Re: [Jmol-developers] Changes

[E.L. W. <eg...@sc...>]

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On Friday 25 June 2004 20:25, Matt Fagan wrote:
> I was wondering about making some changes to the Jmol app.
> The current Jmol functionality seems to be targeted at
> chemistry fields, which I have absolutely no idea about.
> The changes I would like (and I'm prepared to do them
> myself), are for condensed matter physics.=20

Did you have a look at Jmol v9? That version does support condensed matter.=
=2E.
there are input for several programs, e.g. VASP and ABINIT.

> But basically,=20
> I'm not sure what aspects clash with the chemistry related
> functions.
>
> The main 2 things for me are being able to totally disable
> any kind of bond calculation,=20

Current behavior is that bonds are rebonded only if the file does not conta=
in=20
bond information.

> and making some major changes=20
> to the animation functionality (in particular, being able
> to add the animation window to the toolbar, and just step
> through the animation rather than run it).=20

Do you refer to v9 or v10 here? It's been mentioned before to have buttons =
for=20
the animation commands... like present in the animation window in v9.

> At the moment,=20
> when you run an animation, it resets all of the parameters
> (including turning the bonds back on) before running. Is
> this by design?=20

No, nothing is really that fixed. Since we do not have that many code=20
developers, we mostly act on user requests...

> Can I simply change this?=20

Yes, ofcourse... that's the beaty of open source.

And the project would welcome your patches to include them back into CVS...

Did you manage to get a CVS checkout of HEAD?

Egon

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eg...@sc...
PhD on Molecular Representation in Chemometrics
Nijmegen University
http://www.cac.sci.kun.nl/people/egonw/
GPG: 1024D/D6336BA6

"Again a chemist did something useful with a computer"
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