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



NMRWish Built-In TCL Functions
dynGetDist: Get the distance between two specified atoms.

dynGetDist: Get Distance Info for Selected Atoms.
Flag Argument Default Description
 -src pdbSrc Source of Structure Data.
Pair Mode. Returns Distance Between Atom I and J:
 -atomI atomI 0 Atom Entry Location of Atom I.
 -atomJ atomJ 0 Atom Entry Location of Atom J.
Matrix Mode. Returns Upper Half of Distance Matrix:
 -id id 1 Selection ID.
 -scale s 1.0 Distance Scale Factor.
 -int Truncate Distance to Integer.
 -contact Return Only Contacts.
 -dist d 1.5 Contact Distance.
 -verb Verbose Mode ON.

[ Home ] [ Terms of Use ] [ Copyright ]
last updated: Apr 20, 2011 / big frank

Contact site designer mimi at mdelaglio@hotmail.com