp/to_scwrl_1789900582.seq -o /var/tmp/from_scwrl_1789900582.pdb > /var/tmp/scwrl_1789900582.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1789900582.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS2-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS3.pdb.gz looking for model 1 # Found a chain break before 195 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_876989900.pdb -s /var/tmp/to_scwrl_876989900.seq -o /var/tmp/from_scwrl_876989900.pdb > /var/tmp/scwrl_876989900.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_876989900.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS3-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS4.pdb.gz looking for model 1 # Found a chain break before 207 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1405471670.pdb -s /var/tmp/to_scwrl_1405471670.seq -o /var/tmp/from_scwrl_1405471670.pdb > /var/tmp/scwrl_1405471670.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1405471670.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS4-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_502747417.pdb -s /var/tmp/to_scwrl_502747417.seq -o /var/tmp/from_scwrl_502747417.pdb > /var/tmp/scwrl_502747417.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_502747417.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS5-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS1.pdb.gz looking for model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1294962504.pdb -s /var/tmp/to_scwrl_1294962504.seq -o /var/tmp/from_scwrl_1294962504.pdb > /var/tmp/scwrl_1294962504.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1294962504.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS1-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS2.pdb.gz looking for model 1 # Found a chain break before 123 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1125752984.pdb -s /var/tmp/to_scwrl_1125752984.seq -o /var/tmp/from_scwrl_1125752984.pdb > /var/tmp/scwrl_1125752984.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1125752984.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS2-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1459989330.pdb -s /var/tmp/to_scwrl_1459989330.seq -o /var/tmp/from_scwrl_1459989330.pdb > /var/tmp/scwrl_1459989330.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1459989330.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS3-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1547907708.pdb -s /var/tmp/to_scwrl_1547907708.seq -o /var/tmp/from_scwrl_1547907708.pdb > /var/tmp/scwrl_1547907708.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1547907708.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS4-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_81887571.pdb -s /var/tmp/to_scwrl_81887571.seq -o /var/tmp/from_scwrl_81887571.pdb > /var/tmp/scwrl_81887571.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_81887571.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS5-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS1.pdb.gz looking for model 1 # Found a chain break before 201 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1077095982.pdb -s /var/tmp/to_scwrl_1077095982.seq -o /var/tmp/from_scwrl_1077095982.pdb > /var/tmp/scwrl_1077095982.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1077095982.pdb # conformation set from SCWRL output # naming current conformation RAPTOR-ACE_TS1-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS2.pdb.gz looking for model 1 # Found a chain break before 200 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_81088793.pdb -s /var/tmp/to_scwrl_81088793.seq -o /var/tmp/from_scwrl_81088793.pdb > /var/tmp/scwrl_81088793.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_81088793.pdb # conformation set from SCWRL output # naming current conformation RAPTOR-ACE_TS2-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS3.pdb.gz looking for model 1 # Found a chain break before 196 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_791994486.pdb -s /var/tmp/to_scwrl_791994486.seq -o /var/tmp/from_scwrl_791994486.pdb > /var/tmp/scwrl_791994486.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_791994486.pdb # conformation set from SCWRL output # naming current conformation RAPTOR-ACE_TS3-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS4.pdb.gz looking for model 1 # Found a chain break before 197 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1423890124.pdb -s /var/tmp/to_scwrl_1423890124.seq -o /var/tmp/from_scwrl_1423890124.pdb > /var/tmp/scwrl_1423890124.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1423890124.pdb # conformation set from SCWRL output # naming current conformation RAPTOR-ACE_TS4-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS5.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1849797578.pdb -s /var/tmp/to_scwrl_1849797578.seq -o /var/tmp/from_scwrl_1849797578.pdb > /var/tmp/scwrl_1849797578.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1849797578.pdb # conformation set from SCWRL output # naming current conformation RAPTOR-ACE_TS5-scwrl # ReadConformPDB reading from PDB file servers/RAPTORESS_TS1.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_707747347.pdb -s /var/tmp/to_scwrl_707747347.seq -o /var/tmp/from_scwrl_707747347.pdb > /var/tmp/scwrl_707747347.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_707747347.pdb # conformation set from SCWRL output # naming current conformation RAPTORESS_TS1-scwrl # ReadConformPDB reading from PDB file servers/RAPTORESS_TS2.pdb.gz looking for model 1 # Found a chain break before 196 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_757221333.pdb -s /var/tmp/to_scwrl_757221333.seq -o /var/tmp/from_scwrl_757221333.pdb > /var/tmp/scwrl_757221333.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_757221333.pdb # conformation set from SCWRL output # naming current conformation RAPTORESS_TS2-scwrl # ReadConformPDB reading from PDB file servers/RAPTORESS_TS3.pdb.gz looking for model 1 # Found a chain break before 197 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_460301307.pdb -s /var/tmp/to_scwrl_460301307.seq -o /var/tmp/from_scwrl_460301307.pdb > /var/tmp/scwrl_460301307.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_460301307.pdb # conformation set from SCWRL output # naming current conformation RAPTORESS_TS3-scwrl # ReadConformPDB reading from PDB file servers/RAPTORESS_TS4.pdb.gz looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1521698934.pdb -s /var/tmp/to_scwrl_1521698934.seq -o /var/tmp/from_scwrl_1521698934.pdb > /var/tmp/scwrl_1521698934.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1521698934.pdb # conformation set from SCWRL output # naming current conformation RAPTORESS_TS4-scwrl # ReadConformPDB reading from PDB file servers/RAPTORESS_TS5.pdb.gz looking for model 1 # Found a chain break before 197 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1796043396.pdb -s /var/tmp/to_scwrl_1796043396.seq -o /var/tmp/from_scwrl_1796043396.pdb > /var/tmp/scwrl_1796043396.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1796043396.pdb # conformation set from SCWRL output # naming current conformation RAPTORESS_TS5-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR_TS1.pdb.gz looking for model 1 # Found a chain break before 199 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1907125641.pdb -s /var/tmp/to_scwrl_1907125641.seq -o /var/tmp/from_scwrl_1907125641.pdb > /var/tmp/scwrl_1907125641.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1907125641.pdb # conformation set from SCWRL output # naming current conformation RAPTOR_TS1-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR_TS2.pdb.gz looking for model 1 # Found a chain break before 186 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_724948209.pdb -s /var/tmp/to_scwrl_724948209.seq -o /var/tmp/from_scwrl_724948209.pdb > /var/tmp/scwrl_724948209.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_724948209.pdb # conformation set from SCWRL output # naming current conformation RAPTOR_TS2-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR_TS3.pdb.gz looking for model 1 # Found a chain break before 199 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_84143692.pdb -s /var/tmp/to_scwrl_84143692.seq -o /var/tmp/from_scwrl_84143692.pdb > /var/tmp/scwrl_84143692.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_84143692.pdb # conformation set from SCWRL output # naming current conformation RAPTOR_TS3-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR_TS4.pdb.gz looking for model 1 # Found a chain break before 199 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1201810573.pdb -s /var/tmp/to_scwrl_1201810573.seq -o /var/tmp/from_scwrl_1201810573.pdb > /var/tmp/scwrl_1201810573.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1201810573.pdb # conformation set from SCWRL output # naming current conformation RAPTOR_TS4-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR_TS5.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1755217280.pdb -s /var/tmp/to_scwrl_1755217280.seq -o /var/tmp/from_scwrl_1755217280.pdb > /var/tmp/scwrl_1755217280.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1755217280.pdb # conformation set from SCWRL output # naming current conformation RAPTOR_TS5-scwrl # ReadConformPDB reading from PDB file servers/ROBETTA_TS1.pdb.gz looking for model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1964860.pdb -s /var/tmp/to_scwrl_1964860.seq -o /var/tmp/from_scwrl_1964860.pdb > /var/tmp/scwrl_1964860.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1964860.pdb # conformation set from SCWRL output # naming current conformation ROBETTA_TS1-scwrl # ReadConformPDB reading from PDB file servers/ROBETTA_TS2.pdb.gz looking for model 1 # Found a chain break before 114 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_859195323.pdb -s /var/tmp/to_scwrl_859195323.seq -o /var/tmp/from_scwrl_859195323.pdb > /var/tmp/scwrl_859195323.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_859195323.pdb # conformation set from SCWRL output # naming current conformation ROBETTA_TS2-scwrl # ReadConformPDB reading from PDB file servers/ROBETTA_TS3.pdb.gz looking for model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_298312580.pdb -s /var/tmp/to_scwrl_298312580.seq -o /var/tmp/from_scwrl_298312580.pdb > /var/tmp/scwrl_298312580.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_298312580.pdb # conformation set from SCWRL output # naming current conformation ROBETTA_TS3-scwrl # ReadConformPDB reading from PDB file servers/ROBETTA_TS4.pdb.gz looking for model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_532622996.pdb -s /var/tmp/to_scwrl_532622996.seq -o /var/tmp/from_scwrl_532622996.pdb > /var/tmp/scwrl_532622996.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_532622996.pdb # conformation set from SCWRL output # naming current conformation ROBETTA_TS4-scwrl # ReadConformPDB reading from PDB file servers/ROBETTA_TS5.pdb.gz looking for model 1 # Found a chain break before 123 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1394155082.pdb -s /var/tmp/to_scwrl_1394155082.seq -o /var/tmp/from_scwrl_1394155082.pdb > /var/tmp/scwrl_1394155082.