[PyOpenGL-Users] Molecular graphics demo?

[Richard P. M. <rp...@wa...>]

I put together a very simple module to render balls and sticks in an 
Tk/OpenGL window called BallStickOGL.py. It's only 100 lines of code, 
and was inspired by looking through some of the other demos that were 
distributed with PyOpenGL.

Using this demo, I put together a simple molecular renderer called 
xyz_render_ogl.py. It takes another 150 lines of code, but then allows 
some pretty nice ball-and-stick pictures of molecules to be visualized.

I've attached a structure file for the protein crambin. You don't want 
to try this on a slow machine (computing all of the pairwise distances 
in python is a time-sink) but it's surprisingly fast, really (much 
faster than jmol for crambin). I also attached a screenshot of what the 
whole thing looks like, after a bit of rescaling.

I would be glad to have this demo added to the PyOpenGL demos, if the 
powers that be believe it would be helpful to other people.

Rick

-- 
Richard P. Muller, Ph.D.
rp...@wa...
http://www.wag.caltech.edu/home/rpm