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
dynRotate: Apply a 3D rotation to the given molecular structure.

Flag Argument Default Description
 -src pdbSrc Source of Structure.
 -id selectID 1 Atom Selection to Transform.
 -all Select and Transform All Atoms.
 -inv Inverse Transform.
 -verb Return Transform Matrix.
 -center Translate to Center Afterwards.
 -rx rx 0.0 X-Axis Rotation (also: -psi).
 -ry ry 0.0 Y-Axis Rotation (also: -theta).
 -rz rz 0.0 Z-Axis Rotation (also: -phi).

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last updated: Apr 20, 2011 / big frank

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