VMD-L Mailing List

From: J. Nathan Scott (scottjn_at_chemistry.montana.edu)
Date: Thu Jan 26 2012 - 11:40:08 CST

Hello all,

I've tried some Googling and looking through the plugins and manual, but
I'm guessing the visualization feature I'm looking for has a name that I
simply don't know. What I would like to do is superimpose over a trajectory
a white box where some externally sourced data is plotted, with a marker of
some sort that keeps time with the dynamics of the trajectory.

I've seen this done in talks before (though I *don't* recall if it was VMD
being used) and finally have a good reason to try this sort of
visualization with some of my own data. For instance, we calculate
excitation energies for biological chromophores, and it would be quite
helpful to watch the dynamics and see exactly what is happening to the
excitation energy as the local environment and/or chromophore structure
changes.

Can anyone tell me if such a feature is available in VMD, either natively
or through a plugin, or if not perhaps another visualization package that
has this ability?

My sincere thanks for any help you can provide! 

-- 
----------
J. Nathan Scott, Ph.D.
Postdoctoral Fellow
Department of Chemistry and Biochemistry
Montana State University