VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Fri Mar 23 2007 - 14:06:02 CDT

Marcela,
  If you have the constraints in some text file, you could parse the
text file with a Tcl script, and then draw your constraints as cylinders,
springs, or other geometric glyphs within VMD. You could draw something
as fancy as this...:
  http://www.ks.uiuc.edu/Research/vmd/script_library/scripts/spring/

...or you could simply draw lines, cylinders, etc.

Probably the main issue is reading in your contraints from whatever
file format you've got them in presently.

I'm sure that VMD-XPLOR would do a great job of for this type of
thing, so if you have any access to a Linux machine it may be worth
checking out Charles Schwieters combined package, since NMR work is
what it's for. Other than that, script writing is the best short-term
solution.

Cheers,
  John

On Fri, Mar 23, 2007 at 02:45:46PM -0400, Marcela Madrid wrote:
> hi,
>
> Does anybody have a script to visualize NMR constrains, or can give me a
> hint how to write one?
> Charles Schwieters has pointed me to VMD-XPLOR, but at the moment there
> is not Windows executable...
>
> Thanks! Marcela 

-- 
NIH Resource for Macromolecular Modeling and Bioinformatics
Beckman Institute for Advanced Science and Technology
University of Illinois, 405 N. Mathews Ave, Urbana, IL 61801
Email: johns_at_ks.uiuc.edu                 Phone: 217-244-3349
  WWW: http://www.ks.uiuc.edu/~johns/      Fax: 217-244-6078