VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Thu Nov 29 2007 - 10:30:54 CST

Hi,
  There isn't a selection keyword that performs an axis-aligned bounding
box comparison, just the 'within' selection that's a radial distance. You
could write a script that does this, but a selection by itself won't do the
job unless your protein remains essentially fixed and the axis-aligned bounding
box doesn't move or change size during the simulation.

Cheers,
  John Stone
  vmd_at_ks.uiuc.edu

On Thu, Nov 29, 2007 at 10:17:51AM -0500, Pavan Ghatty wrote:
> Hello All,
>
> I was wondering if there is an easy way to select water within the x, y and
> z bounds determined by the minmax of protien for every timestep in VMD.
>
> Thank you,
> Pavan Ghatty 

-- 
NIH Resource for Macromolecular Modeling and Bioinformatics
Beckman Institute for Advanced Science and Technology
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Email: johns_at_ks.uiuc.edu                 Phone: 217-244-3349
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