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
dynGetAtomInfo: Get the parameters associated with an atom, such as atom name, residue name, and coordinates.

Flag Argument Default Description
 -src ptrVal Source of Structure Data.
 -atomEntry loc 0 Location of Atom Entry.
 -verb vLevel 0 Verbose Mode Level.
 -dyn Append DYNAMO dynamics values.
Return List Contents:
  Level 0: x y z selectID
  Level 1: resID resName atomName chain seg atomID
  Level 2: tempFactor charge occupancy
  Level 4: chargeStr
  DYNAMO: Fx Fy Fz Vx Vy Vz

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last updated: Apr 20, 2011 / big frank

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