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BetaMol: A Molecular Modeling, Analysis and Visualization Software Based on the Beta-Complex and the Quasi-Triangulation
- Authors
- Cho, Youngsong; Kim, Jae-Kwan; Ryu, Joonghyun; Won, Chung-In; Kim, Chong-Min; Kim, Donguk; Kim, Deok-Soo
- Issue Date
- Dec-2011
- Publisher
- Japan Society of Mechanical Engineers
- Keywords
- Voronoi Diagram; Quasi-Triangulation; Beta-Shape; Beta-Complex; Molecular Modeling; Molecular Visualization; Software; Computational Molecular Biology; Structural Molecular Biology
- Citation
- Journal of Advanced Mechanical Design, Systems and Manufacturing, v.6, no.3, pp 389 - 403
- Pages
- 15
- Indexed
- SCIE
SCOPUS
- Volume
- 6
- Number
- 3
- Start Page
- 389
- End Page
- 403
- ISSN
- 1881-3054
1881-3054
- 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).
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