SetSeed

InfilePrefix 
// Note: the training atoms are needed for patching up chain breaks
// when reading in conformations.
InFilePrefix /projects/compbio/experiments/undertaker/atoms-inputs/
ReadTrainingAtoms dunbrack-2191.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 

ReadTargetPDB decoys/T0332.try2-opt2.pdb
NameTarget T0332

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:
InFilePrefix 1v2xA/
ReadTemplatePDB 1v2x.mmol model 1 chain A name 1v2xA
ReadTemplatePDB 1v2x.mmol model 1 chain B name 1v2xB

OutFilePrefix dimer/decoys/

InFilePrefix 1v2xA/
ReadFragmentAlignment NOFILTER T0332-1v2xA.dimer-a2m
InFilePrefix
PrintMultimerPDB 2 dimer-1v2xA-from-try2.pdb
Time