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 T0254.a2m 
 NameTarget T0254
// 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

# put believed-to-be-best decoy first
ReadConformPDB T0254.try1-opt2.pdb

InFilePrefix 
ReadConformPDB T0254.t2k.undertaker-align.pdb model 1
PrintConformSheets align1.sheets
PrintConformHelices align1.helices
ReadConformPDB T0254.t2k.undertaker-align.pdb model 2
PrintConformSheets align2.sheets
PrintConformHelices align2.helices
ReadConformPDB T0254.t2k.undertaker-align.pdb model 3
PrintConformSheets align3.sheets
PrintConformHelices align3.helices
ReadConformPDB T0254.t2k.undertaker-align.pdb model 4
PrintConformSheets align4.sheets
PrintConformHelices align4.helices
ReadConformPDB T0254.t2k.undertaker-align.pdb model 5
PrintConformSheets align5.sheets
PrintConformHelices align5.helices

Time


// Don't put superimposed models into decoys/
// since that could mess up programs that find all decoy files.
OutFilePrefix
printAllConformPDB best-models.pdb superpose 

# Can specify a set of atoms as optional arguments of printAllConformPDB
# to give initial set of atoms to align.
# Format: 	atom A7.CA	atom K252.CA	...

Time

quit