VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Thu Sep 30 2004 - 14:09:38 CDT

Konrad,
  I think I understand better what you're doing now. When you mentioned
the "API" before I thought you were meaning in an abstract sense, but now
I understand the issue that you've run into. Let me think about this and
see if there's another way I can solve your problem. One way or another
I should be able to help you out with this.

  John

On Thu, Sep 30, 2004 at 10:34:26AM +0200, hinsen_at_llb.saclay.cea.fr wrote:
> 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. 

-- 
NIH Resource for Macromolecular Modeling and Bioinformatics
Beckman Institute for Advanced Science and Technology
University of Illinois, 405 N. Mathews Ave, Urbana, IL 61801
Email: johns_at_ks.uiuc.edu                 Phone: 217-244-3349              
  WWW: http://www.ks.uiuc.edu/~johns/      Fax: 217-244-6078