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
- 김덕수
- 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/20.500.11754/49739
- ISSN
- 1881-3054
- DOI
- 10.1299/jamdsm.6.389
- Appears in Collections:
- COLLEGE OF ENGINEERING[S](공과대학) > MECHANICAL ENGINEERING(기계공학부) > Articles
- Files in This Item:
There are no files associated with this item.
- Export
- RIS (EndNote)
- XLS (Excel)
- XML