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 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 ReadTargetSeq T0293.a2m 1 NameTarget T0293 // Now have a random conformation---use PopConform if you don't want it. PopConform Time OutfilePrefix decoys/ InFilePrefix ReadConformPDB model1.ts-submitted ReadConformPDB model2.ts-submitted ReadConformPDB model3.ts-submitted ReadConformPDB model4.ts-submitted ReadConformPDB model5.ts-submitted InfilePrefix decoys/servers/ ReadConformPDB Zhang-Server_TS1.pdb ReadConformPDB FAMS_TS2.pdb ReadConformPDB ROBETTA_TS5.pdb ReadConformPDB SAM_T06_server_TS1.pdb InFilePrefix decoys/ ReadConformPDB T0293.try15-opt2.pdb Time // Don't put superimposed models into decoys/ // since that could mess up programs that find all decoy files. OutFilePrefix printAllConformPDB best-post.pdb superpose Time quit