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BetaMol: Molecular Modeling, Analysis, and Visualization Software Based on the Beta-Complex Derived from the Voronoi Diagram

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6 Author(s)
Youngsong Cho ; Dept. of Ind. Eng., Hanyang Univ., Seoul, South Korea ; Jae-Kwan Kim ; Chung-In Won ; Joonghyun Ryu
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Molecular shape is one of the most critical factors that determine molecular function. To properly understand the function of a molecule, it is necessary to explore its geometric properties more effectively and efficiently in addition to its physicochemical properties. Due to the complexity of the problems in biomolecular structure, in-silico approach is inevitable for many cases and is becoming more popular. In this paper, we introduce BetaMol, a comprehensive, powerful graphics-based software for molecular modeling, analysis, and visualization. BetaMol is based on the recent theory of the beta-complex which is derived from the Voronoi diagram of spheres. The entire set of powerful features of BetaMol is completely based on a single framework of the mathematically rigorous and computationally efficient theory of beta-complex. BetaMol is implemented in the standard C++ language with the OpenGL graphics library on Windows platform. Both BetaMol and some of its important functions ported for Linux platform are freely available at Voronoi Diagram Research Center website (

Published in:

Voronoi Diagrams in Science and Engineering (ISVD), 2011 Eighth International Symposium on

Date of Conference:

28-30 June 2011