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
findPDBSurf.tcl: Rough estimate of accessable surface of a protein.

Flag Argument Default Description
 -in inList ref.pdb Input PDB File List.
Output Options (Use Only One):
 -out outList surf.pdb Output PDB File List (or NONE).
 -outDir outDir None Output Directory. Output File Name Will Match Input File Name.
Notes:
  Creates new PDB files where TEMPFACTOR column is non-zero for atoms at the surface.

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last updated: Apr 20, 2011 / big frank

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