VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Sat Mar 08 2008 - 00:01:06 CST

Not on the DX file, but rather on the isosurface you calculated from
the volumetric data in the DX file. VMD can save the rendered scene to
various simple file formats, some of which you could probably convert
or otherwise import into programs that do Delaunay triangulations
and the like.

Cheers,
  John Stone
  vmd_at_ks.uiuc.edu

On Fri, Mar 07, 2008 at 08:46:28PM -0800, Dong Xu wrote:
> Hi John,
>
> Did you mean we could perform analysis on the output dx file? Is that
> a OpenDX format file?
>
> Thanks,
>
> Dong Xu
>
> On Fri, Mar 7, 2008 at 8:20 PM, John Stone <johns_at_ks.uiuc.edu> wrote:
> >
> > Hi,
> > There's not a built-in feature for this, but you could presumably
> > do something like a Delaunay triangulation and sum the volumes of the
> > contained tetrahedra, but there may be a better method.
> >
> > John Stone
> > vmd_at_ks.uiuc.edu
> >
> > On Fri, Mar 07, 2008 at 07:20:40PM -0800, Dong Xu wrote:
> > > Hi, I used VolMap plug-in and created an isosurface. I was wondering how to
> > > calculate the volume enclosed under the isosurface?
> > >
> > > Thanks,
> > > Dong Xu
> >
> > --
> > 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
> > 

-- 
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