# command:# Seed set to 1167831490 # command:# Prefix for input files set to /projects/compbio/experiments/undertaker/atoms-inputs/ # command:# reading monomeric-50pc.atoms # trans (non-proline) backbone unit: # CA= -2.2088 1.0126 -0.0031 # O= -0.1499 2.2440 0.0017 # C= -0.6889 1.1368 0.0000 # N+1= 0.0000 0.0000 0.0000 # CA+1= 1.4581 0.0000 0.0000 # cis backbone unit: # CA= -0.1462 2.4515 0.0018 # O= -2.0272 0.9713 0.0022 # C= -0.8006 1.0755 0.0000 # N+1= 0.0000 0.0000 0.0000 # CA+1= 1.4659 0.0000 0.0000 # trans backbone unit before proline: # CA= -2.2099 1.0634 -0.0014 # O= -0.1233 2.2459 0.0075 # C= -0.6871 1.1518 0.0000 # N+1= 0.0000 0.0000 0.0000 # CA+1= 1.4660 0.0000 0.0000 # After reading monomeric-50pc.atoms have 448 chains in training database # Count of chains,residues,atoms: 448,112605,876684 # 109826 residues have no bad marker # 665 residues lack atoms needed to compute omega # 322 residues have cis peptide # number of each bad type: # NON_STANDARD_RESIDUE 6 # HAS_OXT 325 # TOO_MANY_ATOMS 1 # TOO_FEW_ATOMS 523 # HAS_UNKNOWN_ATOMS 2 # HAS_DUPLICATE_ATOMS 0 # CHAIN_BREAK_BEFORE 208 # NON_PLANAR_PEPTIDE 143 # BAD_PEPTIDE 1959 # Note: may sum to more than number of residues, # because one residue may have multiple problems # command:# Reading rotamer library from dunbrack-1332.rot # command:# Prefix for input files set to /projects/compbio/experiments/undertaker/spots/ # command:# ReadAtomType exp-pdb.types Read AtomType exp-pdb with 49 types. # command:# ReadClashTable exp-pdb-2191-2symm.clash # Read ClashTable exp-pdb-2191-2symm checking bonds symmetric at MaxSep 2 # command:# command:CPU_time= 5.00224 sec, elapsed time= 5.04058 sec) # command:# Reading spots from monomeric-50pc-dry-5.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-dry-5.hist # created burial cost function dry5 with radius 5 with spots at monomeric-50pc-dry-5.spot # command:# Reading spots from monomeric-50pc-wet-6.5.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-wet-6.5.hist # created burial cost function wet6.5 with radius 6.5 with spots at monomeric-50pc-wet-6.5.spot # command:# Reading spots from monomeric-50pc-dry-6.5.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-dry-6.5.hist # created burial cost function dry6.5 with radius 6.5 with spots at monomeric-50pc-dry-6.5.spot # command:# Reading spots from monomeric-50pc-generic-6.5.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-generic-6.5.hist # created burial cost function gen6.5 with radius 6.5 with spots at monomeric-50pc-generic-6.5.spot # command:# Reading spots from near-backbone-center.spot # reading histogram from smoothed-near-backbone-2spot.hist # Reading spots from near-backbone-count.spot # created burial cost function near_backbone with radius 9.65 with spots at near-backbone-center.spot counting only near-backbone-count.spot # command:# Reading spots from way-back-center.spot # reading histogram from smoothed-way-back-2spot.hist # Reading spots from way-back-count.spot # created burial cost function way_back with radius 8.9 with spots at way-back-center.spot counting only way-back-count.spot # command:# Reading spots from monomeric-50pc-dry-8.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-dry-8.hist # created burial cost function dry8 with radius 8 with spots at monomeric-50pc-dry-8.spot # command:# Reading spots from monomeric-50pc-dry-10.