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



NMRWish Built-In TCL Functions
vSurface: Add a term to a ramachandran distribution; used to general phi/psi surfaces for chemical shifts, etc.

vSurface: Generate a Phi/Psi Surface Gaussian:
Flag Argument Default Description
 -sPtr None Pointer to Surface Value Matrix.
 -dPtr None Pointer to Surface Density Matrix.
 -val 1.0 Surface Element Value.
 -thresh 1.0e-8 Profile Threshold.
Surface Element Parameters (Use x/X, y/Y):
 -xSize 0 X-Axis Size of Surface Matrix.
 -x1 -180 X-Axis Initial Coord.
 -xn 180 X-Axis Final Coord.
 -xfw 0.0 X-Axis Full Width at Half Height.
 -x0 0.0 X-Axis Location.
Surface Types:
 -gauss Gauss Surface (Default).
 -delta Delta Surface.
 -exp Exponential Surface.

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last updated: Apr 20, 2011 / big frank

Contact site designer mimi at mdelaglio@hotmail.com