VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Thu Jan 22 2009 - 11:33:21 CST

Hi,
  These aren't accessible via the scripting interface in existing
versions of VMD, because VMD versions 1.8.6 and earlier did not
store this information internally. The next version of VMD,
version 1.8.7 (currently in development), stores this information,
and will add new query routines for this purpose. I haven't yet added
the query routines but will let you know when this feature has been
added to a test version. I'm completing the upgrade to Tcl 8.5.x at
present, and will likely add the new query routines for angles/dihedrals/etc
shortly thereafter.

Cheers,
  John Stone
  vmd_at_ks.uiuc.edu

On Wed, Jan 21, 2009 at 04:29:54PM -0500, Maxim Paliy wrote:
> Dear VMD experts
> I want to access the lists of bonds angles dihedrals etc,
> i.e. the information normally contained in the PSF file,
> after the PSF file has been read into VMD.
>
> Sorry if this question is dumb, but I cannot find
> what variables all these data are stored in..
>
> Thanks a lot in advance for any suggestions,
> Maxim 

-- 
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