rm -f decoys/servers.mqa2.everything.rdb sed -e s/XXX0000/T0286/ -e s/START_COL/1/ \ -e s/COSTFCN/everything/g \ -e s/_domain// \ -e s/read-pdb/read-servers/ \ -e s/REAL_PDB// \ < /projects/compbio/experiments/protein-predict/casp7/starter-directory/servers.mqa2.under \ | nice -2 /projects/compbiousr/hyjkim/Spring08/undertaker/undertaker # command:# Seed set to 1210933095 # command:# Prefix for input files set to /projects/compbio/experiments/undertaker/atoms-inputs/ # command:# reading monomeric-50pc.atoms # trans (non-proline) backbone unit: # CA= -2.2101 1.0129 -0.0033 # O= -0.1508 2.2440 0.0016 # C= -0.6897 1.1364 -0.0000 # N+1= 0.0000 0.0000 0.0000 # CA+1= 1.4583 -0.0000 -0.0000 # cis backbone unit: # CA= -0.1438 2.4522 0.0007 # O= -2.0283 0.9702 0.0005 # C= -0.8017 1.0759 0.0000 # N+1= 0.0000 0.0000 0.0000 # CA+1= 1.4664 -0.0000 0.0000 # trans backbone unit before proline: # CA= -2.2110 1.0636 -0.0014 # O= -0.1234 2.2469 0.0075 # C= -0.6877 1.1518 0.0000 # N+1= 0.0000 0.0000 0.0000 # CA+1= 1.4665 0.0000 0.0000 # After reading monomeric-50pc.atoms have 448 chains in training database # Count of chains,residues,atoms: 448,112605,876684 # 111048 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 685 # 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= 6.612 sec, elapsed time= 6.665 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 5.000 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 6.500 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 6.500 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 6.500 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 9.650 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 8.900 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 8.000 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 10.000 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 12.000 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 4 alphabets and 0 BackgroundProbs from alpha.alphabet # command:CPU_time= 6.690 sec, elapsed time= 6.760 sec. # command:# Prefix for input files set to # command:# Making conformation for sequence T0286 numbered 1 through 205 Created new target T0286 from T0286.a2m # command:# command:# No conformations to remove in PopConform # command:# cleared Id set # command:# command:Error: ReadConformPDBidsNo chains found for ID set: # command:# Saving current conformation as real # command:# Prefix for output files set to decoys/ # command:# SetRealCost created real_cost = # ( 0.000 * rmsd + 0.000 * log_rmsd + 1.000 * rmsd_ca + 1.000 * sd_ca + 0.000 * log_rmsd_ca ) # command:# SetCost created cost = # ) # command:# reading script from file everything.costfcn # Prefix for input files set to /projects/compbio/experiments/undertaker/spots/ # ReadAtomType exp2-pdb.types Read AtomType exp2-pdb with 50 types. # ReadClashTable exp2-pdb-dunbrack-40pc-3157-2symm.clash # Read ClashTable exp2-pdb-dunbrack-40pc-3157-2symm checking bonds symmetric at MaxSep 2 # Prefix for input files set to /projects/compbio/lib/alphabet/ # Read 2 alphabets and 0 BackgroundProbs from anglevector.alphabet # Read 29 alphabets and 0 BackgroundProbs from burial.alphabet # Read 3 alphabets and 0 BackgroundProbs from burial-sep.alphabet # Read 5 alphabets and 0 BackgroundProbs from two-spot-burial.alphabet # Read 6 alphabets and 0 BackgroundProbs from hbonds.alphabet # Read 1 alphabets and 0 BackgroundProbs from str4.alphabet # Read 0 alphabets and 24 BackgroundProbs from dunbrack-in-scop.backgrounds # Prefix for input files set to # CreateCombinedNNet created CombinedNNet bys_back # created predicted AngleVectorPredCostFcn pred_bys_back # system error: system error: unable to open T0286.t2k.pb.rdb [at CombinedNNet.cc line 102]