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-40pc-3157.rot 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 Time InFilePrefix include costfcn-init.under include try1.costfcn Time // include all previously found decoys! InFilePrefix decoys/ include read-pdb.under Time OutFilePrefix decoys/ ReportCost score-all.try1.rdb CostConform Time PrintConformBreaks all.breaks ClashConform all.clashes Time # print out the constraints, to verify that the requested ones were # actually the ones desired. # PrintConstraints quit