Section: New Software and Platforms

BLMOL

Keywords: Automatic mesher - Molecular surface

Scientific Description

To model a molecular surface, each constituting atom is idealized by a simple sphere. First, a boundary representation (B-rep) of the surface is obtained, i.e. a set of patches and the topological relations between them. Second, an appropriate parametrization and a metric map are computed for each patch. Third, meshes of the parametric domains are generated with respect to an induced metric map, using a combined advancing-front generalized-Delaunay approach. Finally these meshes are mapped onto the entire surface.

Functional Description

Molecular surface mesher.

• Participants: Houman Borouchaki and Patrick Laug

• Contact: Patrick Laug

• URL: https://www.rocq.inria.fr/gamma/Patrick.Laug/logiciels/logiciels.html