VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Fri Sep 16 2005 - 21:03:41 CDT

Dan,
  The way that Surf and MSMS operate, each triangle facet or vertex
(facet for Surf, vertex for MSMS) is associated with a particular atom.
Once loaded into VMD, these surfaces are colored based on the atom they
are associated with. There's no way to directly access the mesh data nor
the atom tags associated with the surface from the atom selection language
at this time. What are you interested in doing with the atom tags and/or
surface data?

  John Stone
  vmd_at_ks.uiuc.edu

On Fri, Sep 16, 2005 at 08:44:53PM -0400, Dan Strahs wrote:
>
> Hello all:
>
> Surfaces generated with MSMS and SASA are associated with tags that
> identify the atoms to which these surfaces belong.
>
> So some questions:
>
> 1) Is every surface element associated with only one atom?
> 2) Are there keywords to access the surface elements for a given
> atom selection?
>
> Thanks!
>
> Dan Strahs 

-- 
NIH Resource for Macromolecular Modeling and Bioinformatics
Beckman Institute for Advanced Science and Technology
University of Illinois, 405 N. Mathews Ave, Urbana, IL 61801
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