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
  325 Union Avenue #212
  Campbell CA 95008 USA


  Tel: 301 806-0867
  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: Jul 4, 2012 / big frank

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