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-dry-10.hist # created burial cost function dry10 with radius 10 with spots at monomeric-50pc-dry-10.spot # command:# Reading spots from monomeric-50pc-dry-12.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-dry-12.hist # created burial cost function dry12 with radius 12 with spots at monomeric-50pc-dry-12.spot # command:# reading histogram from dunbrack-2191-alpha.hist # created alpha cost function alpha with offset 0 and 360 bins # command:# reading histogram from dunbrack-2191-alpha-1.hist # created alpha cost function alpha_prev with offset -1 and 360 bins # command:# Prefix for input files set to /projects/compbio/lib/alphabet/ # command:# Read 3 alphabets from alpha.alphabet # command:CPU_time= 5.06823 sec, elapsed time= 5.1208 sec) # command:# Prefix for input files set to # command:# ReadTargetPDB reading from PDB file model1.ts-submitted looking for model 1 Read PDB file model1.ts-submitted model 1 as target. Have 154 residues and 1190 atoms. # command:# command:# No conformations to remove in PopConform # command:# ReadConformPDB reading from PDB file T0370_1.real.pdb looking for model 1 Skipped atom 61, because occupancy 5.0000000e-01 <= existing 0.500 in T0370_1.real.pdb Skipped atom 63, because occupancy 0.500 <= existing 0.500 in T0370_1.real.pdb Skipped atom 65, because occupancy 0.500 <= existing 0.500 in T0370_1.real.pdb Skipped atom 67, because occupancy 0.500 <= existing 0.500 in T0370_1.real.pdb Skipped atom 69, because occupancy 0.500 <= existing 0.500 in T0370_1.real.pdb Skipped atom 71, because occupancy 0.500 <= existing 0.500 in T0370_1.real.pdb Skipped atom 73, because occupancy 0.500 <= existing 0.500 in T0370_1.real.pdb Skipped atom 75, because occupancy 0.500 <= existing 0.500 in T0370_1.real.pdb Skipped atom 77, because occupancy 0.500 <= existing 0.500 in T0370_1.real.pdb Skipped atom 631, because occupancy 0.500 <= existing 0.500 in T0370_1.real.pdb Skipped atom 635, because occupancy 0.500 <= existing 0.500 in T0370_1.real.pdb Skipped atom 637, because occupancy 0.500 <= existing 0.500 in T0370_1.real.pdb Skipped atom 639, because occupancy 0.500 <= existing 0.500 in T0370_1.real.pdb Skipped atom 641, because occupancy 0.500 <= existing 0.500 in T0370_1.real.pdb Skipped atom 643, because occupancy 0.500 <= existing 0.500 in T0370_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 # WARNING: incomplete conformation T0370 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= 7.07792 sec, elapsed time= 7.13949 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 149 # copying to AlignedFragments data structure # command:DEBUG: using (1.500, 0.700), improved 168 times DEBUG: GDT now 0.627 DEBUG: using (1.425, 0.800), improved 34 times DEBUG: GDT now 0.628 DEBUG: using (1.354, 0.900), improved 32 times DEBUG: GDT now 0.628 DEBUG: using (1.286, 1.000), improved 27 times DEBUG: GDT now 0.630 DEBUG: using (1.222, 1.100), improved 17 times DEBUG: GDT now 0.630 DEBUG: using (1.161, 1.200), improved 15 times DEBUG: GDT now 0.630 DEBUG: using (1.103, 1.300), improved 13 times DEBUG: GDT now 0.630 DEBUG: using (1.048, 1.400), improved 10 times DEBUG: GDT now 0.630 DEBUG: using (0.995, 1.500), improved 16 