VMD-L Mailing List

From: Dong Xu (d1xu_at_ucsd.edu)
Date: Sat Mar 08 2008 - 11:09:36 CST

Hi John,

Thanks for your reply. How do I save the isosurface and which file
format do you think is possibly importable to a third party mesh
genertation prorgram such as gridgen?
http://www.pointwise.com/gridgen/

Best,
Dong Xu

On Fri, Mar 7, 2008 at 10:01 PM, John Stone <johns_at_ks.uiuc.edu> wrote:
>
> 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
>