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
j2dyn.tcl: Convert GDB J Input to DYNAMO Format.

Flag Argument Default Description
 -in inName GDB Input (RESID/J Information Only).
 -pdb pdbName Corresponding PDB (for Sequence and Atom Names).
 -seg segName Default Seg Name.
 -aK A Karplus A Parameter.
 -bK B Karplus B Parameter.
 -cK C Karplus C Parameter.
 -pK Phase Karplus Phase Parameter, Degrees.
Example Karplus Curve Values:

 J-Type   Angle   A       B      C    Phase

 coha      phi   3.72   -2.18   1.28   120
 cocb      phi   1.74   -0.57   0.25   240
 coco      phi   1.36   -0.93   0.60     0
 hncb      phi   3.06   -0.74   0.13    60
 hnco      phi   4.29   -1.01   0.00   180
 hnha      phi   7.09   -1.42   1.55   -60

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last updated: Jan 22, 2009 / big frank

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