CGAL users discussion list

[Francois Berenger <>]

Nico Kruithof wrote:
> 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 rolling probe sphere should represent a solvent molecule in my case 
(water).

> 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.

I see. In fact, the dot surface should be OK for me, I don't really need 
the Connoly surface in fact.
I think I will do this outside of CGAL if it does not include such
high level constructs as molecule.get_dot_suface() or 
molecule.get_Connoly_suface().

Regards,
F.

> Bests,
> Nico
>
> On Tue, Dec 21, 2010 at 10:27 AM, Laurent Rineau (GeometryFactory) 
> < 
> <mailto:>> 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/
>
>     --
>     You are currently subscribed to cgal-discuss.
>     To unsubscribe or access the archives, go to
>     https://lists-sop.inria.fr/wws/info/cgal-discuss