times DEBUG: GDT now 0.632 DEBUG: using (0.945, 1.600), improved 15 times DEBUG: GDT now 0.632 DEBUG: using (0.898, 1.700), improved 11 times DEBUG: GDT now 0.632 DEBUG: using (0.853, 1.800), improved 8 times DEBUG: GDT now 0.632 DEBUG: using (0.811, 1.900), improved 7 times DEBUG: GDT now 0.632 DEBUG: using (0.770, 2.000), improved 9 times DEBUG: GDT now 0.634 DEBUG: using (0.732, 2.100), improved 5 times DEBUG: GDT now 0.634 DEBUG: using (0.695, 2.200), improved 6 times DEBUG: GDT now 0.635 DEBUG: using (0.660, 2.300), improved 10 times DEBUG: GDT now 0.635 DEBUG: using (0.627, 2.400), improved 4 times DEBUG: GDT now 0.635 DEBUG: using (0.596, 2.500), improved 2 times DEBUG: GDT now 0.637 DEBUG: using (0.566, 2.600), improved 6 times DEBUG: GDT now 0.637 DEBUG: using (0.538, 2.700), improved 3 times DEBUG: GDT now 0.637 DEBUG: using (0.511, 2.800), improved 2 times DEBUG: GDT now 0.637 DEBUG: using (0.485, 2.900), improved 3 times DEBUG: GDT now 0.637 DEBUG: using (0.461, 3.000), improved 0 times DEBUG: GDT now 0.637 DEBUG: using (0.438, 3.100), improved 3 times DEBUG: GDT now 0.637 DEBUG: using (0.416, 3.200), improved 2 times DEBUG: GDT now 0.637 DEBUG: using (0.395, 3.300), improved 3 times DEBUG: GDT now 0.637 DEBUG: using (0.376, 3.400), improved 1 times DEBUG: GDT now 0.637 DEBUG: using (0.357, 3.500), improved 4 times DEBUG: GDT now 0.637 DEBUG: using (0.339, 3.600), improved 0 times DEBUG: GDT now 0.637 DEBUG: using (0.322, 3.700), improved 3 times DEBUG: GDT now 0.637 DEBUG: using (0.306, 3.800), improved 2 times DEBUG: GDT now 0.637 DEBUG: using (0.291, 3.900), improved 2 times DEBUG: GDT now 0.637 DEBUG: using (0.276, 4.000), improved 1 times DEBUG: GDT now 0.637 DEBUG: using (0.262, 4.100), improved 3 times DEBUG: GDT now 0.637 DEBUG: using (0.249, 4.200), improved 0 times DEBUG: GDT now 0.637 # fraction of real conformation used = 1 # GDT_score = -63.7153 # GDT_score(maxd=8,maxw=2.9)= -65.9075 # GDT_score(maxd=8,maxw=3.2)= -62.7968 # GDT_score(maxd=8,maxw=3.5)= -59.5925 # GDT_score(maxd=10,maxw=3.8)= -62.4822 # GDT_score(maxd=10,maxw=4)= -60.3436 # GDT_score(maxd=10,maxw=4.2)= -58.2652 # GDT_score(maxd=12,maxw=4.3)= -61.9811 # GDT_score(maxd=12,maxw=4.5)= -59.9542 # GDT_score(maxd=12,maxw=4.7)= -58.0355 # GDT_score(maxd=14,maxw=5.2)= -57.1467 # GDT_score(maxd=14,maxw=5.5)= -54.5778 # command:# request to SCWRL produces command: ulimit -t 139 ; scwrl -i /var/tmp/to_scwrl_1108404287.pdb -s /var/tmp/to_scwrl_1108404287.seq -o /var/tmp/from_scwrl_1108404287.pdb > /var/tmp/scwrl_1108404287.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1108404287.pdb # conformation set from SCWRL output # command:# naming current conformation model1-scwrl # command:# Prefix for output files set to decoys/ # command:# Will now start reporting costs to decoys/test-evaluate.rdb # command:# CostConform # Reading spots from /projects/compbio/experiments/undertaker/spots/near-backbone-center.spot DEBUG: using (1.500, 0.700), improved 168 times DEBUG: GDT now 0.627 DEBUG: using (1.425, 0.800), improved 34 times DEBUG: GDT now 0.628 DEBUG: using (1.354, 0.900), improved 32 times DEBUG: GDT now 0.628 DEBUG: using (1.286, 1.000), improved 27 times DEBUG: GDT now 0.630 DEBUG: using (1.222, 1.100), improved 17 times DEBUG: GDT now 0.630 DEBUG: using (1.161, 1.200), improved 