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1394155082.pdb # conformation set from SCWRL output # naming current conformation ROBETTA_TS5-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS1.pdb.gz looking for model 1 # Found a chain break before 197 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_606601.pdb -s /var/tmp/to_scwrl_606601.seq -o /var/tmp/from_scwrl_606601.pdb > /var/tmp/scwrl_606601.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_606601.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS1-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS2.pdb.gz looking for model 1 # Found a chain break before 184 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1358862484.pdb -s /var/tmp/to_scwrl_1358862484.seq -o /var/tmp/from_scwrl_1358862484.pdb > /var/tmp/scwrl_1358862484.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1358862484.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS2-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS3.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1036572018.pdb -s /var/tmp/to_scwrl_1036572018.seq -o /var/tmp/from_scwrl_1036572018.pdb > /var/tmp/scwrl_1036572018.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1036572018.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS3-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS4.pdb.gz looking for model 1 # Found a chain break before 196 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_877596502.pdb -s /var/tmp/to_scwrl_877596502.seq -o /var/tmp/from_scwrl_877596502.pdb > /var/tmp/scwrl_877596502.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_877596502.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS4-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS5.pdb.gz looking for model 1 # Found a chain break before 186 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_616850509.pdb -s /var/tmp/to_scwrl_616850509.seq -o /var/tmp/from_scwrl_616850509.pdb > /var/tmp/scwrl_616850509.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_616850509.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS5-scwrl # ReadConformPDB reading from PDB file servers/SAM-T02_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL1 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1539319434.pdb -s /var/tmp/to_scwrl_1539319434.seq -o /var/tmp/from_scwrl_1539319434.pdb > /var/tmp/scwrl_1539319434.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1539319434.pdb # conformation set from SCWRL output # naming current conformation SAM-T02_AL1-scwrl # ReadConformPDB reading from PDB file servers/SAM-T02_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL2 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_25075359.pdb -s /var/tmp/to_scwrl_25075359.seq -o /var/tmp/from_scwrl_25075359.pdb > /var/tmp/scwrl_25075359.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_25075359.pdb # conformation set from SCWRL output # naming current conformation SAM-T02_AL2-scwrl # ReadConformPDB reading from PDB file servers/SAM-T02_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL3 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1742603493.pdb -s /var/tmp/to_scwrl_1742603493.seq -o /var/tmp/from_scwrl_1742603493.pdb > /var/tmp/scwrl_1742603493.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1742603493.pdb # conformation set from SCWRL output # naming current conformation SAM-T02_AL3-scwrl # ReadConformPDB reading from PDB file servers/SAM-T02_AL4.pdb.gz looking for model 1 Skipped atom 310, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 312, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 314, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 316, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 362, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 364, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 366, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 368, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 382, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 384, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 386, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 388, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 390, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 392, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 394, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 396, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 666, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 668, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 670, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 672, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL4 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_851825118.pdb -s /var/tmp/to_scwrl_851825118.seq -o /var/tmp/from_scwrl_851825118.pdb > /var/tmp/scwrl_851825118.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_851825118.pdb # conformation set from SCWRL output # naming current conformation SAM-T02_AL4-scwrl # ReadConformPDB reading from PDB file servers/SAM-T02_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL5 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1572983067.pdb -s /var/tmp/to_scwrl_1572983067.seq -o /var/tmp/from_scwrl_1572983067.pdb > /var/tmp/scwrl_1572983067.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1572983067.pdb # conformation set from SCWRL output # naming current conformation SAM-T02_AL5-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL1 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1824491065.pdb -s /var/tmp/to_scwrl_1824491065.seq -o /var/tmp/from_scwrl_1824491065.pdb > /var/tmp/scwrl_1824491065.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1824491065.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL1-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL2 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1928921100.pdb -s /var/tmp/to_scwrl_1928921100.seq -o /var/tmp/from_scwrl_1928921100.pdb > /var/tmp/scwrl_1928921100.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1928921100.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL2-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL3 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1654071861.pdb -s /var/tmp/to_scwrl_1654071861.seq -o /var/tmp/from_scwrl_1654071861.pdb > /var/tmp/scwrl_1654071861.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1654071861.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL3-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL4 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_469001904.pdb -s /var/tmp/to_scwrl_469001904.seq -o /var/tmp/from_scwrl_469001904.pdb > /var/tmp/scwrl_469001904.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_469001904.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL4-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL5 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1205327577.pdb -s /var/tmp/to_scwrl_1205327577.seq -o /var/tmp/from_scwrl_1205327577.pdb > /var/tmp/scwrl_1205327577.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1205327577.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL5-scwrl # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS1.pdb.gz looking for model 1 # Found a chain break before 206 # copying to AlignedFragments data structure # naming current conformation SAM_T06_server_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1356385792.pdb -s /var/tmp/to_scwrl_1356385792.seq -o /var/tmp/from_scwrl_1356385792.pdb > /var/tmp/scwrl_1356385792.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1356385792.pdb # conformation set from SCWRL output # naming current conformation SAM_T06_server_TS1-scwrl # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1176749250.pdb -s /var/tmp/to_scwrl_1176749250.seq -o /var/tmp/from_scwrl_1176749250.pdb > /var/tmp/scwrl_1176749250.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1176749250.pdb # conformation set from SCWRL output # naming current conformation SAM_T06_server_TS2-scwrl # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1962548911.pdb -s /var/tmp/to_scwrl_1962548911.seq -o /var/tmp/from_scwrl_1962548911.pdb > /var/tmp/scwrl_1962548911.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1962548911.pdb # conformation set from SCWRL output # naming current conformation SAM_T06_server_TS3-scwrl # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1816687099.pdb -s /var/tmp/to_scwrl_1816687099.seq -o /var/tmp/from_scwrl_1816687099.pdb > /var/tmp/scwrl_1816687099.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1816687099.pdb # conformation set from SCWRL output # naming current conformation SAM_T06_server_TS4-scwrl # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_550964539.pdb -s /var/tmp/to_scwrl_550964539.seq -o /var/tmp/from_scwrl_550964539.pdb > /var/tmp/scwrl_550964539.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_550964539.pdb # conformation set from SCWRL output # naming current conformation SAM_T06_server_TS5-scwrl # ReadConformPDB reading from PDB file servers/SP3_TS1.pdb.gz looking for model 1 # Found a chain break before 197 # copying to AlignedFragments data structure # naming current conformation SP3_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1611108660.pdb -s /var/tmp/to_scwrl_1611108660.seq -o /var/tmp/from_scwrl_1611108660.pdb > /var/tmp/scwrl_1611108660.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1611108660.pdb # conformation set from SCWRL output # naming current conformation SP3_TS1-scwrl # ReadConformPDB reading from PDB file servers/SP3_TS2.pdb.gz looking for model 1 # Found a chain break before 122 # copying to AlignedFragments data structure # naming current conformation SP3_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1576329094.pdb -s /var/tmp/to_scwrl_1576329094.seq -o /var/tmp/from_scwrl_1576329094.pdb > /var/tmp/scwrl_1576329094.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1576329094.pdb # conformation set from SCWRL output # naming current conformation SP3_TS2-scwrl # ReadConformPDB reading from PDB file servers/SP3_TS3.pdb.gz looking for model 1 # Found a chain break before 204 # copying to AlignedFragments data structure # naming current conformation SP3_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1275912747.pdb -s /var/tmp/to_scwrl_1275912747.seq -o /var/tmp/from_scwrl_1275912747.pdb > /var/tmp/scwrl_1275912747.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1275912747.pdb # conformation set from SCWRL output # naming current conformation SP3_TS3-scwrl # ReadConformPDB reading from PDB file servers/SP3_TS4.pdb.gz looking for model 1 # Found a chain break before 186 # copying to AlignedFragments data structure # naming current conformation SP3_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1695252352.pdb -s /var/tmp/to_scwrl_1695252352.seq -o /var/tmp/from_scwrl_1695252352.pdb > /var/tmp/scwrl_1695252352.