VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Thu Apr 08 2004 - 16:48:43 CDT

Miguel,
  The existing released versions of VMD don't have any built-in features
for coloring representations by volumetric data, but if you would like to
try one a pre-release version of VMD 1.8.3 that has this capability,
let me know and I'll supply you with a test version that has this coloring
capability. If you want to use the existing versions of VMD, then the
'potsurf' script. The potsurf script works by assigning potential values
to each atom using the "beta" field, it then colors it by "beta".

  John Stone
  vmd_at_ks.uiuc.edu

On Thu, Apr 08, 2004 at 10:03:00AM +0100, Miguel Ortiz Lombardía wrote:
> Hi everyone,
>
> I have a pdb and a delphi potential map ("grasp" format, read with
> the grdplugin)
>
> I can load both, and see the information in the potential map using,
> for example, the VolumeSlice or IsoSurface representations.
>
> My question is: how I do map this potential on the surface (MSMS or
> whatever) of the molecule?
>
> The script potsurf seems to use the pdb file that delphi output,
> instead of the potential map itself (but not sure about this)
>
> Thanking you in advance!
> Best regards,
>
> Miguel
> --
> Miguel Ortiz Lombardía
> email: mol_at_ysbl.york.ac.uk
> http://www.ysbl.york.ac.uk/~mol
> -----------------------------------------------------------------------
> Our business in life is not to succeed, but
> to continue to fail in good spirits. R.L. Stevenson 

-- 
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