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
dynEval.tcl: Evaluate Agreement Between PDB and DYNAMO Restraints.

Flag Argument Default Description
 -pdb pdbName ref.pdb Input PDB Name.
 -gmc gmcDir ref.gmc Input GMC Directory.
 -out evalDir eval Output Evaluation Directory.
 -keepDI Keep Dipolar Coupling DI Information.
 -auto Auto-Naming Mode ON (_001 _002 ...)
 -noauto Auto-Naming Mode OFF (Default).
 -ignore Ignore Seg/Chain Names.
 -noignore Use Seg/Chain Names (Default).
Override Standard Input Names:
 -tor torName Torsion Restraint Input.
 -ac acName AC Restraint Input.

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last updated: Apr 20, 2011 / big frank

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