SetSeed // Note: the training atoms are needed for patching up chain breaks // when reading in conformations. InFilePrefix /projects/compbio/experiments/undertaker/atoms-inputs/ ReadTrainingAtoms monomeric-50pc.atoms ReadRotamerLibrary dunbrack-1332.rot InFilePrefix /projects/compbio/experiments/undertaker/spots/ ReadAtomType exp-pdb.types ReadClashTable exp-pdb-2191-2symm.clash SetClashDefinition exp-pdb-2191-2symm Time //Need to read in target before specific fragments or alignments can // be read, also before constraints can be defined. InFilePrefix /projects/compbio/experiments/protein-predict/casp8/T0514/decoys/SAM_T08// # ReadTargetPDB T0514.blank.pdb ReadTargetSeq T0514.a2m 1 NameTarget T0514 PopConform # Read real conformation # Read conformation by specifying a PDB id clearIDs AddID 3dtdA # DO READ ReadConformPDB T0514_D1.pdb NameConform T0514_D1 # SaveConformAsReal OutFilePrefix D1/decoys/ # # quit # perfect match should be cost -1. # different components are scaled to have roughly equal weight # (roughly a difference of 1 between great models and totally wrong ones) # Mon Feb 9 13:36:31 PST 2009 John Archie: changed real_cost to published version SetRealCost real_hbond 50 real_hbond_u 50 decoy_hbond 50 decoy_hbond_u 50 \ real_NO_hbond 10 real_NO_hbond_u 10 decoy_NO_hbond 10 decoy_NO_hbond_u 10 \ knot 0 clens 200 rmsd 0.0 log_rmsd 35 rmsd_ca 0.0 log_rmsd_ca 30 GDT 1 smooth_GDT 1 missing_atoms 0 include costfcn-init-eval.under # start with no cost function SetCost # override the cost function here: Time // read submitted models InfilePrefix /projects/compbio/experiments/protein-predict/casp8/T0514/decoys/SAM_T08// OutFilePrefix OutFilePrefix D1/decoys/ InfilePrefix /projects/compbio/experiments/protein-predict/casp8/T0514/decoys/SAM_T08//decoys/ OutFilePrefix OutFilePrefix D1/decoys/ // read models from alignment InFilePrefix /projects/compbio/experiments/protein-predict/casp8/T0514/decoys/SAM_T08// InfilePrefix decoys/ include read-servers.under Time OutFilePrefix D1/decoys/ ReportCost servers-real_cost.rdb CostConform Time quit