15 times DEBUG: GDT now 0.630 DEBUG: using (1.103, 1.300), improved 13 times DEBUG: GDT now 0.630 DEBUG: using (1.048, 1.400), improved 10 times DEBUG: GDT now 0.630 DEBUG: using (0.995, 1.500), improved 16 times DEBUG: GDT now 0.632 DEBUG: using (0.945, 1.600), improved 15 times DEBUG: GDT now 0.632 DEBUG: using (0.898, 1.700), improved 11 times DEBUG: GDT now 0.632 DEBUG: using (0.853, 1.800), improved 8 times DEBUG: GDT now 0.632 DEBUG: using (0.811, 1.900), improved 7 times DEBUG: GDT now 0.632 DEBUG: using (0.770, 2.000), improved 9 times DEBUG: GDT now 0.634 DEBUG: using (0.732, 2.100), improved 5 times DEBUG: GDT now 0.634 DEBUG: using (0.695, 2.200), improved 6 times DEBUG: GDT now 0.635 DEBUG: using (0.660, 2.300), improved 10 times DEBUG: GDT now 0.635 DEBUG: using (0.627, 2.400), improved 4 times DEBUG: GDT now 0.635 DEBUG: using (0.596, 2.500), improved 2 times DEBUG: GDT now 0.637 DEBUG: using (0.566, 2.600), improved 6 times DEBUG: GDT now 0.637 DEBUG: using (0.538, 2.700), improved 3 times DEBUG: GDT now 0.637 DEBUG: using (0.511, 2.800), improved 2 times DEBUG: GDT now 0.637 DEBUG: using (0.485, 2.900), improved 3 times DEBUG: GDT now 0.637 DEBUG: using (0.461, 3.000), improved 0 times DEBUG: GDT now 0.637 DEBUG: using (0.438, 3.100), improved 3 times DEBUG: GDT now 0.637 DEBUG: using (0.416, 3.200), improved 2 times DEBUG: GDT now 0.637 DEBUG: using (0.395, 3.300), improved 3 times DEBUG: GDT now 0.637 DEBUG: using (0.376, 3.400), improved 1 times DEBUG: GDT now 0.637 DEBUG: using (0.357, 3.500), improved 4 times DEBUG: GDT now 0.637 DEBUG: using (0.339, 3.600), improved 0 times DEBUG: GDT now 0.637 DEBUG: using (0.322, 3.700), improved 3 times DEBUG: GDT now 0.637 DEBUG: using (0.306, 3.800), improved 2 times DEBUG: GDT now 0.637 DEBUG: using (0.291, 3.900), improved 2 times DEBUG: GDT now 0.637 DEBUG: using (0.276, 4.000), improved 1 times DEBUG: GDT now 0.637 DEBUG: using (0.262, 4.100), improved 3 times DEBUG: GDT now 0.637 DEBUG: using (0.249, 4.200), improved 0 times DEBUG: GDT now 0.637 DEBUG: using (1.500, 0.700), improved 168 times DEBUG: GDT now 0.627 DEBUG: using (1.425, 0.800), improved 34 times DEBUG: GDT now 0.628 DEBUG: using (1.354, 0.900), improved 32 times DEBUG: GDT now 0.628 DEBUG: using (1.286, 1.000), improved 27 times DEBUG: GDT now 0.630 DEBUG: using (1.222, 1.100), improved 17 times DEBUG: GDT now 0.630 DEBUG: using (1.161, 1.200), improved 15 times DEBUG: GDT now 0.630 DEBUG: using (1.103, 1.300), improved 13 times DEBUG: GDT now 0.630 DEBUG: using (1.048, 1.400), improved 10 times DEBUG: GDT now 0.630 DEBUG: using (0.995, 1.500), improved 16 times DEBUG: GDT now 0.632 DEBUG: using (0.945, 1.600), improved 15 times DEBUG: GDT now 0.632 DEBUG: using (0.898, 1.700), improved 11 times DEBUG: GDT now 0.632 DEBUG: using (0.853, 1.800), improved 8 times DEBUG: GDT now 0.632 DEBUG: using (0.811, 1.900), improved 7 times DEBUG: GDT now 0.632 DEBUG: using (0.770, 2.000), improved 9 times DEBUG: GDT now 0.634 DEBUG: using (0.732, 2.100), improved 5 times DEBUG: GDT now 0.634 DEBUG: using (0.695, 2.200), improved 6 times DEBUG: GDT now 0.635 DEBUG: using (0.660, 2.300), improved 10 times DEBUG: GDT now 0.635 DEBUG: using (0.627, 2.400), improved 4 times DEBUG: GDT now 0.635 DEBUG: using (0.596, 2.500), improved 2 