VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Tue Nov 27 2007 - 13:53:24 CST

Vincent,
  To my knowledge there isn't any convenient interface into the logic
of Intersurf that would provide the means for this. You could probably
also use the Delaunay triangulation that Intersurf calculates in order to
compute both of these pieces of information however. The surface returned
by Intersurf could presumably be used to calculate an area, but this may
or may not be what you're looking for. I'd suggest starting with the Delaunay
triangulation calculations and go from there, unless someone knows of an
existing code that already does all of this.

Cheers,
  John Stone
  johns_at_ks.uiuc.edu

On Tue, Nov 27, 2007 at 08:34:40PM +0100, Vincent Wolowski wrote:
> Hello,
>
> is it possible to use Intersurf to determine the interface residues
> (for example as with PDBSum)?
> Can Intersurf give the boundary size of the interface?
> I would be very thankful for a comment.
>
> Best regards,
> Vincent 

-- 
NIH Resource for Macromolecular Modeling and Bioinformatics
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