Three-dimensional alpha shapes
ACM Transactions on Graphics (TOG)
Triangulating the surface of a molecule
Discrete Applied Mathematics - Special volume on computational molecular biology
NURBS based B-rep models for macromolecules and their properties
SMA '97 Proceedings of the fourth ACM symposium on Solid modeling and applications
Computing Smooth Molecular Surfaces
IEEE Computer Graphics and Applications
Dynamic maintenance and visualization of molecular surfaces
Discrete Applied Mathematics - Special issue: Computational molecular biology series issue IV
Fast analytical computation of Richards's smooth molecular surface
VIS '93 Proceedings of the 4th conference on Visualization '93
Guaranteed Quality Triangulation of Molecular Skin Surfaces
VIS '04 Proceedings of the conference on Visualization '04
Molecular surfaces on proteins via beta shapes
Computer-Aided Design
Triangulation of molecular surfaces
Computer-Aided Design
Computer-Aided Design
Real-time triangulation of molecular surfaces
ICCSA'07 Proceedings of the 2007 international conference on Computational science and its applications - Volume Part I
Quasi-worlds and quasi-operators on quasi-triangulations
Computer-Aided Design
Graphics processing unit-based triangulations of Blinn molecular surfaces
Concurrency and Computation: Practice & Experience
QTF: Quasi-triangulation file format
Computer-Aided Design
On the shape of a set of points in the plane
IEEE Transactions on Information Theory
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In this paper, we propose a novel surface atom extraction algorithm. By calculating the relative positions of the extended spheres, this algorithm detects all surface atoms reachable by the probe. Our algorithm overcomes the drawbacks of current methods and can be implemented in real time. This algorithm significantly improved the efficiency of calculating the solvent-excluded surface because only the values for the surface atoms are calculated instead of for all atoms. We also construct a triangular mesh model of the molecular solvent-excluded surface in terms of the surface atoms. By subdividing the saddle patches into more uniform triangular meshes, we improved the existing methods for triangulating a molecular surface composed of triangular concave spherical patches, saddle patches and convex patches. In addition, we introduce a new method that seamlessly joins saddle patches to convex patches.