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
dynSurface: Compute the solvent-accessible surface.

Flag Argument Default Description
 -src pdbSrc Source of Structure.
 -r rad 1.4 Radius of Surface Probe.
 -v cVal rad Value Recorded for Contacts.
 -cube cubeSize 1.0 Size of Indexing Cube.
 -tol probeTol 0.1 Tolerance for Overlap Test.
 -step stepSize 0.1 Step Size for Probe.
 -keep No Keep existing exposed info.
 -noset No Keep existing selection info.
Notes:
  0. Returns: mass area volume
  1. The contact information will be stored in the temperature factor entries of the PDB table.
  2. This command resets the select ID of all atoms.

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last updated: Apr 20, 2011 / big frank

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