VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Sat Nov 21 2009 - 01:01:15 CST

Hi,
  Axel is correct that there's not a direct way to query the positions of the
points constituting the "Points" representation. You could either use the
code in VMD in your own routine to compute these positions, or you could
export the VMD scene consisting of the points representation to one of the
model file formats supported by VMD via the File->Render menu, or the
"render" command. The points would be emitted as spheres in the scene
files generated by VMD, but you should be able to extract their centers
with some work. In both cases you'd be doing some programming work on
your side to get the point positions in a format you can use.

Cheers,
  John Stone
  vmd_at_ks.uiuc.edu

On Fri, Nov 20, 2009 at 02:23:11PM -0500, Axel Kohlmeyer wrote:
> On Thu, Nov 19, 2009 at 2:53 PM, Nuno Sousa Cerqueira <nscerque_at_fc.up.pt> wrote:
> > Hello,
> >
> > When we represent a protein with the solvent representation is it possible
> > to get the coordinates of those points?
>
> No. at least not directly.
>
> why do you need them?
>
> axel.
>
> >
> > Regards,
> >
> > Nuno Sousa Cerqueira
> >
>
>
>
> --
> Dr. Axel Kohlmeyer akohlmey_at_gmail.com
> Institute for Computational Molecular Science
> College of Science and Technology
> Temple University, Philadelphia PA, USA. 

-- 
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