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
dynWrite: Write the DYNAMO table or molecular structure.

dynWrite: Write a file of the given format.
Flag Argument Default Description
 -src src Source of Data to Write.
 -out outName stdout Output Name.
 -rem remTxt Remark Text.
Output Data Types:
 -pdb PDB Data.
 -dc Dipolar Couplings.
 -cs Chemical Shifts.
 -pcs Pseudo-Contact Shifts.
 -bond Bond Distances.
 -noe NOE Distances.
 -hbond H-Bonds.
 -torsion Torsions.
 -improper Imporoper Torsions.
 -angle Angles.
 -j J Couplings.
 -ac AC Coords.
Special PDB Output Options:
 -off off Offset for Atom IDs.
 -renumber Renumber Atom IDs on Output.
 -noend Do Not Write END Record.

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last updated: Apr 20, 2011 / big frank

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