基于gpu的范德华曲面三角剖分

Sérgio Dias, A. Gomes
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引用次数: 3

摘要

本文讨论的问题是在不计算原子几何交点的情况下对范德华表面进行三角剖分。回想一下,范德华表面在计算分子生物学和生物化学中很有用,例如,它可以确定分子所占的体积,以及其他重要的几何性质。假设每个原子都用一个球来表示,这相当于计算若干个球的并集表面。该方法的新颖之处在于避免了两个或多个球的表面-表面相交(SSI)的计算。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
GPU-based triangulation of the van der Waals surface
The problem addressed in this paper consists in triangulating the van der Waals surface without computing the geometric intersections of its atoms. Recall that the van der Waals surface is useful in computational molecular biology and biochemistry to, for example, determine the volume occupied by a molecule, as well as other important geometric properties. Assuming that every atom is represented by a ball, this amounts to compute the surface of the union of a number of balls. The novelty of our method lies in avoiding the computation of surface-surface intersections (SSI) of two or more balls.
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