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BetaMol: A Molecular Modeling, Analysis and Visualization Software Based on the Beta-Complex and the Quasi-Triangulation

Title
BetaMol: A Molecular Modeling, Analysis and Visualization Software Based on the Beta-Complex and the Quasi-Triangulation
Author
김재관
Keywords
Voronoi Diagram; Quasi-Triangulation; Beta-Shape; Beta-Complex; Molecular Modeling; Molecular Visualization; Software; Computational Molecular Biology; Structural Molecular Biology
Issue Date
2012-04
Publisher
Japan Society Mechanical Engineers
Citation
Journal of Advanced Mechanical Design, Systems and Manufacturing, Apr 2012, 6(3), P.389-403
Abstract
Molecular shape is one of the most critical factors that determines molecular function. Therefore, it is frequently desirable to understand geometric characteristics of a molecule more precisely and efficiently. In this paper, we introduce the BetaMol, a molecular modeling, analysis, and visualization software based on the recent theory of the beta-complex and the quasi-triangulation that are derived from the Voronoi diagram of three-dimensional spherical atoms. The powerful features of the BetaMol are solely based on a unified, single framework of the mathematically rigorous and computationally efficient beta-complex theory. The BetaMol is implemented in the standard C++ language with OpenGL graphics library and freely available at Voronoi Diagram Research Center web site (http://voronoi.hanyang.ac.kr).
URI
https://www.jstage.jst.go.jp/article/jamdsm/6/3/6_3_389/_articlehttp://hdl.handle.net/20.500.11754/49734
ISSN
1881-3054
DOI
10.1299/jamdsm.6.389
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ETC[S] > 연구정보
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