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1695252352.pdb # conformation set from SCWRL output # naming current conformation SP3_TS4-scwrl # ReadConformPDB reading from PDB file servers/SP3_TS5.pdb.gz looking for model 1 # Found a chain break before 184 # copying to AlignedFragments data structure # naming current conformation SP3_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_630656021.pdb -s /var/tmp/to_scwrl_630656021.seq -o /var/tmp/from_scwrl_630656021.pdb > /var/tmp/scwrl_630656021.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_630656021.pdb # conformation set from SCWRL output # naming current conformation SP3_TS5-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS1.pdb.gz looking for model 1 # Found a chain break before 197 # copying to AlignedFragments data structure # naming current conformation SP4_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_883646381.pdb -s /var/tmp/to_scwrl_883646381.seq -o /var/tmp/from_scwrl_883646381.pdb > /var/tmp/scwrl_883646381.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_883646381.pdb # conformation set from SCWRL output # naming current conformation SP4_TS1-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS2.pdb.gz looking for model 1 # Found a chain break before 171 # copying to AlignedFragments data structure # naming current conformation SP4_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1697217212.pdb -s /var/tmp/to_scwrl_1697217212.seq -o /var/tmp/from_scwrl_1697217212.pdb > /var/tmp/scwrl_1697217212.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1697217212.pdb # conformation set from SCWRL output # naming current conformation SP4_TS2-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS3.pdb.gz looking for model 1 # Found a chain break before 199 # copying to AlignedFragments data structure # naming current conformation SP4_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1489851344.pdb -s /var/tmp/to_scwrl_1489851344.seq -o /var/tmp/from_scwrl_1489851344.pdb > /var/tmp/scwrl_1489851344.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1489851344.pdb # conformation set from SCWRL output # naming current conformation SP4_TS3-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS4.pdb.gz looking for model 1 # Found a chain break before 186 # copying to AlignedFragments data structure # naming current conformation SP4_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1181958961.pdb -s /var/tmp/to_scwrl_1181958961.seq -o /var/tmp/from_scwrl_1181958961.pdb > /var/tmp/scwrl_1181958961.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1181958961.pdb # conformation set from SCWRL output # naming current conformation SP4_TS4-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS5.pdb.gz looking for model 1 # Found a chain break before 184 # copying to AlignedFragments data structure # naming current conformation SP4_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_82356561.pdb -s /var/tmp/to_scwrl_82356561.seq -o /var/tmp/from_scwrl_82356561.pdb > /var/tmp/scwrl_82356561.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_82356561.pdb # conformation set from SCWRL output # naming current conformation SP4_TS5-scwrl # ReadConformPDB reading from PDB file servers/SPARKS2_TS1.pdb.gz looking for model 1 # Found a chain break before 196 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_736522780.pdb -s /var/tmp/to_scwrl_736522780.seq -o /var/tmp/from_scwrl_736522780.pdb > /var/tmp/scwrl_736522780.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_736522780.pdb # conformation set from SCWRL output # naming current conformation SPARKS2_TS1-scwrl # ReadConformPDB reading from PDB file servers/SPARKS2_TS2.pdb.gz looking for model 1 # Found a chain break before 191 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1182565562.pdb -s /var/tmp/to_scwrl_1182565562.seq -o /var/tmp/from_scwrl_1182565562.pdb > /var/tmp/scwrl_1182565562.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1182565562.pdb # conformation set from SCWRL output # naming current conformation SPARKS2_TS2-scwrl # ReadConformPDB reading from PDB file servers/SPARKS2_TS3.pdb.gz looking for model 1 # Found a chain break before 201 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1441219046.pdb -s /var/tmp/to_scwrl_1441219046.seq -o /var/tmp/from_scwrl_1441219046.pdb > /var/tmp/scwrl_1441219046.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1441219046.pdb # conformation set from SCWRL output # naming current conformation SPARKS2_TS3-scwrl # ReadConformPDB reading from PDB file servers/SPARKS2_TS4.pdb.gz looking for model 1 # Found a chain break before 196 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1773094797.pdb -s /var/tmp/to_scwrl_1773094797.seq -o /var/tmp/from_scwrl_1773094797.pdb > /var/tmp/scwrl_1773094797.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1773094797.pdb # conformation set from SCWRL output # naming current conformation SPARKS2_TS4-scwrl # ReadConformPDB reading from PDB file servers/SPARKS2_TS5.pdb.gz looking for model 1 # Found a chain break before 186 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_2060162064.pdb -s /var/tmp/to_scwrl_2060162064.seq -o /var/tmp/from_scwrl_2060162064.pdb > /var/tmp/scwrl_2060162064.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2060162064.pdb # conformation set from SCWRL output # naming current conformation SPARKS2_TS5-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_bnmx_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_2058069555.pdb -s /var/tmp/to_scwrl_2058069555.seq -o /var/tmp/from_scwrl_2058069555.pdb > /var/tmp/scwrl_2058069555.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2058069555.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_bnmx_TS1-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_bnmx_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1164930585.pdb -s /var/tmp/to_scwrl_1164930585.seq -o /var/tmp/from_scwrl_1164930585.pdb > /var/tmp/scwrl_1164930585.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1164930585.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_bnmx_TS2-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_bnmx_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_2085237424.pdb -s /var/tmp/to_scwrl_2085237424.seq -o /var/tmp/from_scwrl_2085237424.pdb > /var/tmp/scwrl_2085237424.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2085237424.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_bnmx_TS3-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_bnmx_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1653189401.pdb -s /var/tmp/to_scwrl_1653189401.seq -o /var/tmp/from_scwrl_1653189401.pdb > /var/tmp/scwrl_1653189401.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1653189401.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_bnmx_TS4-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_bnmx_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_2016755703.pdb -s /var/tmp/to_scwrl_2016755703.seq -o /var/tmp/from_scwrl_2016755703.pdb > /var/tmp/scwrl_2016755703.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2016755703.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_bnmx_TS5-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_expm_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation UNI-EID_expm_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1510736844.pdb -s /var/tmp/to_scwrl_1510736844.seq -o /var/tmp/from_scwrl_1510736844.pdb > /var/tmp/scwrl_1510736844.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1510736844.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_expm_TS1-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL1 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1330196819.pdb -s /var/tmp/to_scwrl_1330196819.seq -o /var/tmp/from_scwrl_1330196819.pdb > /var/tmp/scwrl_1330196819.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1330196819.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_sfst_AL1-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL2 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1798193157.pdb -s /var/tmp/to_scwrl_1798193157.seq -o /var/tmp/from_scwrl_1798193157.pdb > /var/tmp/scwrl_1798193157.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1798193157.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_sfst_AL2-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL3 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1017325059.pdb -s /var/tmp/to_scwrl_1017325059.seq -o /var/tmp/from_scwrl_1017325059.pdb > /var/tmp/scwrl_1017325059.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1017325059.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_sfst_AL3-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL4 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1799198723.pdb -s /var/tmp/to_scwrl_1799198723.seq -o /var/tmp/from_scwrl_1799198723.pdb > /var/tmp/scwrl_1799198723.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1799198723.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_sfst_AL4-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL5 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_856037088.pdb -s /var/tmp/to_scwrl_856037088.seq -o /var/tmp/from_scwrl_856037088.pdb > /var/tmp/scwrl_856037088.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_856037088.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_sfst_AL5-scwrl # ReadConformPDB reading from PDB file servers/Zhang-Server_TS1.pdb.gz looking for model 1 # Found a chain break before 197 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_226227204.pdb -s /var/tmp/to_scwrl_226227204.seq -o /var/tmp/from_scwrl_226227204.pdb > /var/tmp/scwrl_226227204.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_226227204.pdb # conformation set from SCWRL output # naming current conformation Zhang-Server_TS1-scwrl # ReadConformPDB reading from PDB file servers/Zhang-Server_TS2.pdb.gz looking for model 1 # Found a chain break before 188 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_828464328.pdb -s /var/tmp/to_scwrl_828464328.seq -o /var/tmp/from_scwrl_828464328.pdb > /var/tmp/scwrl_828464328.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_828464328.pdb # conformation set from SCWRL output # naming current conformation Zhang-Server_TS2-scwrl # ReadConformPDB reading from PDB file servers/Zhang-Server_TS3.pdb.gz looking for model 1 # Found a chain break before 197 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_671102352.pdb -s /var/tmp/to_scwrl_671102352.seq -o /var/tmp/from_scwrl_671102352.pdb > /var/tmp/scwrl_671102352.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_671102352.pdb # conformation set from SCWRL output # naming current conformation Zhang-Server_TS3-scwrl # ReadConformPDB reading from PDB file servers/Zhang-Server_TS4.pdb.gz looking for model 1 # Found a chain break before 188 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_2042914304.pdb -s /var/tmp/to_scwrl_2042914304.seq -o /var/tmp/from_scwrl_2042914304.pdb > /var/tmp/scwrl_2042914304.