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-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 

 ReadTargetSeq T0315.a2m 1
 NameTarget T0315
// Now have a random conformation---use PopConform if you don't want it.
 PopConform


Time

OutfilePrefix decoys/

# put believed-to-be-best decoy first
InFilePrefix decoys/
ReadConformPDB T0315.try3-opt2.pdb
ReadConformPDB T0315.try2-opt2.repack-nonPC.pdb
ReadConformPDB T0315.try1-opt2.pdb

InfilePrefix decoys/servers/
# ReadConformPDB FOLDpro_TS2.pdb
# SCWRLConform
# NameConform FOLDpro_TS2-scwrl
# ReadConformPDB FOLDpro_TS1.pdb
# SCWRLConform
# NameConform FOLDpro_TS1-scwrl
# ReadConformPDB Zhang-Server_TS4.pdb
# SCWRLConform
# NameConform Zhang-Server_TS4-scwrl
# ReadConformPDB ROBETTA_TS4.pdb
# ReadConformPDB BayesHH_TS1.pdb
# SCWRLConform
# NameConform BayesHH_TS1-scwrl
# ReadConformPDB ROBETTA_TS3.pdb




InFilePrefix 
ReadConformPDB T0315.undertaker-align.pdb model 1
ReadConformPDB T0315.undertaker-align.pdb model 2
# ReadConformPDB T0315.undertaker-align.pdb model 3
# ReadConformPDB T0315.undertaker-align.pdb model 4
# ReadConformPDB T0315.undertaker-align.pdb model 5

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