Frank Delaglio, Ph.D.

19804 Maycrest Way
Germantown MD 20876 USA

301 806-0867

Scripts of the NMRPipe System
fragSA.tcl: DYNAMO Simulated Annealing Refinment of MFR Fragments.

Flag Argument Default Description
 -gmc gmcDir frag.gmc GMC Input Directory.
 -in inName fragTmp.pdb PDB Input File for Fragment.
 -out outName frag.pdb PDB Output File of Refined Fragment.
 -r1 r1 First First Residue ID to Use from Input.
 -rN rN Last Last Residue ID to Use from Input
 -ac acName None Alternate AC Constraint File.
 -tor tName None Alternate Torsion Constraint File.
 -iseed iseed 54321 Random Number Seed.
 -rem rem Remark Text to Add to Output PDB.