VMD-L Mailing List

From: hinsen_at_llb.saclay.cea.fr
Date: Thu Sep 30 2004 - 03:34:26 CDT

On 30.09.2004, at 00:01, John Stone wrote:

> I see no reason from your use-cases below why you need to specify
> particular RGB values, since ultimately you are mapping scalar/vector
> quantities to a continuous range of colors.

In this particular example, yes. Another application might want to have
a red arrow indicating a rotation axis, or a green sphere indicating
something else.

I know that such cases could be handled as well in some way, but my
problem is not "how can I do this or that in a VMD script", but "how
can I map an existing API for 3D graphics to a VMD script". The API is
there (see
http://dirac.cnrs-orleans.fr/ScientificPython/ScientificPythonManual/
Scientific_42.html), with lots of code that uses it, and with multiple
backends: VRML, VMD, PyMOL, VPython, and PovRay (not published yet
because it is quite incomplete). And that API uses RGB color
specifications. All I can do is either find a way to implement this API
in terms of VMD 1.8 scripts, or drop VMD support for versions after
1.6. I'd hate to drop VMD because it's the backend that I use most,
being the only one that permits both the inclusion of molecular data
and high-quality rendering output.

> I'm trying to give you ways of accomplishing your goal using the
> features
> that exist in the version available right now, since you presumably
> need to make this picture right now.

No, I am not in a hurry. I just updated to VMD 1.8 following the
installation of a new computer, and noticed that my graphics scripts
don't work any more. I still have a machine with VMD 1.6 around, so I
am still operational.

Konrad.