VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Tue Jan 30 2007 - 16:49:23 CST

Mikolai,
  There is indeed interest/development going on towards having VMD
runnable as a Python module rather than using a "door" in the existing
Tcl interface to run Python scripts and commands.

We've been working towaards making VMD buildable as a Python module
off and on for a while, and we're getting close to having this done in
a way that doesn't disrupt the rest of VMD.
Justin has been developing various patches to refactor the text
command interface of VMD so it can be loaded from Python and
have Python optionally be the main text interface to the program.
We've been slowly making the changes and testing the new builds to make
sure things don't break, so this is why it isn't entirely finished yet.

If people are interested in trying this out, we could make these
patches available for testing by others like yourself, in the period
before they're fully integrated into the standard VMD builds.
You'd need to build from source, but we can help you do this if you want
to try it out.

Cheers,
  John Stone
  vmd_at_ks.uiuc.edu

On Mon, Jan 29, 2007 at 02:39:00PM -0800, Mikolai Fajer wrote:
> Hello all,
>
> I am trying to get integrate VMD into some analysis scripts written in
> Python. Is there any planned development in getting VMD's
> functionality availabe within Python? I am familiar with the python
> build problems, as well as Justin's VMD module. It is particulary the
> latter case that interests me, and is there planned development in
> this direction? Thanks.
>
> --
>
> -Mikolai Fajer- 

-- 
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