Computing the volume of a union of balls: a certified algorithm

DOI10.1145/2049662.2049665MaRDI QIDQ2989140zbMATH OpenOpenAlexWikidataFDO

Authors Frédéric Cazals, Harshad Kanhere, Sébastien Loriot

Publication date 19 May 2017

Published in ACM Transactions on Mathematical Software (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1145/2049662.2049665

zbMATH Keywords

computational geometryinterval arithmeticmedial axis transformunion of ballsvolume calculation\(\alpha\)-shapesstructural biologyprotein modelingC++ designcertified numericsmacro-molecular modelsVan der Waals models

Mathematics Subject Classification ID

Numerical aspects of computer graphics, image analysis, and computational geometry (65D18) Software, source code, etc. for problems pertaining to biology (92-04) Interval and finite arithmetic (65G30) Algorithms with automatic result verification (65G20)

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(10)

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• Computing the volume of the union of spheres
• Is a finite intersection of balls covered by a finite union of balls in Euclidean spaces?
• Mathematical analysis and calculation of molecular surfaces
• Computation of the effective volumes of covalently bonded molecules
• The union of balls and its dual shape
• scientific article; zbMATH DE number 7236405 (Why is no real title available?)
• Laguerre-intersection method for implicit solvation
• A boundary-partition-based Voronoi diagram of \(d\)-dimensional balls: definition, properties, and applications
• A computer method for estimating volumes and surface areas of complex structures consisting of overlapping spheres

Describes a project that uses

Uses Software

• McVol
• Voronoia
• CRlibm
• Qsplat
• CGAL

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