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2042914304.pdb # conformation set from SCWRL output # naming current conformation Zhang-Server_TS4-scwrl # ReadConformPDB reading from PDB file servers/Zhang-Server_TS5.pdb.gz looking for model 1 # Found a chain break before 205 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1379428866.pdb -s /var/tmp/to_scwrl_1379428866.seq -o /var/tmp/from_scwrl_1379428866.pdb > /var/tmp/scwrl_1379428866.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1379428866.pdb # conformation set from SCWRL output # naming current conformation Zhang-Server_TS5-scwrl # ReadConformPDB reading from PDB file servers/beautshot_TS1.pdb.gz looking for model 1 # Found a chain break before 204 # copying to AlignedFragments data structure # naming current conformation beautshot_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_134727366.pdb -s /var/tmp/to_scwrl_134727366.seq -o /var/tmp/from_scwrl_134727366.pdb > /var/tmp/scwrl_134727366.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_134727366.pdb # conformation set from SCWRL output # naming current conformation beautshot_TS1-scwrl # ReadConformPDB reading from PDB file servers/beautshotbase_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation beautshotbase_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1471759751.pdb -s /var/tmp/to_scwrl_1471759751.seq -o /var/tmp/from_scwrl_1471759751.pdb > /var/tmp/scwrl_1471759751.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1471759751.pdb # conformation set from SCWRL output # naming current conformation beautshotbase_TS1-scwrl # ReadConformPDB reading from PDB file servers/forecast-s_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation forecast-s_AL1 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_507857967.pdb -s /var/tmp/to_scwrl_507857967.seq -o /var/tmp/from_scwrl_507857967.pdb > /var/tmp/scwrl_507857967.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_507857967.pdb # conformation set from SCWRL output # naming current conformation forecast-s_AL1-scwrl # ReadConformPDB reading from PDB file servers/forecast-s_AL2.pdb.gz looking for model 1 Skipped atom 766, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL2.pdb.gz Skipped atom 768, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL2.pdb.gz Skipped atom 770, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL2.pdb.gz Skipped atom 772, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL2.pdb.gz Skipped atom 774, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL2.pdb.gz Skipped atom 776, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL2.pdb.gz Skipped atom 778, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL2.pdb.gz Skipped atom 780, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL2.pdb.gz # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation forecast-s_AL2 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1829979718.pdb -s /var/tmp/to_scwrl_1829979718.seq -o /var/tmp/from_scwrl_1829979718.pdb > /var/tmp/scwrl_1829979718.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1829979718.pdb # conformation set from SCWRL output # naming current conformation forecast-s_AL2-scwrl # ReadConformPDB reading from PDB file servers/forecast-s_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation forecast-s_AL3 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_2102415772.pdb -s /var/tmp/to_scwrl_2102415772.seq -o /var/tmp/from_scwrl_2102415772.pdb > /var/tmp/scwrl_2102415772.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2102415772.pdb # conformation set from SCWRL output # naming current conformation forecast-s_AL3-scwrl # ReadConformPDB reading from PDB file servers/forecast-s_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation forecast-s_AL4 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1391504348.pdb -s /var/tmp/to_scwrl_1391504348.seq -o /var/tmp/from_scwrl_1391504348.pdb > /var/tmp/scwrl_1391504348.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1391504348.pdb # conformation set from SCWRL output # naming current conformation forecast-s_AL4-scwrl # ReadConformPDB reading from PDB file servers/forecast-s_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation forecast-s_AL5 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1379713284.pdb -s /var/tmp/to_scwrl_1379713284.seq -o /var/tmp/from_scwrl_1379713284.pdb > /var/tmp/scwrl_1379713284.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1379713284.pdb # conformation set from SCWRL output # naming current conformation forecast-s_AL5-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS1.pdb.gz looking for model 1 # Found a chain break before 199 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1444783469.pdb -s /var/tmp/to_scwrl_1444783469.seq -o /var/tmp/from_scwrl_1444783469.pdb > /var/tmp/scwrl_1444783469.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1444783469.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.2_TS1-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS2.pdb.gz looking for model 1 # Found a chain break before 196 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_425979663.pdb -s /var/tmp/to_scwrl_425979663.seq -o /var/tmp/from_scwrl_425979663.pdb > /var/tmp/scwrl_425979663.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_425979663.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.2_TS2-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS3.pdb.gz looking for model 1 # Found a chain break before 201 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1462069845.pdb -s /var/tmp/to_scwrl_1462069845.seq -o /var/tmp/from_scwrl_1462069845.pdb > /var/tmp/scwrl_1462069845.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1462069845.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.2_TS3-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS4.pdb.gz looking for model 1 # Found a chain break before 194 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_33822602.pdb -s /var/tmp/to_scwrl_33822602.seq -o /var/tmp/from_scwrl_33822602.pdb > /var/tmp/scwrl_33822602.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_33822602.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.2_TS4-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS5.pdb.gz looking for model 1 # Found a chain break before 206 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1608545225.pdb -s /var/tmp/to_scwrl_1608545225.seq -o /var/tmp/from_scwrl_1608545225.pdb > /var/tmp/scwrl_1608545225.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1608545225.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.2_TS5-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS1.pdb.gz looking for model 1 WARNING: atoms too close: (T0379)E57.O and (T0379)E58.N only 0.000 apart, marking (T0379)E58.N as missing WARNING: atoms too close: (T0379)M119.O and (T0379)S120.N only 0.000 apart, marking (T0379)S120.N as missing # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_755805245.pdb -s /var/tmp/to_scwrl_755805245.seq -o /var/tmp/from_scwrl_755805245.pdb > /var/tmp/scwrl_755805245.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_755805245.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS1-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS2.pdb.gz looking for model 1 WARNING: atoms too close: (T0379)E86.O and (T0379)I87.N only 0.000 apart, marking (T0379)I87.N as missing # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1806917400.pdb -s /var/tmp/to_scwrl_1806917400.seq -o /var/tmp/from_scwrl_1806917400.pdb > /var/tmp/scwrl_1806917400.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1806917400.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS2-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS3.pdb.gz looking for model 1 # Found a chain break before 205 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1521223643.pdb -s /var/tmp/to_scwrl_1521223643.seq -o /var/tmp/from_scwrl_1521223643.pdb > /var/tmp/scwrl_1521223643.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1521223643.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS3-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS4.pdb.gz looking for model 1 WARNING: atoms too close: (T0379)E86.O and (T0379)I87.N only 0.000 apart, marking (T0379)I87.N as missing # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_666391153.pdb -s /var/tmp/to_scwrl_666391153.seq -o /var/tmp/from_scwrl_666391153.pdb > /var/tmp/scwrl_666391153.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_666391153.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS4-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS5.pdb.gz looking for model 1 WARNING: atoms too close: (T0379)N149.O and (T0379)E150.N only 0.000 apart, marking (T0379)E150.N as missing # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_824364339.pdb -s /var/tmp/to_scwrl_824364339.seq -o /var/tmp/from_scwrl_824364339.pdb > /var/tmp/scwrl_824364339.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_824364339.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS5-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv_TS1.pdb.gz looking for model 1 # Found a chain break before 196 # copying to AlignedFragments data structure # naming current conformation karypis.srv_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1458977420.pdb -s /var/tmp/to_scwrl_1458977420.seq -o /var/tmp/from_scwrl_1458977420.pdb > /var/tmp/scwrl_1458977420.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1458977420.pdb # conformation set from SCWRL output # naming current conformation karypis.srv_TS1-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_172096908.pdb -s /var/tmp/to_scwrl_172096908.seq -o /var/tmp/from_scwrl_172096908.pdb > /var/tmp/scwrl_172096908.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_172096908.pdb # conformation set from SCWRL output # naming current conformation karypis.srv_TS3-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_693636395.pdb -s /var/tmp/to_scwrl_693636395.seq -o /var/tmp/from_scwrl_693636395.pdb > /var/tmp/scwrl_693636395.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_693636395.pdb # conformation set from SCWRL output # naming current conformation karypis.srv_TS4-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_822230618.pdb -s /var/tmp/to_scwrl_822230618.seq -o /var/tmp/from_scwrl_822230618.pdb > /var/tmp/scwrl_822230618.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_822230618.pdb # conformation set from SCWRL output # naming current conformation karypis.srv_TS5-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS1.pdb.gz looking for model 1 # naming current conformation keasar-server_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1502293727.pdb -s /var/tmp/to_scwrl_1502293727.seq -o /var/tmp/from_scwrl_1502293727.pdb > /var/tmp/scwrl_1502293727.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1502293727.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS1-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS2.pdb.gz looking for model 1 # naming current conformation keasar-server_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_344345905.pdb -s /var/tmp/to_scwrl_344345905.seq -o /var/tmp/from_scwrl_344345905.pdb > /var/tmp/scwrl_344345905.