Paper Info
Title
Molecular Geometry and BULL!
Abstract
Geometric properties are critical for the function of molecules consisting of atoms which are usually modeled as a set of spheres in 3D. We propose \"Molecular Geometry\" which is a theoretical framework of computational understanding of the geometry of molecules in the claim that most, hopefully all, molecular structure problems can be effectively and efficiently facilitated by the \"geometrization\" of the problem at hand. We also report BULL!, the molecular geometry engine based on the Voronoi diagram of spheres, the quasi-triangulation, and the beta-complex. Being a program implemented in C++, application programmers can simply call API-functions of BULL! to create application programs correctly, efficiently, and conveniently. The BULL! engine, which will be freely available from the Voronoi Diagram Research Center at Hanyang University, is designed so that application programs are completely independent of future modifications and improvements.
Year
DOI
Venue
2014
10.1109/CW.2014.43
CW
Keywords
DocType
Citations 
application program interfaces,hanyang university,molecular shape, molecular structure, voronoi diagram of atoms, quasi-triangulation, beta-complex, application program interface, geometric engine, c++,beta-complex,molecular structure,physics computing,voronoi diagram of atoms,geometric engine,voronoi diagram-of-atoms,voronoi diagram research center,computational geometry,molecular geometric properties,api-functions,molecular geometry engine,application program interface,molecular shape,c++,molecular configurations,geometrization,quasi-triangulation,quasitriangulation,object-oriented programming,bull,spheres
Conference
0
PageRank 
References 
Authors
0.34
7
7
Name
Order
Citations
PageRank
Youngsong Cho125022.15
Jae-Kwan Kim200.34
Joonghyun Ryu314814.39
Mokwon Lee4114.55
Jehyun Cha553.15
Chanyoung Song632.78
Deok-Soo Kim763359.12