From: Axel Kohlmeyer (
Date: Fri May 22 2009 - 10:05:14 CDT

On Fri, 2009-05-22 at 00:08 -0700, Rob wrote:
> Hello,

hello rob,

> I'm using ABINIT code ( for my simulations
> and I like to use VMD for the visualization.
> I don't think there is already a plugin that automates the visualisation
> of abinit output files. Is that right?

you are partially correct. there is no plugin for the native file
formats, but as far as i know, abinit can produce output suitable
for OpenDX and XCrysDen and those (.dx and .xsf/.xaxsf) are supported
in several variants.

> If it's not there yet, I may try to code a plugin for abinit.
> Is there some help docs on how to code the plugins?

the best way to start, is to modify a plugin that does already
something similar for a similar software. but then there is also
the plugin programmer's guide at:

in VMD 1.8.7 the molfile plugin API was significantly expanded.
depending on what information you want to hand over to VMD,
you should start working off the CVS version.

there is also currently work in progress to improve the interface
to CPMD to particularly include wavefunction data (from projection
on atomic orbitals) and that may be an interesting starting point
(once i get it finished, that is). we can discuss it off-list
(perhaps including john) if you are seriously interested.


> -----------------------------------------------------------------
> While at this:
> I strongly believe that the list of "file types" is getting far too long.
> It would be so much better if this list is configurable per user.
> The average user only needs a few input file types, depending on
> his/hersimulation software; no need to always have to select from
> an ever growing list of obscure input file types.
> Like in my case: I use VASP and ABINIT; so I would curtail
> this list to only give me VASP and ABINIT file types.
> Regards,
> Rob.

Axel Kohlmeyer
   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.