VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Mon Dec 22 2008 - 10:37:35 CST

Hi,
  The existing releases of VMD don't actually store this information,
however the new test versions of VMD 1.8.7 do, though I haven't added
query commands for it yet. If you would like to try an experimental build
with Tcl commands to access that info, let me know and I'll see what I can
do for you.

Cheers,
  John Stone
  vmd_at_ks.uiuc.edu

On Wed, Dec 17, 2008 at 09:07:16PM -0800, BIN ZHANG wrote:
> Dear all:
>
> Is there an easy way, in VMD, to get all the combination of bonds,
> angles, and dihedrals of a molecule?
> Since this information was contained in psf file, and VMD reads psf
> file, naively, I would guess VMD should store this info somewhere.
> Any suggestion is appreciated.
> Thanks a lot.
>
> Bin
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> -------------------------------------------------------------
> The tree of liberty must be refreshed from time to time with the blood
> of patriots and tyrants. 

-- 
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
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