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_344345905.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS2-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS3.pdb.gz looking for model 1 # Found a chain break before 126 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1839555677.pdb -s /var/tmp/to_scwrl_1839555677.seq -o /var/tmp/from_scwrl_1839555677.pdb > /var/tmp/scwrl_1839555677.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1839555677.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS3-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS4.pdb.gz looking for model 1 # naming current conformation keasar-server_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1154008804.pdb -s /var/tmp/to_scwrl_1154008804.seq -o /var/tmp/from_scwrl_1154008804.pdb > /var/tmp/scwrl_1154008804.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1154008804.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS4-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS5.pdb.gz looking for model 1 # Found a chain break before 188 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1200382993.pdb -s /var/tmp/to_scwrl_1200382993.seq -o /var/tmp/from_scwrl_1200382993.pdb > /var/tmp/scwrl_1200382993.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1200382993.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS5-scwrl # ReadConformPDB reading from PDB file servers/mGen-3D_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation mGen-3D_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_2065782881.pdb -s /var/tmp/to_scwrl_2065782881.seq -o /var/tmp/from_scwrl_2065782881.pdb > /var/tmp/scwrl_2065782881.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2065782881.pdb # conformation set from SCWRL output # naming current conformation mGen-3D_TS1-scwrl # ReadConformPDB reading from PDB file servers/nFOLD_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation nFOLD_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1982473132.pdb -s /var/tmp/to_scwrl_1982473132.seq -o /var/tmp/from_scwrl_1982473132.pdb > /var/tmp/scwrl_1982473132.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1982473132.pdb # conformation set from SCWRL output # naming current conformation nFOLD_TS1-scwrl # ReadConformPDB reading from PDB file servers/nFOLD_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation nFOLD_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1871485345.pdb -s /var/tmp/to_scwrl_1871485345.seq -o /var/tmp/from_scwrl_1871485345.pdb > /var/tmp/scwrl_1871485345.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1871485345.pdb # conformation set from SCWRL output # naming current conformation nFOLD_TS2-scwrl # ReadConformPDB reading from PDB file servers/nFOLD_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation nFOLD_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1961213538.pdb -s /var/tmp/to_scwrl_1961213538.seq -o /var/tmp/from_scwrl_1961213538.pdb > /var/tmp/scwrl_1961213538.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1961213538.pdb # conformation set from SCWRL output # naming current conformation nFOLD_TS3-scwrl # ReadConformPDB reading from PDB file servers/nFOLD_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation nFOLD_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1214418351.pdb -s /var/tmp/to_scwrl_1214418351.seq -o /var/tmp/from_scwrl_1214418351.pdb > /var/tmp/scwrl_1214418351.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1214418351.pdb # conformation set from SCWRL output # naming current conformation nFOLD_TS4-scwrl # ReadConformPDB reading from PDB file servers/nFOLD_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation nFOLD_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_2006212711.pdb -s /var/tmp/to_scwrl_2006212711.seq -o /var/tmp/from_scwrl_2006212711.pdb > /var/tmp/scwrl_2006212711.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2006212711.pdb # conformation set from SCWRL output # naming current conformation nFOLD_TS5-scwrl # ReadConformPDB reading from PDB file servers/panther2_TS1.pdb.gz looking for model 1 WARNING: atoms too close: (T0379)E86.N and (T0379)N111.N only 0.000 apart, marking (T0379)N111.N as missing WARNING: atoms too close: (T0379)E86.CA and (T0379)N111.CA only 0.000 apart, marking (T0379)N111.CA as missing WARNING: atoms too close: (T0379)E86.CB and (T0379)N111.CB only 0.000 apart, marking (T0379)N111.CB as missing WARNING: atoms too close: (T0379)E86.CG and (T0379)N111.CG only 0.000 apart, marking (T0379)N111.CG as missing WARNING: atoms too close: (T0379)E86.O and (T0379)N111.O only 0.000 apart, marking (T0379)N111.O as missing WARNING: atoms too close: (T0379)E86.C and (T0379)N111.C only 0.000 apart, marking (T0379)N111.C as missing WARNING: atoms too close: (T0379)N111.N and (T0379)P112.N only 0.000 apart, marking (T0379)N111.N as missing WARNING: atoms too close: (T0379)E86.N and (T0379)P112.N only 0.000 apart, marking (T0379)P112.N as missing WARNING: atoms too close: (T0379)N111.CA and (T0379)P112.CA only 0.000 apart, marking (T0379)P112.CA as missing WARNING: atoms too close: (T0379)E86.CA and (T0379)P112.CA only 0.000 apart, marking (T0379)P112.CA as missing WARNING: atoms too close: (T0379)N111.CB and (T0379)P112.CB only 0.000 apart, marking (T0379)P112.CB as missing WARNING: atoms too close: (T0379)E86.CB and (T0379)P112.CB only 0.000 apart, marking (T0379)P112.CB as missing WARNING: atoms too close: (T0379)N111.O and (T0379)P112.O only 0.000 apart, marking (T0379)P112.O as missing WARNING: atoms too close: (T0379)E86.O and (T0379)P112.O only 0.000 apart, marking (T0379)P112.O as missing WARNING: atoms too close: (T0379)N111.C and (T0379)P112.C only 0.000 apart, marking (T0379)P112.C as missing WARNING: atoms too close: (T0379)E86.C and (T0379)P112.C only 0.000 apart, marking (T0379)P112.C as missing # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation panther2_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1285489642.pdb -s /var/tmp/to_scwrl_1285489642.seq -o /var/tmp/from_scwrl_1285489642.pdb > /var/tmp/scwrl_1285489642.log Error: Couldn't open file /var/tmp/from_scwrl_1285489642.pdb or /var/tmp/from_scwrl_1285489642.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1285489642_b.pdb or decoys//var/tmp/from_scwrl_1285489642_b.pdb.gz for input Trying /var/tmp/from_scwrl_1285489642_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1285489642_b.pdb or /var/tmp/from_scwrl_1285489642_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1285489642_a.pdb or decoys//var/tmp/from_scwrl_1285489642_a.pdb.gz for input Trying /var/tmp/from_scwrl_1285489642_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1285489642_a.pdb or /var/tmp/from_scwrl_1285489642_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1285489642.pdb or /var/tmp/from_scwrl_1285489642_b.pdb or /var/tmp/from_scwrl_1285489642_a.pdb Error: no new SCWRL conformation added # naming current conformation panther2_TS1-scwrl # ReadConformPDB reading from PDB file servers/shub_TS1.pdb.gz looking for model 1 # Found a chain break before 205 # copying to AlignedFragments data structure # naming current conformation shub_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl -i /var/tmp/to_scwrl_1722276318.pdb -s /var/tmp/to_scwrl_1722276318.seq -o /var/tmp/from_scwrl_1722276318.pdb > /var/tmp/scwrl_1722276318.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1722276318.pdb # conformation set from SCWRL output # naming current conformation shub_TS1-scwrl # command:CPU_time= 139.866 sec, elapsed time= 550.78 sec) # command:# Prefix for output files set to decoys/ # command:# Will now start reporting costs to decoys/evaluate_1.rdb # command:# CostConform Warning: Couldn't open file decoys//projects/compbio/experiments/undertaker/spots/near-backbone-center.spot or decoys//projects/compbio/experiments/undertaker/spots/near-backbone-center.spot.gz for input Trying /projects/compbio/experiments/undertaker/spots/near-backbone-center.spot # Reading spots from /projects/compbio/experiments/undertaker/spots/near-backbone-center.spot shub_TS1-scwrl costs 0 real_cost = -103.572 shub_TS1 costs 0 real_cost = -79.806 panther2_TS1-scwrl costs 0 real_cost = -98.398 nFOLD_TS5-scwrl costs 0 real_cost = 61.2866 nFOLD_TS5 costs 0 real_cost = 156.332 nFOLD_TS4-scwrl costs 0 real_cost = 30.7675 nFOLD_TS4 costs 0 real_cost = 137.138 nFOLD_TS3-scwrl costs 0 real_cost = 51.9923 nFOLD_TS3 costs 0 real_cost = 160.794 nFOLD_TS2-scwrl costs 0 real_cost = 4.4392 nFOLD_TS2 costs 0 real_cost = 116.43 nFOLD_TS1-scwrl costs 0 real_cost = -97.7235 nFOLD_TS1 costs 0 real_cost = 24.4217 mGen-3D_TS1-scwrl costs 0 real_cost = -110.328 mGen-3D_TS1 costs 0 real_cost = 16.2837 keasar-server_TS5-scwrl costs 0 real_cost = -9.54147 keasar-server_TS5 costs 0 real_cost = 8.34917 keasar-server_TS4-scwrl costs 0 real_cost = -59.7514 keasar-server_TS4 costs 0 real_cost = -45.8876 keasar-server_TS3-scwrl costs 0 real_cost = -48.6232 keasar-server_TS3 costs 0 real_cost = -40.8693 keasar-server_TS2-scwrl costs 0 real_cost = -97.0614 keasar-server_TS2 costs 0 real_cost = -92.0595 keasar-server_TS1-scwrl costs 0 real_cost = -53.2471 keasar-server_TS1 costs 0 real_cost = -45.1637 karypis.srv_TS5-scwrl costs 0 real_cost = 3.65318 karypis.srv_TS5 costs 0 real_cost = 6.04814 karypis.srv_TS4-scwrl costs 0 real_cost = -39.1846 karypis.srv_TS4 costs 0 real_cost = -37.9321 karypis.srv_TS3-scwrl costs 0 real_cost = -68.8483 karypis.srv_TS3 costs 0 real_cost = -64.2703 karypis.srv_TS1-scwrl costs 0 real_cost = -62.9659 karypis.srv_TS1 costs 0 real_cost = -63.5971 karypis.srv.4_TS5-scwrl costs 0 real_cost = 323.537 karypis.srv.4_TS5 costs 0 real_cost = 323.829 karypis.srv.4_TS4-scwrl costs 0 real_cost = 283.831 karypis.srv.4_TS4 costs 0 real_cost = 284.862 karypis.srv.4_TS3-scwrl costs 0 real_cost = 323.352 karypis.srv.4_TS3 costs 0 real_cost = 323.353 karypis.srv.4_TS2-scwrl costs 0 real_cost = 256.091 karypis.srv.4_TS2 costs 0 real_cost = 255.924 karypis.srv.4_TS1-scwrl costs 0 real_cost = 257.644 karypis.srv.4_TS1 costs 0 real_cost = 258.274 karypis.srv.2_TS5-scwrl costs 0 real_cost = -39.2682 karypis.srv.2_TS5 costs 0 real_cost = -38.4867 karypis.srv.2_TS4-scwrl costs 0 real_cost = -84.0191 karypis.srv.2_TS4 costs 0 real_cost = -84.3433 karypis.srv.2_TS3-scwrl costs 0 real_cost = -57.0387 karypis.srv.2_TS3 costs 0 real_cost = -60.0477 karypis.srv.2_TS2-scwrl costs 0 real_cost = -30.3588 karypis.srv.2_TS2 costs 0 real_cost = -29.3528 karypis.srv.2_TS1-scwrl costs 0 real_cost = -92.587 karypis.srv.2_TS1 costs 0 real_cost = -93.1268 forecast-s_AL5-scwrl costs 0 real_cost = -25.7636 forecast-s_AL5 costs 0 real_cost = 116.03 forecast-s_AL4-scwrl costs 0 real_cost = -137.115 forecast-s_AL4 costs 0 real_cost = 32.1882 forecast-s_AL3-scwrl costs 0 real_cost = -5.50254 forecast-s_AL3 costs 0 real_cost = 149.154 forecast-s_AL2-scwrl costs 0 real_cost = -23.8806 forecast-s_AL2 costs 0 real_cost = 127.264 forecast-s_AL1-scwrl costs 0 real_cost = -45.0931 forecast-s_AL1 costs 