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
fixCS.tcl: Adjust a Chemical Shift Table for use in a TALOS/DYNAMO database.

Flag Argument Default Description
 -in inName csObs.tab CS Input Table.
 -out outName csAdj.tab CS Output, Adjusted.
 -pdb pdbName ref.pdb Reference PDB File.
 -sim simName csCalc.tab CS Simulation Output.
 -keep frac 0.9 Fraction for Outlier Filtering.
 -disu dist 3.0 Disulfide Bond Distance.
 -cacb Allow Seperate CA and CB Adjustments.

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last updated: Apr 20, 2011 / big frank

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