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 FALCON_TS1 PrintConformSheets falcon1.sheets PrintConformHelices falcon1.helices ReadConformPDB FALCON_TS2 PrintConformSheets falcon2.sheets PrintConformHelices falcon2.helices ReadConformPDB FALCON_TS3 PrintConformSheets falcon3.sheets PrintConformHelices falcon3.helices ReadConformPDB FALCON_TS4 PrintConformSheets falcon4.sheets PrintConformHelices falcon4.helices ReadConformPDB FALCON_TS5 PrintConformSheets falcon5.sheets PrintConformHelices falcon5.helices Time // Don't put superimposed models into decoys/ // since that could mess up programs that find all decoy files. OutFilePrefix printAllConformPDB falcon-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