VMD-L Mailing List

From: Harry Bullen (harry.bullen_at_nist.gov)
Date: Fri Jun 08 2007 - 08:40:36 CDT

Axel Kohlmeyer 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.
>
Yes I do mean the former, a VMD imported into other python scripts.
While I know that I can use gopython to run a python interpreter in VMD,
my mentor hear really wants to have a VMD module. Apparently, a lot of
people here have trouble installing and using VMD because it has a lot
of dependencies, and he believes that it will be easier to use and have
less dependencies. We have already discussed alternatives to doing this
and have come to the conclusion that this is the best way to go. Also,
we don't need the module to implement all of the feature of the VMD,
just atom selection, loading of files, vmdnumpy, and optionally the imd
module.
If someone could point me to so development code that would be helpfull
as even a partial solution could help us here.
> 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>
>
>