times DEBUG: GDT now 0.637 DEBUG: using (0.566, 2.600), improved 6 times DEBUG: GDT now 0.637 DEBUG: using (0.538, 2.700), improved 3 times DEBUG: GDT now 0.637 DEBUG: using (0.511, 2.800), improved 2 times DEBUG: GDT now 0.637 DEBUG: using (0.485, 2.900), improved 3 times DEBUG: GDT now 0.637 DEBUG: using (0.461, 3.000), improved 0 times DEBUG: GDT now 0.637 DEBUG: using (0.438, 3.100), improved 3 times DEBUG: GDT now 0.637 DEBUG: using (0.416, 3.200), improved 2 times DEBUG: GDT now 0.637 DEBUG: using (0.395, 3.300), improved 3 times DEBUG: GDT now 0.637 DEBUG: using (0.376, 3.400), improved 1 times DEBUG: GDT now 0.637 DEBUG: using (0.357, 3.500), improved 4 times DEBUG: GDT now 0.637 DEBUG: using (0.339, 3.600), improved 0 times DEBUG: GDT now 0.637 DEBUG: using (0.322, 3.700), improved 3 times DEBUG: GDT now 0.637 DEBUG: using (0.306, 3.800), improved 2 times DEBUG: GDT now 0.637 DEBUG: using (0.291, 3.900), improved 2 times DEBUG: GDT now 0.637 DEBUG: using (0.276, 4.000), improved 1 times DEBUG: GDT now 0.637 DEBUG: using (0.262, 4.100), improved 3 times DEBUG: GDT now 0.637 DEBUG: using (0.249, 4.200), improved 0 times DEBUG: GDT now 0.637 model1-scwrl costs 0 real_cost = -0.775722 DEBUG: using (1.500, 0.700), improved 168 times DEBUG: GDT now 0.627 DEBUG: using (1.425, 0.800), improved 34 times DEBUG: GDT now 0.628 DEBUG: using (1.354, 0.900), improved 32 times DEBUG: GDT now 0.628 DEBUG: using (1.286, 1.000), improved 27 times DEBUG: GDT now 0.630 DEBUG: using (1.222, 1.100), improved 17 times DEBUG: GDT now 0.630 DEBUG: using (1.161, 1.200), improved 15 times DEBUG: GDT now 0.630 DEBUG: using (1.103, 1.300), improved 13 times DEBUG: GDT now 0.630 DEBUG: using (1.048, 1.400), improved 10 times DEBUG: GDT now 0.630 DEBUG: using (0.995, 1.500), improved 16 times DEBUG: GDT now 0.632 DEBUG: using (0.945, 1.600), improved 15 times DEBUG: GDT now 0.632 DEBUG: using (0.898, 1.700), improved 11 times DEBUG: GDT now 0.632 DEBUG: using (0.853, 1.800), improved 8 times DEBUG: GDT now 0.632 DEBUG: using (0.811, 1.900), improved 7 times DEBUG: GDT now 0.632 DEBUG: using (0.770, 2.000), improved 9 times DEBUG: GDT now 0.634 DEBUG: using (0.732, 2.100), improved 5 times DEBUG: GDT now 0.634 DEBUG: using (0.695, 2.200), improved 6 times DEBUG: GDT now 0.635 DEBUG: using (0.660, 2.300), improved 10 times DEBUG: GDT now 0.635 DEBUG: using (0.627, 2.400), improved 4 times DEBUG: GDT now 0.635 DEBUG: using (0.596, 2.500), improved 2 times DEBUG: GDT now 0.637 DEBUG: using (0.566, 2.600), improved 6 times DEBUG: GDT now 0.637 DEBUG: using (0.538, 2.700), improved 3 times DEBUG: GDT now 0.637 DEBUG: using (0.511, 2.800), improved 2 times DEBUG: GDT now 0.637 DEBUG: using (0.485, 2.900), improved 3 times DEBUG: GDT now 0.637 DEBUG: using (0.461, 3.000), improved 0 times DEBUG: GDT now 0.637 DEBUG: using (0.438, 3.100), improved 3 times DEBUG: GDT now 0.637 DEBUG: using (0.416, 3.200), improved 2 times DEBUG: GDT now 0.637 DEBUG: using (0.395, 3.300), improved 3 times DEBUG: GDT now 0.637 DEBUG: using (0.376, 3.400), improved 1 times DEBUG: GDT now 0.637 DEBUG: using (0.357, 3.500), improved 4 times DEBUG: GDT now 0.637 DEBUG: using (0.339, 3.600), improved 0 times DEBUG: GDT now 0.637 DEBUG: using (0.322, 3.700), improved 3 times DEBUG: GDT now 0.637 DEBUG: using (0.306, 3.800), improved 2 times DEBUG: GDT now 0.637 DEBUG: using (0.291, 3.900), improved 2 times DEBUG: GDT now 0.637 DEBUG: using (0.276, 4.000), improved 1 times DEBUG: GDT now 0.637 DEBUG: using (0.262, 4.100), improved 3 times DEBUG: GDT now 0.637 DEBUG: using (0.249, 4.200), improved 0 times DEBUG: GDT now 0.637 DEBUG: using (1.500, 0.700), improved 168 times DEBUG: GDT now 0.627 DEBUG: using (1.425, 0.800), improved 34 times DEBUG: GDT now 0.628 DEBUG: using (1.354, 0.900), improved 32 times DEBUG: GDT now 0.628 DEBUG: using (1.286, 1.000), improved 27 times DEBUG: GDT now 0.630 DEBUG: using (1.222, 1.100), improved 17 times DEBUG: GDT now 0.630 DEBUG: using (1.161, 1.200), improved 15 times DEBUG: GDT now 0.630 DEBUG: using (1.103, 1.300), improved 13 times DEBUG: GDT now 0.630 DEBUG: using (1.048, 1.400), improved 10 times DEBUG: GDT now 0.630 DEBUG: using (0.995, 1.500), improved 16 times DEBUG: GDT now 0.632 DEBUG: using (0.945, 1.600), improved 15 times DEBUG: GDT now 0.632 DEBUG: using (0.898, 1.700), improved 11 times DEBUG: GDT now 0.632 DEBUG: using (0.853, 1.800), improved 8 times DEBUG: GDT now 0.632 DEBUG: using (0.811, 1.900), improved 7 times DEBUG: GDT now 0.632 DEBUG: using (0.770, 2.000), improved 9 times DEBUG: GDT now 0.634 DEBUG: using (0.732, 2.100), improved 5 times DEBUG: GDT now 0.634 DEBUG: using (0.695, 2.200), improved 6 times DEBUG: GDT now 0.635 DEBUG: using (0.660, 2.300), improved 10 times DEBUG: GDT now 0.635 DEBUG: using (0.627, 2.400), improved 4 times DEBUG: GDT now 0.635 DEBUG: using (0.596, 2.500), improved 2 times DEBUG: GDT now 0.637 DEBUG: using (0.566, 2.600), improved 6 times DEBUG: GDT now 0.637 DEBUG: using (0.538, 2.700), improved 3 times DEBUG: GDT now 0.637 DEBUG: using (0.511, 2.800), improved 2 times DEBUG: GDT now 0.637 DEBUG: using (0.485, 2.900), improved 3 times DEBUG: GDT now 0.637 DEBUG: using (0.461, 3.000), improved 0 times DEBUG: GDT now 0.637 DEBUG: using (0.438, 3.100), improved 3 times DEBUG: GDT now 0.637 DEBUG: using (0.416, 3.200), improved 2 times DEBUG: GDT now 0.637 DEBUG: using (0.395, 3.300), improved 3 times DEBUG: GDT now 0.637 DEBUG: using (0.376, 3.400), improved 1 times DEBUG: GDT now 0.637 DEBUG: using (0.357, 3.500), improved 4 times DEBUG: GDT now 0.637 DEBUG: using (0.339, 3.600), improved 0 times DEBUG: GDT now 0.637 DEBUG: using (0.322, 3.700), improved 3 times DEBUG: GDT now 0.637 DEBUG: using (0.306, 3.800), improved 2 times DEBUG: GDT now 0.637 DEBUG: using (0.291, 3.900), improved 2 times DEBUG: GDT now 0.637 DEBUG: using (0.276, 4.000), improved 1 times DEBUG: GDT now 0.637 DEBUG: using (0.262, 4.100), improved 3 times DEBUG: GDT now 0.637 DEBUG: using (0.249, 4.200), improved 0 times DEBUG: GDT now 0.637 model1.ts-submitted costs 0 real_cost = -1.07689 DEBUG: using (1.500, 0.700), improved 0 times DEBUG: GDT now 1.000 DEBUG: using (1.425, 0.800), improved 0 times DEBUG: GDT now 1.000 DEBUG: using (1.354, 0.900), improved 0 times DEBUG: GDT now 1.000 DEBUG: using (1.500, 0.700), improved 0 times DEBUG: GDT now 1.000 DEBUG: using (1.425, 0.800), improved 0 times DEBUG: GDT now 1.000 DEBUG: using (1.354, 0.900), improved 0 times DEBUG: GDT now 1.000 T0370_1.real.pdb costs 0 real_cost = -877.8 # command:CPU_time= 10.2404 sec, elapsed time= 11.3632 sec) # command: