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
talos2xplor.tcl: Convert TALOS prediction output to XPLOR torsion restraints.

Flag Argument Default Description
 -in talosName pred.tab TALOS Prediction Output.
 -fc forceConst 1.0 Force Constant Value.
 -pow exp 2 Torsion Term Exponent.
 -dPhiMin pMin 0.0 Minimum Value for DPHI Input.
 -dPsiMin pMin 0.0 Minimum Value for DPSI Input.
 -f factor 2.0 Factor for +/- Angle Range.
 -keepBad Use All TALOS Predictions.
Sequence Info (Use Only One):
 -cs csName None TALOS Chemical Shift Table Input.
 -pdb pdbName None PDB Input File.

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last updated: Apr 20, 2011 / big frank

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