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 pdb-name.types # ReadClashTable pdb-1332-2symm.clash # SetClashDefinition pdb-2symm ReadAtomType exp-pdb.types ReadClashTable exp-pdb-1332-2symm.clash SetClashDefinition exp-pdb-2symm Time //Need to read in target before specific fragments or alignments can // be read, also before constraints can be defined. InFilePrefix ReadTargetSeq T0272.a2m NameTarget T0272 // Now have a random conformation---use PopConform if you don't want it. PopConform Time // include best previously found decoys! InFilePrefix decoys/ OutfilePrefix decoys/ // include read-pdb.under InFilePrefix ReadConformPDB T0272.t2k.undertaker-align.pdb model 1 PrintConformSheets align1.sheets PrintConformHelices align1.helices ReadConformPDB T0272.t2k.undertaker-align.pdb model 2 PrintConformSheets align2.sheets PrintConformHelices align2.helices ReadConformPDB T0272.t2k.undertaker-align.pdb model 3 PrintConformSheets align3.sheets PrintConformHelices align3.helices ReadConformPDB T0272.t2k.undertaker-align.pdb model 4 PrintConformSheets align4.sheets PrintConformHelices align4.helices ReadConformPDB T0272.t2k.undertaker-align.pdb model 5 PrintConformSheets align5.sheets PrintConformHelices align5.helices ReadConformPDB T0272.t2k.undertaker-align.pdb model 6 PrintConformSheets align6.sheets PrintConformHelices align6.helices ReadConformPDB T0272.t2k.undertaker-align.pdb model 7 PrintConformSheets align7.sheets PrintConformHelices align7.helices ReadConformPDB T0272.t2k.undertaker-align.pdb model 8 PrintConformSheets align8.sheets PrintConformHelices align8.helices Time quit