Triangulating the surface of a molecule

DOI10.1016/S0166-218X(96)00054-6zbMath0867.92007MaRDI QIDQ5961615

Herbert Edelsbrunner, Nataraj Akkiraju

Publication date: 25 February 1997

Published in: Discrete Applied Mathematics (Search for Journal in Brave)

Full work available at URL: http://www.elsevier.com/locate/dam

zbMATH Keywords

models for proteinsmolecular geometry

Mathematics Subject Classification ID

Computer graphics; computational geometry (digital and algorithmic aspects) (68U05) Biochemistry, molecular biology (92C40) Triangulating (57R05)

Related Items

Modeling Macromolecular Complexes: A Journey Across Scales, Approximating spheres and sphere patches, An algorithm for the intersection of quadrilateral surfaces by tracing of neighbours., A fast variational method for the construction of resolution adaptive \(C^2\)-smooth molecular surfaces, Computing the arrangement of circles on a sphere, with applications in structural biology, CAVE: A package for detection and quantitative analysis of internal cavities in a system of overlapping balls: Application to proteins, Quality meshing of implicit solvation models of biomolecular structures, Geometry-guided computation of 3D electrostatics for large biomolecules, Quality mesh generation for molecular skin surfaces using restricted union of balls, Dynamic maintenance and visualization of molecular surfaces.

Cites Work

• An incremental algorithm for Betti numbers of simplicial complexes on the 3-sphere
• Primitives for the manipulation of three-dimensional subdivisions
• The union of balls and its dual shape
• Simulation of simplicity: a technique to cope with degenerate cases in geometric algorithms
• Primitives for the manipulation of general subdivisions and the computation of Voronoi
• Three-dimensional alpha shapes