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
ss.tcl: Perform Secondary Structure and Hydrogen Bond Analysis on PDB File.

Flag Argument Default Description
 -pdb pdbName ref.pdb Input PDB Name.
 -dssp Include DSSP data from stdin.
 -verb Verbose Mode ON.
Notes:
  1. For info on DSSP: W. Kabsch and C.Sander, Biopolymers 22 (1983) 2577-2637
  2. To include DSSP results as a column of the output, strip ! comments from the DSSP result, for example:
  dssp ubiq.pdb | fgrep -v \! | ss.tcl -dssp -pdb ubiq.pdb -verb

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last updated: Apr 20, 2011 / big frank

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