VMD-L Mailing List

From: Klaus Kramer (klaus.kramer_at_gmx.de)
Date: Thu Mar 06 2003 - 12:56:57 CST

Hi

I have got two questions concerning the render section of the VMD program. My
problem is
that when I render different molecules that they are not in proportion to each
other. All molecules are drawn with the SURF-Modul. When I compared the
proportion of the molecular weights of two different molecules with the
proportion of the rendered STL-Format volumes,
I realized that these proprotions are different. But I need the exact
proportion of all rendered molecules to each other. I found out that the vmd
progam render the actual OpenGL state of the current molecule, that means a
molecule has two different volumes, when I scale this molecule between two
rendering actions.
When I start the SURF program separatly from VMD with the molecule-file and
convert the triangle list given by the SURF program in a STL-file, than I get
the right proprotion between different molecule STL-files.
So is there a possibility to render a molecule in VMD with the original data
given by the SURF program?

The other problem I have, is that I want to get the color data of the atoms,
which are computed by the different coloring methods. So is there an easy way
to write a modul, which writes these color data in a colormap ?

thanks,
klaus