0 real_cost = 94.5538 beautshotbase_TS1-scwrl costs 0 real_cost = -113.14 beautshotbase_TS1 costs 0 real_cost = -105.224 beautshot_TS1-scwrl costs 0 real_cost = -133.853 beautshot_TS1 costs 0 real_cost = -130.503 Zhang-Server_TS5-scwrl costs 0 real_cost = -125.711 Zhang-Server_TS5 costs 0 real_cost = -126.987 Zhang-Server_TS4-scwrl costs 0 real_cost = -132.527 Zhang-Server_TS4 costs 0 real_cost = -135.178 Zhang-Server_TS3-scwrl costs 0 real_cost = -140.085 Zhang-Server_TS3 costs 0 real_cost = -138.738 Zhang-Server_TS2-scwrl costs 0 real_cost = -139.383 Zhang-Server_TS2 costs 0 real_cost = -138.903 Zhang-Server_TS1-scwrl costs 0 real_cost = -130.635 Zhang-Server_TS1 costs 0 real_cost = -130.642 UNI-EID_sfst_AL5-scwrl costs 0 real_cost = -20.8751 UNI-EID_sfst_AL5 costs 0 real_cost = 110.25 UNI-EID_sfst_AL4-scwrl costs 0 real_cost = -2.83658 UNI-EID_sfst_AL4 costs 0 real_cost = 131.581 UNI-EID_sfst_AL3-scwrl costs 0 real_cost = -64.8509 UNI-EID_sfst_AL3 costs 0 real_cost = 76.4616 UNI-EID_sfst_AL2-scwrl costs 0 real_cost = -0.418237 UNI-EID_sfst_AL2 costs 0 real_cost = 134.858 UNI-EID_sfst_AL1-scwrl costs 0 real_cost = -119.251 UNI-EID_sfst_AL1 costs 0 real_cost = 41.2144 UNI-EID_expm_TS1-scwrl costs 0 real_cost = 7.82169 UNI-EID_expm_TS1 costs 0 real_cost = 7.82056 UNI-EID_bnmx_TS5-scwrl costs 0 real_cost = -52.5737 UNI-EID_bnmx_TS5 costs 0 real_cost = 88.5788 UNI-EID_bnmx_TS4-scwrl costs 0 real_cost = 8.39925 UNI-EID_bnmx_TS4 costs 0 real_cost = 150.678 UNI-EID_bnmx_TS3-scwrl costs 0 real_cost = -69.1937 UNI-EID_bnmx_TS3 costs 0 real_cost = 76.4249 UNI-EID_bnmx_TS2-scwrl costs 0 real_cost = 8.81003 UNI-EID_bnmx_TS2 costs 0 real_cost = 150.57 UNI-EID_bnmx_TS1-scwrl costs 0 real_cost = -119.251 UNI-EID_bnmx_TS1 costs 0 real_cost = 41.2144 SPARKS2_TS5-scwrl costs 0 real_cost = -38.2921 SPARKS2_TS5 costs 0 real_cost = -27.6886 SPARKS2_TS4-scwrl costs 0 real_cost = -1.06029 SPARKS2_TS4 costs 0 real_cost = -3.72526 SPARKS2_TS3-scwrl costs 0 real_cost = -80.4746 SPARKS2_TS3 costs 0 real_cost = -72.0894 SPARKS2_TS2-scwrl costs 0 real_cost = -108.128 SPARKS2_TS2 costs 0 real_cost = -103.338 SPARKS2_TS1-scwrl costs 0 real_cost = -113.332 SPARKS2_TS1 costs 0 real_cost = -110.118 SP4_TS5-scwrl costs 0 real_cost = -22.8797 SP4_TS5 costs 0 real_cost = -16.1347 SP4_TS4-scwrl costs 0 real_cost = -52.0199 SP4_TS4 costs 0 real_cost = -52.949 SP4_TS3-scwrl costs 0 real_cost = -85.2381 SP4_TS3 costs 0 real_cost = -77.3709 SP4_TS2-scwrl costs 0 real_cost = -115.337 SP4_TS2 costs 0 real_cost = -114.354 SP4_TS1-scwrl costs 0 real_cost = -124.773 SP4_TS1 costs 0 real_cost = -120.888 SP3_TS5-scwrl costs 0 real_cost = 2.19576 SP3_TS5 costs 0 real_cost = 3.19976 SP3_TS4-scwrl costs 0 real_cost = -52.0199 SP3_TS4 costs 0 real_cost = -52.949 SP3_TS3-scwrl costs 0 real_cost = -67.6259 SP3_TS3 costs 0 real_cost = -54.2269 SP3_TS2-scwrl costs 0 real_cost = -116.936 SP3_TS2 costs 0 real_cost = -109.765 SP3_TS1-scwrl costs 0 real_cost = -117.32 SP3_TS1 costs 0 real_cost = -115.153 SAM_T06_server_TS5-scwrl costs 0 real_cost = -42.2085 SAM_T06_server_TS5 costs 0 real_cost = -63.3061 SAM_T06_server_TS4-scwrl costs 0 real_cost = -27.2467 SAM_T06_server_TS4 costs 0 real_cost = -67.9183 SAM_T06_server_TS3-scwrl costs 0 real_cost = 64.274 SAM_T06_server_TS3 costs 0 real_cost = 20.1039 SAM_T06_server_TS2-scwrl costs 0 real_cost = 97.363 SAM_T06_server_TS2 costs 0 real_cost = 46.5339 SAM_T06_server_TS1-scwrl costs 0 real_cost = -145.609 SAM_T06_server_TS1 costs 0 real_cost = -146.503 SAM-T99_AL5-scwrl costs 0 real_cost = -49.7483 SAM-T99_AL5 costs 0 real_cost = 81.4949 SAM-T99_AL4-scwrl costs 0 real_cost = -34.1888 SAM-T99_AL4 costs 0 real_cost = 93.5707 SAM-T99_AL3-scwrl costs 0 real_cost = -65.8043 SAM-T99_AL3 costs 0 real_cost = 75.6273 SAM-T99_AL2-scwrl costs 0 real_cost = -29.7804 SAM-T99_AL2 costs 0 real_cost = 107.284 SAM-T99_AL1-scwrl costs 0 real_cost = -37.6372 SAM-T99_AL1 costs 0 real_cost = 107.053 SAM-T02_AL5-scwrl costs 0 real_cost = -128.101 SAM-T02_AL5 costs 0 real_cost = 28.2199 SAM-T02_AL4-scwrl costs 0 real_cost = 10.9307 SAM-T02_AL4 costs 0 real_cost = 133.975 SAM-T02_AL3-scwrl costs 0 real_cost = -24.7646 SAM-T02_AL3 costs 0 real_cost = 114.885 SAM-T02_AL2-scwrl costs 0 real_cost = -37.1054 SAM-T02_AL2 costs 0 real_cost = 107.9 SAM-T02_AL1-scwrl costs 0 real_cost = -83.454 SAM-T02_AL1 costs 0 real_cost = 60.7659 ROKKY_TS5-scwrl costs 0 real_cost = -61.2343 ROKKY_TS5 costs 0 real_cost = -41.0396 ROKKY_TS4-scwrl costs 0 real_cost = 6.6459 ROKKY_TS4 costs 0 real_cost = 3.50029 ROKKY_TS3-scwrl costs 0 real_cost = -60.6827 ROKKY_TS3 costs 0 real_cost = -51.6471 ROKKY_TS2-scwrl costs 0 real_cost = -34.2141 ROKKY_TS2 costs 0 real_cost = -30.825 ROKKY_TS1-scwrl costs 0 real_cost = -105.114 ROKKY_TS1 costs 0 real_cost = -100.546 ROBETTA_TS5-scwrl costs 0 real_cost = -120.265 ROBETTA_TS5 costs 0 real_cost = -116.277 ROBETTA_TS4-scwrl costs 0 real_cost = -155.23 ROBETTA_TS4 costs 0 real_cost = -149.556 ROBETTA_TS3-scwrl costs 0 real_cost = -158.486 ROBETTA_TS3 costs 0 real_cost = -155.158 ROBETTA_TS2-scwrl costs 0 real_cost = -118.445 ROBETTA_TS2 costs 0 real_cost = -114.09 ROBETTA_TS1-scwrl costs 0 real_cost = -136.128 ROBETTA_TS1 costs 0 real_cost = -135.623 RAPTOR_TS5-scwrl costs 0 real_cost = -8.77016 RAPTOR_TS5 costs 0 real_cost = -9.76829 RAPTOR_TS4-scwrl costs 0 real_cost = -108.786 RAPTOR_TS4 costs 0 real_cost = -110.423 RAPTOR_TS3-scwrl costs 0 real_cost = -118.471 RAPTOR_TS3 costs 0 real_cost = -112.464 RAPTOR_TS2-scwrl costs 0 real_cost = -26.3306 RAPTOR_TS2 costs 0 real_cost = -23.6955 RAPTOR_TS1-scwrl costs 0 real_cost = -68.2012 RAPTOR_TS1 costs 0 real_cost = -62.5848 RAPTORESS_TS5-scwrl costs 0 real_cost = -13.3393 RAPTORESS_TS5 costs 0 real_cost = -7.10823 RAPTORESS_TS4-scwrl costs 0 real_cost = -89.1209 RAPTORESS_TS4 costs 0 real_cost = -81.9389 RAPTORESS_TS3-scwrl costs 0 real_cost = -87.8186 RAPTORESS_TS3 costs 0 real_cost = -79.101 RAPTORESS_TS2-scwrl costs 0 real_cost = -26.5631 RAPTORESS_TS2 costs 0 real_cost = -12.9474 RAPTORESS_TS1-scwrl costs 0 real_cost = -35.1765 RAPTORESS_TS1 costs 0 real_cost = -29.4994 RAPTOR-ACE_TS5-scwrl costs 0 real_cost = -20.4661 RAPTOR-ACE_TS5 costs 0 real_cost = -17.1151 RAPTOR-ACE_TS4-scwrl costs 0 real_cost = -107.628 RAPTOR-ACE_TS4 costs 0 real_cost = -106.687 RAPTOR-ACE_TS3-scwrl costs 0 real_cost = -112.079 RAPTOR-ACE_TS3 costs 0 real_cost = -108.101 RAPTOR-ACE_TS2-scwrl costs 0 real_cost = -106.544 RAPTOR-ACE_TS2 costs 0 real_cost = -97.349 RAPTOR-ACE_TS1-scwrl costs 0 real_cost = -109.879 RAPTOR-ACE_TS1 costs 0 real_cost = -90.4592 Pmodeller6_TS5-scwrl costs 0 real_cost = -22.7544 Pmodeller6_TS5 costs 0 real_cost = -19.9595 Pmodeller6_TS4-scwrl costs 0 real_cost = -131.119 Pmodeller6_TS4 costs 0 real_cost = -139.753 Pmodeller6_TS3-scwrl costs 0 real_cost = -140.329 Pmodeller6_TS3 costs 0 real_cost = -141.226 Pmodeller6_TS2-scwrl costs 0 real_cost = -120.265 Pmodeller6_TS2 costs 0 real_cost = -116.277 Pmodeller6_TS1-scwrl costs 0 real_cost = -155.23 Pmodeller6_TS1 costs 0 real_cost = -149.556 Phyre-2_TS5-scwrl costs 0 real_cost = -58.0864 Phyre-2_TS5 costs 0 real_cost = -51.5346 Phyre-2_TS4-scwrl costs 0 real_cost = -80.9061 Phyre-2_TS4 costs 0 real_cost = -79.9726 Phyre-2_TS3-scwrl costs 0 real_cost = -103.965 Phyre-2_TS3 costs 0 real_cost = -107.358 Phyre-2_TS2-scwrl costs 0 real_cost = -106.148 Phyre-2_TS2 costs 0 real_cost = -106.259 Phyre-2_TS1-scwrl costs 0 real_cost = -135.468 Phyre-2_TS1 costs 0 real_cost = -133.114 Phyre-1_TS1-scwrl costs 0 real_cost = -110.291 Phyre-1_TS1 costs 0 real_cost = -125.879 Pcons6_TS5-scwrl costs 0 real_cost = -12.4644 Pcons6_TS5 costs 0 real_cost = -30.019 Pcons6_TS4-scwrl costs 0 real_cost = -120.046 Pcons6_TS4 costs 0 real_cost = -122.918 Pcons6_TS3-scwrl costs 0 real_cost = -103.071 Pcons6_TS3 costs 0 real_cost = -117.356 Pcons6_TS2-scwrl costs 0 real_cost = -136.033 Pcons6_TS2 costs 0 real_cost = -134.343 Pcons6_TS1-scwrl costs 0 real_cost = -131.497 Pcons6_TS1 costs 0 real_cost = -134.636 PROTINFO_TS5-scwrl costs 0 real_cost = -159.029 PROTINFO_TS5 costs 0 real_cost = -155.182 PROTINFO_TS4-scwrl costs 0 real_cost = -72.1611 PROTINFO_TS4 costs 0 real_cost = -68.651 PROTINFO_TS3-scwrl costs 0 real_cost = -58.9742 PROTINFO_TS3 costs 0 real_cost = -53.1382 PROTINFO_TS2-scwrl costs 0 real_cost = -94.3575 PROTINFO_TS2 costs 0 real_cost = -91.3005 PROTINFO_TS1-scwrl costs 0 real_cost = -67.9268 PROTINFO_TS1 costs 0 real_cost = -67.9163 PROTINFO-AB_TS5-scwrl costs 0 real_cost = -72.1611 PROTINFO-AB_TS5 costs 0 real_cost = -68.651 PROTINFO-AB_TS4-scwrl costs 0 real_cost = -71.8903 PROTINFO-AB_TS4 costs 0 real_cost = -67.6839 PROTINFO-AB_TS3-scwrl costs 0 real_cost = -69.3401 PROTINFO-AB_TS3 costs 0 real_cost = -73.6669 PROTINFO-AB_TS2-scwrl costs 0 real_cost = -70.0232 PROTINFO-AB_TS2 costs 0 real_cost = -69.2993 PROTINFO-AB_TS1-scwrl costs 0 real_cost = -68.7728 PROTINFO-AB_TS1 costs 0 real_cost = -67.3152 NN_PUT_lab_TS1-scwrl costs 0 real_cost = -74.3898 NN_PUT_lab_TS1 costs 0 real_cost = -78.4224 MetaTasser_TS5-scwrl costs 0 real_cost = -26.3992 MetaTasser_TS5 costs 0 real_cost = -18.4145 MetaTasser_TS4-scwrl costs 0 real_cost = -37.32 MetaTasser_TS4 costs 0 real_cost = -29.207 MetaTasser_TS3-scwrl costs 0 real_cost = -67.484 MetaTasser_TS3 costs 0 real_cost = -67.3949 MetaTasser_TS2-scwrl costs 0 real_cost = -134.608 MetaTasser_TS2 costs 0 real_cost = -132.942 MetaTasser_TS1-scwrl costs 0 real_cost = -114.999 MetaTasser_TS1 costs 0 real_cost = -111.554 Ma-OPUS-server_TS5-scwrl costs 0 real_cost = -7.55826 Ma-OPUS-server_TS5 costs 0 real_cost = -8.95161 Ma-OPUS-server_TS4-scwrl costs 0 real_cost = -26.0374 Ma-OPUS-server_TS4 costs 0 real_cost = -22.6226 Ma-OPUS-server_TS3-scwrl costs 0 real_cost = -84.2298 Ma-OPUS-server_TS3 costs 0 real_cost = -80.7801 Ma-OPUS-server_TS2-scwrl costs 0 real_cost = -76.1307 Ma-OPUS-server_TS2 costs 0 real_cost = -73.3353 Ma-OPUS-server_TS1-scwrl costs 0 real_cost = -99.5812 Ma-OPUS-server_TS1 costs 0 real_cost = -97.3418 Ma-OPUS-server2_TS5-scwrl costs 0 real_cost = -87.9664 Ma-OPUS-server2_TS5 costs 0 real_cost = -71.0616 Ma-OPUS-server2_TS4-scwrl costs 0 real_cost = -144.499 Ma-OPUS-server2_TS4 costs 0 real_cost = -143.037 Ma-OPUS-server2_TS3-scwrl costs 0 real_cost = -76.1307 Ma-OPUS-server2_TS3 costs 0 real_cost = -73.3353 Ma-OPUS-server2_TS2-scwrl costs 0 real_cost = -140.94 Ma-OPUS-server2_TS2 costs 0 real_cost = -136.32 Ma-OPUS-server2_TS1-scwrl costs 0 real_cost = -101.611 Ma-OPUS-server2_TS1 costs 0 real_cost = -85.963 MIG_FROST_AL1-scwrl costs 0 real_cost = 565.238 MIG_FROST_AL1 costs 0 real_cost = 505.498 LOOPP_TS5-scwrl costs 0 real_cost = -30.5647 LOOPP_TS5 costs 0 real_cost = -30.2922 LOOPP_TS4-scwrl costs 0 real_cost = -19.9171 LOOPP_TS4 costs 0 real_cost = -10.1363 LOOPP_TS3-scwrl costs 0 real_cost = -3.16003 LOOPP_TS3 costs 0 real_cost = -6.45566 LOOPP_TS2-scwrl costs 0 real_cost = -61.134 LOOPP_TS2 costs 0 real_cost = -68.1937 LOOPP_TS1-scwrl costs 0 real_cost = -74.3898 LOOPP_TS1 costs 0 real_cost = -78.4224 Huber-Torda-Server_TS5-scwrl costs 