VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Tue Jul 24 2007 - 23:10:06 CDT

Hi,
  You can do that using the VolMap plugin in VMD. I believe
the map type setting you want to use is "occupancy". I'm away
from VMD just now so I can't check the name, but I think that's right.

Cheers,
  John Stone
  vmd_at_ks.uiuc.edu

On Tue, Jul 24, 2007 at 10:30:43PM +0000, Cesar Luis Avila wrote:
> Dear all,
> I would like to calculate a volumetric dataset for my protein filled
> with 1 if the grid point is occupied by the molecule or 0 otherwise (ie,
> if it is void). Could you please recommend a program for doing that?
> Thanks
> Cesar 

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NIH Resource for Macromolecular Modeling and Bioinformatics
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