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Re: [cgal-discuss] Atoms contributing to the Connolly surface


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  • From: Nico Kruithof <>
  • To:
  • Subject: Re: [cgal-discuss] Atoms contributing to the Connolly surface
  • Date: Tue, 21 Dec 2010 10:58:09 +0100
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Not exactly, the Connolly surface is the surface obtained by rolling a ball of radius r over the union of balls. If r==0, you are right, but not if r>0.

The easiest way is to compute the regular triangulation of the balls (weighted points) with the radius increased by r. Then, if a Voronoi cell of a weighted point (ball) is not entirely contained within that ball, the ball contributes to the Connoly surface. This shouldn't be too hard to implement.

Bests,
Nico

On Tue, Dec 21, 2010 at 10:27 AM, Laurent Rineau (GeometryFactory) <> wrote:
On Tuesday 21 December 2010 09:29:41 Francois Berenger wrote:
> Hi,
>
> Using CGAL, is it easy to extract the list of atoms
> contributing to the Connolly surface for a globular
> protein?

Unless I am wrong, the Connolly surface is the skin surface with scale
factor 1.

See this chapter if you can find what you need:
 http://www.cgal.org/Manual/latest/doc_html/cgal_manual/Skin_surface_3/Chapter_main.html

--
Laurent Rineau, PhD
R&D Engineer at GeometryFactory           http://www.geometryfactory.com/
Release Manager of the CGAL Project       http://www.cgal.org/

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