20
Simple way to calculate Voronoi volume
- Put all points in system on grid.
- Go to each grid-point (i.e. voxel) and add its volume to
the atom center to which it is closest.
- Make this faster by
randomly sampling grid-points.
- Useful approach for high-dimensional integration -- 20D
Voronoi diagrams.
Talk on Surfaces and Volumes /
(C) Mark Gerstein (mbg@hyper.stanford.edu) /
May 1996