School of Mechanical Engineering, Hanyang University, Seoul, Korea

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Voronoi Diagram Research Center

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Molecular Geometry Operating System

Molecular function is determined by molecular structure where geometry plays the most critical role. Thus, the computational understanding of molecular structure heavily involves geometric computation among spherical atoms yet the basis of developing codes is an individual effort, taking significant time and resource due to the lack of reliable library. We have thus developed and announce the MGOS (Molecular Geometry Operating System) library from which an ordinary user can build a target-specific application program for molecules with accuracy, efficiency, and convenience guaranteed. MGOS implements the Molecular Geometry theory based on the Voronoi diagram, the quasi-triangulation, and the beta-complex and provides a unified platform for any and every geometry problems in molecular world.

  • MGOS ver. 1.0 was released (2019-07-03).
    • For Linux user: click here to download.
    • For Windows user: click here to download.
        (* MGOS library for Visual studio 2017 is currently available.)
    • Manual: click here to download.
  • Papers for users:
    • Deok-Soo Kim, Youngsong Cho, and Donguk Kim, Euclidean Voronoi diagram of 3D balls and its computation via tracing edges, Computer-Aided Design, Vol. 37, No. 13, pp. 1412-1424, 2005.  
    • Deok-Soo Kim, Youngsong Cho, and Kokichi Sugihara, Quasi-worlds and Quasi-operators on Quasi-triangulations, Computer-Aided Design, Vol. 42, Issue 10, pp. 874-888, , 2010.  
    • Deok-Soo Kim, Youngsong Cho, Kokichi Sugihara, Joonghyun Ryu, and Donguk Kim, Three-dimensional Beta-shapes and Beta-complexes via Quasi-triangulation, Computer-Aided Design, Vol. 42, Issue 10, pp. 911-929, , 2010.  
    • Jae-Kwan Kim, Youngsong Cho, Roman A Laskowski, Seong Eon Ryu, Kokichi Sugihara and Deok-Soo Kim, BetaVoid: Molecular Voids via Beta-complexes and Voronoi Diagrams, Proteins: Structure, Functions, and Bioinformatics, Vol.82, No.9, pp.1829-1849, 2014.  
    • Deok-Soo Kim, Joonghyun Ryu, Hayong Shin, and Youngsong Cho, Beta-decomposition for the Volume and Area of the Union of Three-dimensional Balls and Their Offsets, Journal of Computational Chemistry, Vol. 33, Issue 13, pp. 1252–1273, 2012.  
    • Deok-Soo Kim, Chong-Min Kim, Chung-In Won, Jae-Kwan Kim, Joonghyun Ryu, Youngsong Cho, Changhee Lee, and Jong Bhak, BetaDock: Shape-priority Docking Method Based on Beta-complex, Journal of Biomolecular Structure & Dynamics, Vol. 29, Issue 1, pp. 219-242, , 2011.