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-2191.rot Time //Need to read in target before specific fragments or alignments can // be read, also before constraints can be defined. InFilePrefix ../TR476/ ReadTargetSeq TR476.a2m 2 NameTarget TR476 // Now have a random conformation---use PopConform if you don't want it. PopConform Include costfcn-init.under Include everything.costfcn Time OutfilePrefix decoys/ InFilePrefix ../TR476/decoys/ ReadConformPDB TR476.pdb SaveConformAsReal InFilePrefix 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 10 clens 200 rmsd 0.0 log_rmsd 35 rmsd_ca 0.0 log_rmsd_ca 30 GDT 1 smooth_GDT 1 missing_atoms 0.2 InFilePrefix ../T0476/decoys/ include read-servers.under include read-pdb.under Time OutFilePrefix ReportCost TR476-compare.rdb CostConform Time quit