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
torsionConvert.tcl: Convert XPLOR Torsion Input to DYNAMO Format.

Flag Argument Default Description
 -in inName XPLOR Input (Torsion Information Only).
 -tor tName Existing Torsion Input, If Any.
 -pdb pdbName Corresponding PDB (for Sequence and Atom Names).
 -seg segName Default Seg Name.
 -id firstID First Torsion ID.
 -fc fc Force Constant.
Optional Reset of Torsion Angle Range:
 -da daDegrees Replacement +/- Degrees for Angular Range.

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last updated: Apr 20, 2011 / big frank

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