VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Sun May 20 2007 - 13:16:38 CDT

Mark,
  At the moment, the standard build of VMD doesn't provide a way
of using the mask volumes. We have various experimental code that
does but this hasn't been integrated into VMD yet, as we're still
working out the kinks in how VMD stores, references, and operates
on volumetric data within a molecule. Once that is complete, the
mask volumes will be able to be used to operate on other maps, for
isosurface renderings, and various other purposes. We also want to
add voxel selection capability to the atom selection language as you
mention, but that work hasn't been started yet.

  John

On Sat, May 19, 2007 at 12:01:20AM +0200, Marc Baaden wrote:
>
> Hi,
>
> I wonder how the mask-type volumetric maps work in VMD.
> My interpretation of the documentation would suggest there
> might be a magic command to apply such a mask volmap to
> another volmap. Is this documented anywhere?
>
> I also wonder whether this would be equivalent to directly
> using a selection like "water within 5 of protein" for the
> map generation (eg is this selection updated at every
> frame?).
>
> Thanks in advance,
> Marc Baaden 

-- 
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