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 T0482.a2m 1 NameTarget T0482 // Now have a random conformation---use PopConform if you don't want it. PopConform Time OutfilePrefix decoys/ # put believed-to-be-best decoy first InFilePrefix decoys/servers/ ReadConformPDB Zhang-Server_TS1 PrintConformSheets zhang1.sheets PrintConformHelices zhang1.helices ReadConformPDB Zhang-Server_TS2 PrintConformSheets zhang2.sheets PrintConformHelices zhang2.helices ReadConformPDB Zhang-Server_TS3 PrintConformSheets zhang3.sheets PrintConformHelices zhang3.helices ReadConformPDB Zhang-Server_TS4 PrintConformSheets zhang4.sheets PrintConformHelices zhang4.helices ReadConformPDB Zhang-Server_TS5 PrintConformSheets zhang5.sheets PrintConformHelices zhang5.helices Time // Don't put superimposed models into decoys/ // since that could mess up programs that find all decoy files. OutFilePrefix printAllConformPDB zhang-models.pdb superpose # Can specify a set of atoms as optional arguments of printAllConformPDB # to give initial set of atoms to align. # Format: atom A7.CA atom K252.CA ... Time quit