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 T0290.a2m 1
 NameTarget T0290
// Now have a random conformation---use PopConform if you don't want it.
 PopConform


Time


OutfilePrefix decoys/
// include read-pdb.under

InFilePrefix 
ReadConformPDB model1.ts-submitted
ReadConformPDB model2.ts-submitted
ReadConformPDB model3.ts-submitted
ReadConformPDB model4.ts-submitted
ReadConformPDB model5.ts-submitted

# best according to evaluation *after* results known
InFilePrefix decoys/servers/
ReadConformPDB ROBETTA_TS2.pdb
ReadConformPDB Zhang-Server_TS5.pdb
ReadConformPDB Sparks2_TS5.pdb
ReadConformPDB 3Dpro_TS2.pdb
ReadConformPDB FUGMOD_TS1.pdb
ReadConformPDB SAM_T06_server_TS1.pdb
SCWRLConform
NameConform SAM_T06_server_TS1-scwrl



Time


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