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
adjShift.tcl: Adjust a Chemical Shift Table by Adding a PPM Offset

Flag Argument Default Description
 -in inName Chemical Shift Input.
 -out outName Chemical Shift Output.
 -atom atomList List of Atoms to Adjust.
 -adj adjVal PPM Adjustment to Add.
Atom Name Matching Modes:
 -exact Match Atom Name Exactly (Default).
 -glob Use glob-style Matching.
 -regexp Use Regular Expression Matching.

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last updated: Jan 22, 2009 / big frank

Contact site designer mimi at mdelaglio@hotmail.com