VMD-L Mailing List

From: Harry Bullen (harry.bullen_at_nist.gov)
Date: Fri Jun 08 2007 - 11:03:39 CDT

Everyone, thank you for the information, I actually know what to do next
now. I'm getting a account to view the VMD source code and have a
BioCoRE account now. Also I forget about one of the most important
reason for having a python module, on of my mentors is developing a very
high level gui application that integrates a lot of other programs and
he says that having a VMD python module would allow him to include a lot
of the VMD features in it.

Thanks,
Harry
John Stone wrote:
> 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"
>>
>
>