0 real_cost = -54.2638 Huber-Torda-Server_TS5 costs 0 real_cost = 41.5513 Huber-Torda-Server_TS4-scwrl costs 0 real_cost = 58.1799 Huber-Torda-Server_TS4 costs 0 real_cost = 135.324 Huber-Torda-Server_TS3-scwrl costs 0 real_cost = 73.5082 Huber-Torda-Server_TS3 costs 0 real_cost = 143.822 Huber-Torda-Server_TS2-scwrl costs 0 real_cost = 92.666 Huber-Torda-Server_TS2 costs 0 real_cost = 182.758 Huber-Torda-Server_TS1-scwrl costs 0 real_cost = -28.3457 Huber-Torda-Server_TS1 costs 0 real_cost = 74.3458 HHpred3_TS1-scwrl costs 0 real_cost = -120.804 HHpred3_TS1 costs 0 real_cost = -107.777 HHpred2_TS1-scwrl costs 0 real_cost = -138.352 HHpred2_TS1 costs 0 real_cost = -128.952 HHpred1_TS1-scwrl costs 0 real_cost = -103.809 HHpred1_TS1 costs 0 real_cost = -110.394 GeneSilicoMetaServer_TS5-scwrl costs 0 real_cost = -91.1681 GeneSilicoMetaServer_TS5 costs 0 real_cost = -88.9121 GeneSilicoMetaServer_TS4-scwrl costs 0 real_cost = -94.9359 GeneSilicoMetaServer_TS4 costs 0 real_cost = -95.6681 GeneSilicoMetaServer_TS2-scwrl costs 0 real_cost = -115.842 GeneSilicoMetaServer_TS2 costs 0 real_cost = -102.397 GeneSilicoMetaServer_TS1-scwrl costs 0 real_cost = -97.363 GeneSilicoMetaServer_TS1 costs 0 real_cost = -91.5395 Frankenstein_TS5-scwrl costs 0 real_cost = 176.479 Frankenstein_TS5 costs 0 real_cost = 166.04 Frankenstein_TS4-scwrl costs 0 real_cost = 178.013 Frankenstein_TS4 costs 0 real_cost = 172.174 Frankenstein_TS3-scwrl costs 0 real_cost = 321.067 Frankenstein_TS3 costs 0 real_cost = 326.255 Frankenstein_TS2-scwrl costs 0 real_cost = 345.4 Frankenstein_TS2 costs 0 real_cost = 350.464 Frankenstein_TS1-scwrl costs 0 real_cost = 69.9512 Frankenstein_TS1 costs 0 real_cost = 72.7569 FUNCTION_TS5-scwrl costs 0 real_cost = -81.4606 FUNCTION_TS5 costs 0 real_cost = -73.6812 FUNCTION_TS4-scwrl costs 0 real_cost = -73.9236 FUNCTION_TS4 costs 0 real_cost = -89.2306 FUNCTION_TS3-scwrl costs 0 real_cost = -81.5687 FUNCTION_TS3 costs 0 real_cost = -82.0308 FUNCTION_TS2-scwrl costs 0 real_cost = -64.3361 FUNCTION_TS2 costs 0 real_cost = -65.789 FUNCTION_TS1-scwrl costs 0 real_cost = -84.1661 FUNCTION_TS1 costs 0 real_cost = -85.0146 FUGUE_AL5-scwrl costs 0 real_cost = 57.1893 FUGUE_AL5 costs 0 real_cost = 186.107 FUGUE_AL4-scwrl costs 0 real_cost = 28.7746 FUGUE_AL4 costs 0 real_cost = 154.589 FUGUE_AL3-scwrl costs 0 real_cost = -61.0044 FUGUE_AL3 costs 0 real_cost = 80.8577 FUGUE_AL2-scwrl costs 0 real_cost = 24.3031 FUGUE_AL2 costs 0 real_cost = 178.281 FUGUE_AL1-scwrl costs 0 real_cost = -109.527 FUGUE_AL1 costs 0 real_cost = 49.6781 FUGMOD_TS5-scwrl costs 0 real_cost = 33.436 FUGMOD_TS5 costs 0 real_cost = 34.2039 FUGMOD_TS4-scwrl costs 0 real_cost = -25.0655 FUGMOD_TS4 costs 0 real_cost = -21.3617 FUGMOD_TS3-scwrl costs 0 real_cost = -49.2847 FUGMOD_TS3 costs 0 real_cost = -39.5799 FUGMOD_TS2-scwrl costs 0 real_cost = 17.5582 FUGMOD_TS2 costs 0 real_cost = 26.1095 FUGMOD_TS1-scwrl costs 0 real_cost = -130.31 FUGMOD_TS1 costs 0 real_cost = -126.878 FPSOLVER-SERVER_TS5-scwrl costs 0 real_cost = 293.163 FPSOLVER-SERVER_TS5 costs 0 real_cost = 308.654 FPSOLVER-SERVER_TS4-scwrl costs 0 real_cost = 264.239 FPSOLVER-SERVER_TS4 costs 0 real_cost = 270.603 FPSOLVER-SERVER_TS3-scwrl costs 0 real_cost = 309.178 FPSOLVER-SERVER_TS3 costs 0 real_cost = 315.641 FPSOLVER-SERVER_TS2-scwrl costs 0 real_cost = 346.416 FPSOLVER-SERVER_TS2 costs 0 real_cost = 344.684 FPSOLVER-SERVER_TS1-scwrl costs 0 real_cost = 351.785 FPSOLVER-SERVER_TS1 costs 0 real_cost = 343.024 FORTE2_AL5-scwrl costs 0 real_cost = 75.2251 FORTE2_AL5 costs 0 real_cost = 210.477 FORTE2_AL4-scwrl costs 0 real_cost = 231.748 FORTE2_AL4 costs 0 real_cost = 400.021 FORTE2_AL3-scwrl costs 0 real_cost = -11.8009 FORTE2_AL3 costs 0 real_cost = 132.243 FORTE2_AL2-scwrl costs 0 real_cost = -30.2704 FORTE2_AL2 costs 0 real_cost = 122.592 FORTE2_AL1-scwrl costs 0 real_cost = 57.541 FORTE2_AL1 costs 0 real_cost = 197.888 FORTE1_AL5-scwrl costs 0 real_cost = -11.8009 FORTE1_AL5 costs 0 real_cost = 132.243 FORTE1_AL4-scwrl costs 0 real_cost = 231.748 FORTE1_AL4 costs 0 real_cost = 400.021 FORTE1_AL3-scwrl costs 0 real_cost = 23.6389 FORTE1_AL3 costs 0 real_cost = 180.895 FORTE1_AL2-scwrl costs 0 real_cost = 57.541 FORTE1_AL2 costs 0 real_cost = 197.888 FORTE1_AL1-scwrl costs 0 real_cost = -30.2704 FORTE1_AL1 costs 0 real_cost = 122.592 FOLDpro_TS5-scwrl costs 0 real_cost = -58.64 FOLDpro_TS5 costs 0 real_cost = -60.3309 FOLDpro_TS4-scwrl costs 0 real_cost = -62.3114 FOLDpro_TS4 costs 0 real_cost = -62.8153 FOLDpro_TS3-scwrl costs 0 real_cost = -73.5668 FOLDpro_TS3 costs 0 real_cost = -74.5261 FOLDpro_TS2-scwrl costs 0 real_cost = -105.392 FOLDpro_TS2 costs 0 real_cost = -87.9529 FOLDpro_TS1-scwrl costs 0 real_cost = -114.422 FOLDpro_TS1 costs 0 real_cost = -110.537 FAMS_TS5-scwrl costs 0 real_cost = -94.0931 FAMS_TS5 costs 0 real_cost = -93.8469 FAMS_TS4-scwrl costs 0 real_cost = -105.941 FAMS_TS4 costs 0 real_cost = -102.883 FAMS_TS3-scwrl costs 0 real_cost = -3.29932 FAMS_TS3 costs 0 real_cost = -0.0361629 FAMS_TS2-scwrl costs 0 real_cost = -103.608 FAMS_TS2 costs 0 real_cost = -104.154 FAMS_TS1-scwrl costs 0 real_cost = -110.466 FAMS_TS1 costs 0 real_cost = -113.681 FAMSD_TS5-scwrl costs 0 real_cost = -83.8412 FAMSD_TS5 costs 0 real_cost = -76.5063 FAMSD_TS4-scwrl costs 0 real_cost = -65.2531 FAMSD_TS4 costs 0 real_cost = -72.1278 FAMSD_TS3-scwrl costs 0 real_cost = -115.05 FAMSD_TS3 costs 0 real_cost = -113.686 FAMSD_TS2-scwrl costs 0 real_cost = -106.151 FAMSD_TS2 costs 0 real_cost = -116.642 FAMSD_TS1-scwrl costs 0 real_cost = -111.796 FAMSD_TS1 costs 0 real_cost = -110.521 Distill_TS5-scwrl costs 0 real_cost = 378.989 Distill_TS4-scwrl costs 0 real_cost = 384.708 Distill_TS3-scwrl costs 0 real_cost = 380.429 Distill_TS2-scwrl costs 0 real_cost = 378.036 Distill_TS1-scwrl costs 0 real_cost = 366.459 CaspIta-FOX_TS5-scwrl costs 0 real_cost = -64.806 CaspIta-FOX_TS5 costs 0 real_cost = -58.7234 CaspIta-FOX_TS4-scwrl costs 0 real_cost = 0.00778979 CaspIta-FOX_TS4 costs 0 real_cost = 1.42501 CaspIta-FOX_TS3-scwrl costs 0 real_cost = 50.8613 CaspIta-FOX_TS3 costs 0 real_cost = 49.1863 CaspIta-FOX_TS2-scwrl costs 0 real_cost = -3.19666 CaspIta-FOX_TS2 costs 0 real_cost = -3.48608 CaspIta-FOX_TS1-scwrl costs 0 real_cost = -113.579 CaspIta-FOX_TS1 costs 0 real_cost = -119.128 CPHmodels_TS1-scwrl costs 0 real_cost = 4.43605 CPHmodels_TS1 costs 0 real_cost = -6.15509 CIRCLE_TS5-scwrl costs 0 real_cost = -3.29932 CIRCLE_TS5 costs 0 real_cost = -0.0361629 CIRCLE_TS4-scwrl costs 0 real_cost = -103.608 CIRCLE_TS4 costs 0 real_cost = -104.154 CIRCLE_TS3-scwrl costs 0 real_cost = -94.0931 CIRCLE_TS3 costs 0 real_cost = -93.8469 CIRCLE_TS2-scwrl costs 0 real_cost = -98.5419 CIRCLE_TS2 costs 0 real_cost = -106.633 CIRCLE_TS1-scwrl costs 0 real_cost = -105.941 CIRCLE_TS1 costs 0 real_cost = -102.883 Bilab-ENABLE_TS5-scwrl costs 0 real_cost = -43.3221 Bilab-ENABLE_TS5 costs 0 real_cost = -40.9993 Bilab-ENABLE_TS4-scwrl costs 0 real_cost = -47.4537 Bilab-ENABLE_TS4 costs 0 real_cost = -52.5357 Bilab-ENABLE_TS3-scwrl costs 0 real_cost = -35.0769 Bilab-ENABLE_TS3 costs 0 real_cost = -34.9133 Bilab-ENABLE_TS2-scwrl costs 0 real_cost = 5.71386 Bilab-ENABLE_TS2 costs 0 real_cost = 5.8503 Bilab-ENABLE_TS1-scwrl costs 0 real_cost = -97.7015 Bilab-ENABLE_TS1 costs 0 real_cost = -94.6888 BayesHH_TS1-scwrl costs 0 real_cost = -116.727 BayesHH_TS1 costs 0 real_cost = -107.519 ABIpro_TS5-scwrl costs 0 real_cost = 255.244 ABIpro_TS5 costs 0 real_cost = 256.494 ABIpro_TS4-scwrl costs 0 real_cost = 194.914 ABIpro_TS4 costs 0 real_cost = 193.161 ABIpro_TS3-scwrl costs 0 real_cost = 233.216 ABIpro_TS3 costs 0 real_cost = 233.241 ABIpro_TS2-scwrl costs 0 real_cost = 214.552 ABIpro_TS2 costs 0 real_cost = 210.76 ABIpro_TS1-scwrl costs 0 real_cost = 189.662 ABIpro_TS1 costs 0 real_cost = 191.438 3Dpro_TS5-scwrl costs 0 real_cost = -76.5599 3Dpro_TS5 costs 0 real_cost = -81.1123 3Dpro_TS4-scwrl costs 0 real_cost = -110.259 3Dpro_TS4 costs 0 real_cost = -103.533 3Dpro_TS3-scwrl costs 0 real_cost = -85.971 3Dpro_TS3 costs 0 real_cost = -83.8442 3Dpro_TS2-scwrl costs 0 real_cost = -109.547 3Dpro_TS2 costs 0 real_cost = -96.987 3Dpro_TS1-scwrl costs 0 real_cost = -107.166 3Dpro_TS1 costs 0 real_cost = -96.7785 3D-JIGSAW_TS5-scwrl costs 0 real_cost = -25.8757 3D-JIGSAW_TS5 costs 0 real_cost = -35.5308 3D-JIGSAW_TS4-scwrl costs 0 real_cost = -23.706 3D-JIGSAW_TS4 costs 0 real_cost = -29.5011 3D-JIGSAW_TS3-scwrl costs 0 real_cost = -26.746 3D-JIGSAW_TS3 costs 0 real_cost = -27.6047 3D-JIGSAW_TS2-scwrl costs 0 real_cost = -17.7317 3D-JIGSAW_TS2 costs 0 real_cost = -7.82735 3D-JIGSAW_TS1-scwrl costs 0 real_cost = -23.7574 3D-JIGSAW_TS1 costs 0 real_cost = -36.7151 3D-JIGSAW_RECOM_TS5-scwrl costs 0 real_cost = -21.1904 3D-JIGSAW_RECOM_TS5 costs 0 real_cost = -29.4962 3D-JIGSAW_RECOM_TS4-scwrl costs 0 real_cost = -20.7248 3D-JIGSAW_RECOM_TS4 costs 0 real_cost = -27.8915 3D-JIGSAW_RECOM_TS3-scwrl costs 0 real_cost = -20.8959 3D-JIGSAW_RECOM_TS3 costs 0 real_cost = -30.2978 3D-JIGSAW_RECOM_TS2-scwrl costs 0 real_cost = -66.0195 3D-JIGSAW_RECOM_TS2 costs 0 real_cost = -80.2946 3D-JIGSAW_RECOM_TS1-scwrl costs 0 real_cost = -62.2177 3D-JIGSAW_RECOM_TS1 costs 0 real_cost = -71.113 3D-JIGSAW_POPULUS_TS5-scwrl costs 0 real_cost = -1.38879 3D-JIGSAW_POPULUS_TS5 costs 0 real_cost = -4.70176 3D-JIGSAW_POPULUS_TS4-scwrl costs 0 real_cost = -38.0266 3D-JIGSAW_POPULUS_TS4 costs 0 real_cost = -46.2591 3D-JIGSAW_POPULUS_TS3-scwrl costs 0 real_cost = -32.916 3D-JIGSAW_POPULUS_TS3 costs 0 real_cost = -49.9314 3D-JIGSAW_POPULUS_TS2-scwrl costs 0 real_cost = -27.7864 3D-JIGSAW_POPULUS_TS2 costs 0 real_cost = -42.2535 3D-JIGSAW_POPULUS_TS1-scwrl costs 0 real_cost = -58.6871 3D-JIGSAW_POPULUS_TS1 costs 0 real_cost = -71.6158 T0379.try9-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -65.125 T0379.try9-opt2.pdb.gz costs 0 real_cost = -62.7003 T0379.try9-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = -64.5995 T0379.try9-opt2.gromacs0.pdb.gz costs 0 real_cost = -60.0246 T0379.try9-opt1.pdb.gz costs 0 real_cost = -61.7104 T0379.try9-opt1-scwrl.pdb.gz costs 0 real_cost = -66.2525 T0379.try8-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -61.9378 T0379.try8-opt2.pdb.gz costs 0 real_cost = -57.662 T0379.try8-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = -60.6393 T0379.try8-opt2.gromacs0.pdb.gz costs 0 real_cost = -54.717 T0379.try8-opt1.pdb.gz costs 0 real_cost = -56.7164 T0379.try8-opt1-scwrl.pdb.gz costs 0 real_cost = -60.2778 T0379.try7-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -59.75 T0379.try7-opt2.pdb.gz costs 0 real_cost = -58.3802 T0379.try7-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = -60.9316 T0379.try7-opt2.gromacs0.pdb.gz costs 0 real_cost = -58.8242 T0379.try7-opt1.pdb.gz costs 0 real_cost = -53.3009 T0379.try7-opt1-scwrl.pdb.gz costs 0 real_cost = -51.8359 T0379.try6-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -34.1625 T0379.try6-opt2.pdb.gz costs 0 real_cost = -35.53 T0379.try6-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = -39.5812 