Welcome: an Introduction to this Site
NMRPipe: a Comprehensive Software System for Biomolecular NMR
Special Applications: NMR Drug Screening, Automation, and so on
Dipolar Couplings, Chemical Shifts, and Protein Structure
Miscellaneous

Frank's CV, Recent Slides, and Thesis

 

  

 

  Frank Delaglio, Ph.D.

   Software Science Consultant
  13840 Grey Colt Drive
  North Potomac MD 20878 USA

  Tel: 301 806-0867
  Fax: 301 309-8717
  E-mail: delaglio@nmrscience.com



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.


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last updated: Jan 22, 2009 / big frank

Contact site designer mimi at mdelaglio@hotmail.com