VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Mon May 12 2003 - 15:37:44 CDT

Dear Knut,
  At present we don't have a file reader plugin for the file format
you're interested in, however someone could probably write one without
much difficulty. If you're interested in writing one, I can help get
you started. The easiest method for writing a new file reader plugin
is to take one of the existing ones as a template, replacing the
existing code with new code for the format you're reading. For your
purposes, the dcdplugin.c code is probably the best starting point.
If you don't feel comfortable writing C code, then I can add this
to our wish list and we might be able to get to this in a month or
two. If you're in a hurry, then it shouldn't be too hard to write
a plugin yourself, and with our assistance you could probably get it
working in a few days if you've done any C/C++ coding before. If anyone
else wants to volunteer, I'm happy to help get this moving. I'll extend
the same offer to anyone that would be interested in writing (or improving)
plugins for any other file format...

Thanks,
  John Stone
  vmd_at_ks.uiuc.edu

On Sat, May 10, 2003 at 04:11:23PM +0200, Knut Teigen wrote:
> Dear VMD experts,
>
> I am running MD simulations with the discover module under InsightII. Is it
> possible to read a discover trajectory (i.e. a .his file) directly into VMD?
>
> The only way I am able to visualize my trajectories in VMD is to first
> generate a pdb file for every frame in the trajectory using InsightII (one
> by one...). However, this is a very tedious procedure, and it would be much
> less time consuming if I could read the trajectory directly into VMD or
> convert the discover trajectory to some other format that VMD will accept.
>
> Kind regards
> Knut Teigen
>
> PhD student
> Dept. of Biochemistry and Molecular Biology
> University of Bergen
> Norway 

-- 
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