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Atom Simplification and Quality T-mesh Generation for Multi-resolution Biomolecular Surfaces

机译:用于多分辨率生物分子表面的原子简化和质量T-Mesh生成

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In this paper, we present an algorithm to simplify low-contributing atoms and generate quality T-meshes for multi-resolution biomolecular surfaces. The structure of biomolecules is first simplified using an error-bounded atom elimination method. An extended cross field-based parameterization method is then developed to adapt the parametric line spacings to different surface resolutions. Moreover, an anisotropy defined from an input scalar field can also be achieved. From the parameterization results, we extract adaptive and anisotropic T-meshes for the further T-spline surface construction. Finally, a gradient flow-based method is developed to improve the T-mesh quality, with the anisotropy preserved in the quadrilateral elements. The effectiveness of the presented algorithm has been verified using several large biomolecular complexes.
机译:在本文中,我们提出了一种简化低贡献原子的算法,并为多分辨率生物分子表面产生质量T形网。首先使用误报的原子消除方法简化生物分子的结构。然后开发了一种扩展的基于横场的参数化方法以使参数线间距适应不同的表面分辨率。此外,还可以实现由输入标量字段定义的各向异性。根据参数化结果,我们提取用于进一步的T条状表面结构的自适应和各向异性T形网。最后,开发了一种基于梯度的流动的方法以提高T形网状质量,并在四边形元素中保留各向异性。已经使用几种大的生物分子复合物验证了算法的有效性。

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