T0379.try6-opt2.gromacs0.pdb.gz costs 0 real_cost = -38.3015 T0379.try6-opt1.pdb.gz costs 0 real_cost = -38.4492 T0379.try6-opt1-scwrl.pdb.gz costs 0 real_cost = -38.3117 T0379.try5-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -70.3074 T0379.try5-opt2.pdb.gz costs 0 real_cost = -75.2194 T0379.try5-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = -70.0101 T0379.try5-opt2.gromacs0.pdb.gz costs 0 real_cost = -74.8906 T0379.try5-opt1.pdb.gz costs 0 real_cost = -73.5885 T0379.try5-opt1-scwrl.pdb.gz costs 0 real_cost = -73.4161 T0379.try4-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -37.2242 T0379.try4-opt2.pdb.gz costs 0 real_cost = -34.9962 T0379.try4-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = -39.1415 T0379.try4-opt2.gromacs0.pdb.gz costs 0 real_cost = -35.7224 T0379.try4-opt1.pdb.gz costs 0 real_cost = -32.7085 T0379.try4-opt1-scwrl.pdb.gz costs 0 real_cost = -32.1948 T0379.try3-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -112.612 T0379.try3-opt2.pdb.gz costs 0 real_cost = -111.268 T0379.try3-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = -113.711 T0379.try3-opt2.gromacs0.pdb.gz costs 0 real_cost = -112.2 T0379.try3-opt1.pdb.gz costs 0 real_cost = -107.924 T0379.try3-opt1-scwrl.pdb.gz costs 0 real_cost = -108.588 T0379.try29-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -10.2435 T0379.try29-opt2.pdb.gz costs 0 real_cost = -12.0981 T0379.try29-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = -6.54988 T0379.try29-opt2.gromacs0.pdb.gz costs 0 real_cost = -7.57433 T0379.try29-opt1.pdb.gz costs 0 real_cost = -15.2335 T0379.try29-opt1-scwrl.pdb.gz costs 0 real_cost = -13.113 T0379.try28-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -143.197 T0379.try28-opt2.pdb.gz costs 0 real_cost = -143.715 T0379.try28-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = -138.487 T0379.try28-opt2.gromacs0.pdb.gz costs 0 real_cost = -139.98 T0379.try28-opt1.pdb.gz costs 0 real_cost = -144.045 T0379.try28-opt1-scwrl.pdb.gz costs 0 real_cost = -141.864 T0379.try27-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -144.349 T0379.try27-opt2.pdb.gz costs 0 real_cost = -144.191 T0379.try27-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = -139.523 T0379.try27-opt2.gromacs0.pdb.gz costs 0 real_cost = -142.946 T0379.try27-opt1.pdb.gz costs 0 real_cost = -142.232 T0379.try27-opt1-scwrl.pdb.gz costs 0 real_cost = -143.263 T0379.try26-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -142.326 T0379.try26-opt2.pdb.gz costs 0 real_cost = -140.505 T0379.try26-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = -137.245 T0379.try26-opt2.gromacs0.pdb.gz costs 0 real_cost = -138.717 T0379.try26-opt1.pdb.gz costs 0 real_cost = -140.105 T0379.try26-opt1-scwrl.pdb.gz costs 0 real_cost = -141.227 T0379.try25-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -133.883 T0379.try25-opt2.pdb.gz costs 0 real_cost = -135.438 T0379.try25-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = -132.591 T0379.try25-opt2.gromacs0.pdb.gz costs 0 real_cost = -132.106 T0379.try25-opt1.pdb.gz costs 0 real_cost = -131.335 T0379.try25-opt1-scwrl.pdb.gz costs 0 real_cost = -132.08 T0379.try24-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -142.071 T0379.try24-opt2.pdb.gz costs 0 real_cost = -143.453 T0379.try24-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = -142.382 T0379.try24-opt2.gromacs0.pdb.gz costs 0 real_cost = -144.203 T0379.try24-opt1.pdb.gz costs 0 real_cost = -140.404 T0379.try24-opt1-scwrl.pdb.gz costs 0 real_cost = -142.556 T0379.try23-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -133.889 T0379.try23-opt2.pdb.gz costs 0 real_cost = -133.867 T0379.try23-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = -133.897 T0379.try23-opt2.gromacs0.pdb.gz costs 0 real_cost = -132.711 T0379.try23-opt1.pdb.gz costs 0 real_cost = -133.585 T0379.try23-opt1-scwrl.pdb.gz costs 0 real_cost = -133.303 T0379.try22-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -135.384 T0379.try22-opt2.pdb.gz costs 0 real_cost = -134.405 T0379.try22-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = -133.853 T0379.try22-opt2.gromacs0.pdb.gz costs 0 real_cost = -135.639 T0379.try22-opt1.pdb.gz costs 0 real_cost = -135.182 T0379.try22-opt1-scwrl.pdb.gz costs 0 real_cost = -133.445 T0379.try21-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -141.208 T0379.try21-opt2.pdb.gz costs 0 real_cost = -139.993 T0379.try21-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = -141.097 T0379.try21-opt2.gromacs0.pdb.gz costs 0 real_cost = -140.898 T0379.try21-opt1.pdb.gz costs 0 real_cost = -138.842 T0379.try21-opt1-scwrl.pdb.gz costs 0 real_cost = -142.221 T0379.try20-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -138.445 T0379.try20-opt2.pdb.gz costs 0 real_cost = -138.461 T0379.try20-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = -138.876 T0379.try20-opt2.gromacs0.pdb.gz costs 0 real_cost = -138.92 T0379.try20-opt1.pdb.gz costs 0 real_cost = -139.286 T0379.try20-opt1-scwrl.pdb.gz costs 0 real_cost = -139.802 T0379.try2-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -136.581 T0379.try2-opt2.pdb.gz costs 0 real_cost = -135.414 T0379.try2-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = -138.577 T0379.try2-opt2.gromacs0.pdb.gz costs 0 real_cost = -137.754 T0379.try2-opt1.pdb.gz costs 0 real_cost = -133.805 T0379.try2-opt1-scwrl.pdb.gz costs 0 real_cost = -130.925 T0379.try19-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -136.768 T0379.try19-opt2.pdb.gz costs 0 real_cost = -133.124 T0379.try19-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = -135.054 T0379.try19-opt2.gromacs0.pdb.gz costs 0 real_cost = -133.627 T0379.try19-opt1.pdb.gz costs 0 real_cost = -132.576 T0379.try19-opt1-scwrl.pdb.gz costs 0 real_cost = -135.106 T0379.try18-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -69.1343 T0379.try18-opt2.pdb.gz costs 0 real_cost = -67.0952 T0379.try18-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = -69.1015 T0379.try18-opt2.gromacs0.pdb.gz costs 0 real_cost = -62.6105 T0379.try18-opt1.pdb.gz costs 0 real_cost = -64.9451 T0379.try18-opt1-scwrl.pdb.gz costs 0 real_cost = -68.2264 T0379.try17-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -137.418 T0379.try17-opt2.pdb.gz costs 0 real_cost = -138.834 T0379.try17-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = -136.19 T0379.try17-opt2.gromacs0.pdb.gz costs 0 real_cost = -139.928 T0379.try17-opt1.pdb.gz costs 0 real_cost = -136.588 T0379.try17-opt1-scwrl.pdb.gz costs 0 real_cost = -137.278 T0379.try16-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -124.161 T0379.try16-opt2.pdb.gz costs 0 real_cost = -129.603 T0379.try16-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = -132.046 T0379.try16-opt2.gromacs0.pdb.gz costs 0 real_cost = -129.165 T0379.try16-opt1.pdb.gz costs 0 real_cost = -129.344 T0379.try16-opt1-scwrl.pdb.gz costs 0 real_cost = -134.159 T0379.try15-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -66.6563 T0379.try15-opt2.pdb.gz costs 0 real_cost = -65.4845 T0379.try15-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = -62.9372 T0379.try15-opt2.gromacs0.pdb.gz costs 0 real_cost = -61.2916 T0379.try15-opt1.pdb.gz costs 0 real_cost = -63.6275 T0379.try15-opt1-scwrl.pdb.gz costs 0 real_cost = -67.8207 T0379.try14-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -125.283 T0379.try14-opt2.pdb.gz costs 0 real_cost = -124.771 T0379.try14-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = -129.033 T0379.try14-opt2.gromacs0.pdb.gz costs 0 real_cost = -126.126 T0379.try14-opt1.pdb.gz costs 0 real_cost = -128.624 T0379.try14-opt1-scwrl.pdb.gz costs 0 real_cost = -131.672 T0379.try13-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -129.34 T0379.try13-opt2.pdb.gz costs 0 real_cost = -127.695 T0379.try13-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = -130.623 T0379.try13-opt2.gromacs0.pdb.gz costs 0 real_cost = -128.739 T0379.try13-opt1.pdb.gz costs 0 real_cost = -125.697 T0379.try13-opt1-scwrl.pdb.gz costs 0 real_cost = -128.518 T0379.try12-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -115.077 T0379.try12-opt2.pdb.gz costs 0 real_cost = -110.312 T0379.try12-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = -112.321 T0379.try12-opt2.gromacs0.pdb.gz costs 0 real_cost = -109.608 T0379.try12-opt1.pdb.gz costs 0 real_cost = -109.002 T0379.try12-opt1-scwrl.pdb.gz costs 0 real_cost = -111.288 T0379.try11-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -111.701 T0379.try11-opt2.pdb.gz costs 0 real_cost = -114.003 T0379.try11-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = -120.909 T0379.try11-opt2.gromacs0.pdb.gz costs 0 real_cost = -121.312 T0379.try11-opt1.pdb.gz costs 0 real_cost = -105.034 T0379.try11-opt1-scwrl.pdb.gz costs 0 real_cost = -111.77 T0379.try10-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -36.5679 T0379.try10-opt2.pdb.gz costs 0 real_cost = -44.8693 T0379.try10-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = -45.7489 T0379.try10-opt2.gromacs0.pdb.gz costs 0 real_cost = -49.6774 T0379.try10-opt1.pdb.gz costs 0 real_cost = -39.3637 T0379.try10-opt1-scwrl.pdb.gz costs 0 real_cost = -35.9799 T0379.try1-opt2.repack-nonPC.pdb.gz costs 0 real_cost = -126.698 T0379.try1-opt2.pdb.gz costs 0 real_cost = -132.201 T0379.try1-opt2.gromacs0.repack-nonPC.pdb.gz costs 0 real_cost = -134.233 T0379.try1-opt2.gromacs0.pdb.gz costs 0 real_cost = -134.507 T0379.try1-opt1.pdb.gz costs 0 real_cost = -127.533 T0379.try1-opt1-scwrl.pdb.gz costs 0 real_cost = -126.212 ../model5.ts-submitted costs 0 real_cost = -12.0778 ../model4.ts-submitted costs 0 real_cost = -66.9328 ../model3.ts-submitted costs 0 real_cost = -125.255 ../model2.ts-submitted costs 0 real_cost = -133.924 ../model1.ts-submitted costs 0 real_cost = -143.726 align5 costs 0 real_cost = 19.9528 align4 costs 0 real_cost = -70.9462 align3 costs 0 real_cost = -21.5235 align2 costs 0 real_cost = -75.0721 align1 costs 0 real_cost = 32.578 T0379.try1-opt2.pdb costs 0 real_cost = -132.173 model5-scwrl costs 0 real_cost = -14.0807 model5.ts-submitted costs 0 real_cost = -12.0778 model4-scwrl costs 0 real_cost = -70.6886 model4.ts-submitted costs 0 real_cost = -66.9328 model3-scwrl costs 0 real_cost = -131.613 model3.ts-submitted costs 0 real_cost = -125.255 model2-scwrl costs 0 real_cost = -135.27 model2.ts-submitted costs 0 real_cost = -133.924 model1-scwrl costs 0 real_cost = -143.752 model1.ts-submitted costs 0 real_cost = -143.726 T0379_1.real.pdb costs 0 real_cost = -781.8 # command:CPU_time= 1136.75 sec, elapsed time= 1548.48 sec) # command:rm -f sort.tmp /projects/compbio/bin/sorttbl real_cost < decoys/evaluate_1.rdb > sort.tmp mv -f sort.tmp decoys/evaluate_1.rdb mv -f decoys/evaluate_1.pretty decoys/evaluate_1.pretty.old mv: cannot stat `decoys/evaluate_1.pretty': No such file or directory make: [decoys/evaluate_1.pretty] Error 1 (ignored) /projects/compbio/experiments/protein-predict/casp7/scripts/prettyscore -terse -targpfx -decpoint < decoys/evaluate_1.rdb > decoys/evaluate_1.pretty