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
addFC.tcl: Insert or replace FC Force Constant Values in an NMRPipe-format Table.

Flag Argument Default Description
 -in inName Input Table.
 -out outName Output Table.
 -fc fc Default Force Constant.
Set Force Constant by ATOMNAME ATOMNAME_I ATOMNAME_J etc:
 -fcInfo fcInfo Atom Name Groups: e.g. HN,N C,N etc.
 -fcList fcList Corresponding Force Constant List.

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last updated: Jan 22, 2009 / big frank

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