SetSeed InfilePrefix // Note: the training atoms are needed for patching up chain breaks // when reading in conformations. InFilePrefix /projects/kestrel/users/karplus/burial/undertaker/atoms-inputs/ ReadTrainingAtoms monomeric-50pc.atoms ReadRotamerLibrary dunbrack-1332.rot InFilePrefix /projects/kestrel/users/karplus/burial/undertaker/spots/ ReadAtomType pdb-name.types ReadClashTable pdb-atom-name.clash SetClashDefinition pdb-atom-name Time //Need to read in target before specific fragments or alignments can // be read, also before constraints can be defined. InFilePrefix ReadTargetPDB decoys/T0270.try2-opt2.pdb NameTarget T0270 MakeGenericFragmentLibrary Time InFilePrefix Time # If multimer is not already in pdb, but needs crystal symmetries to generate, # then fetch the "biological unit" from pdb and use the following commands: // ReadTemplatePDB 1t0t.pdb1 model 1 name 1t0tA // ReadTemplatePDB 1t0t.pdb1 model 2 name 1t0tB InFilePrefix 1t0tV/ ReadFragmentAlignment NOFILTER T0270-1t0t.5mer-a2m InFilePrefix PrintMultimerPDB 5 5mer-1t0tV-try2.pdb Time