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 # ReadTargetPDB XXX0000.blank.pdb ReadTargetSeq XXX0000.a2m START_COL NameTarget XXX0000 PopConform # Read real conformation # Read conformation by specifying a PDB id clearIDs AddID REAL_PDB # DO READ ReadConformPDBids # ReadConformPDB XXX0000_domain.real.pdb SaveConformAsReal InfilePrefix decoys/ OutFilePrefix decoys/ include read-pdb.under Time quit