VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Fri Jun 08 2007 - 10:38:01 CDT

Hi,
  I thought I'd chime in quickly and just say that Justin has given me
some patches some months back, and I've just been so busy that I haven't
had a chance to follow through on it yet. Most of the changes were harmless,
there were just one or two gotchas I need to check into more carefully.
I'm in the process of finishing up a paper and taking care of various
bug reports, but after these are shored up I'll be working with Justin and
any interested users to move forward on the patches that enable this
capability.

  John

On Fri, Jun 08, 2007 at 10:43:50AM -0400, Justin Gullingsrud wrote:
> Hi Harry, Axel,
>
> This is something I've been keenly interested in as well. I've
> developed a version of VMD, still somewhat experimental, in which VMD
> runs as a Python module; i.e., start a regular python session, then
> "import vmdgui" and away you go. John Stone and I are still
> discussing how we might roll this sort of feature out in such a way as
> to best meet the needs of all the VMD users. Until then, as Axel
> pointed out, you can still use the embedded python interpreter in VMD
> on the platforms for which VMD supports it.
>
> Cheers,
> Justin
>
> On 6/7/07, Axel Kohlmeyer <akohlmey_at_cmm.chem.upenn.edu> wrote:
> >On Thu, 7 Jun 2007, Harry Bullen wrote:
> >
> >harry,
> >
> >do you mean, to have VMD imported into other python
> >scripts or just use a python interpreter in VMD (instead of tcl).
> >
> >the latter has already been implemented (type 'gopython' in the
> >command line window, or use 'gopython script.py'), the former
> >is yet incomplete.
> >
> >HB> Hello, I am student working at NIST using the VMD. Several members of
> >HB> the lab really want a python module for the VMD, and have asked me to
> >
> >it would be useful to learn what kind of application
> >would be needing this. there might be alternatives.
> >
> >cheers,
> > axel.
> >
> >HB> try and build one. I noticed that their has been some work on such a
> >HB> module and I would really like to see it if at all possible.
> >HB>
> >HB> Harry Bullen
> >HB> NIST
> >HB>
> >
> >--
> >=======================================================================
> >Axel Kohlmeyer akohlmey_at_cmm.chem.upenn.edu http://www.cmm.upenn.edu
> > Center for Molecular Modeling -- University of Pennsylvania
> >Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323
> >tel: 1-215-898-1582, fax: 1-215-573-6233, office-tel: 1-215-898-5425
> >=======================================================================
> >If you make something idiot-proof, the universe creates a better idiot.
> >
> >
>
>
> --
> I speak of certain afternoons in early fall, waterfalls of
> immaterial gold, the transformation of the world, when everything
> loses its body, everything is held in suspense,
> and the light thinks, and each one of us feels himself thought by
> that reflective light, and for one long moment time dissolves, we are
> air once more...
> -- Octavio Paz, "I speak of the city" 

-- 
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