07-20   Berichtsreihe des Mathematischen Seminars der Universität Kiel

Maharavo Randrianarivony:

Preparation of molecular surfaces for meshfree Wavelet Galerkin numerical solvers

We want to transform molecular surfaces which are in the form of Van der Waals model into a structure which is acceptable by mesh-free Wavelet solvers. In this document, we concentrate on the generation of spherical patches by using rati onal Bezier surfaces and homogeneous coordinates. Our main emphasis is that we can achieve global continuity between two patches without using approximations. Our method of attaining exact global continuity is based on the generalized stereogra phic projection.

In that way, a spherical patch with circular boundaries can be exactly determined in a linear setting. Since we need parametric representations, we describe briefly the various steps to convert the initial CSG representation into B-Rep structure. In addition to theoretical descriptions, we report on the practical decompositions of a few molecular surfaces.

Keywords: Rational Bezier, spherical patches, stereographic, molecular surfaces, Wavelet Galerkin

Mail an Jens Burmeister
[Thu Feb 19 18:56:37 2009]
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