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
dynSetPhiPsi: Set the protein backbone angles phi C(i-1) N(i) CA(i) C(i) and psi N(i) CA(i) C(i) N(i+1) for the selected residues.

Flag Argument Default Description
 -src pdbSrc Source of Structure Data.
 -res resList Residue ID List.
 -chain cName Chain Name.
 -seg sName Segment Name.
 -phi phiList Phi Angles, Degrees.
 -psi psiList Psi Angles, Degrees.
 -store Store New Coords (Default).
 -nostore Don`t Store New Data.
Notes:
  The Phi(i) Torsion is Defined as: C(i-1) N(i) CA(i) C(i)
  The Psi(i) Torsion is Defined as: N(i) CA(i) C(i) N(i+1)

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last updated: Apr 20, 2011 / big frank

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