An algorithm for the computation and representation of van der Waals surfaces and volumes of supermolecules (several overlapping molecules) by a set of grid points originating from an equidistant lattice is described in detail. The grid points in this set belong either to the "outer" surface of the
Efficient computation of enclosed volume and surface area from the same triangulated surface representation
✍ Scribed by Ingela Nyström; George J. Grevera; Bruce E. Hirsch; Jayaram K. Udupa
- Book ID
- 118435216
- Publisher
- Elsevier Science
- Year
- 2011
- Tongue
- English
- Weight
- 1009 KB
- Volume
- 35
- Category
- Article
- ISSN
- 0895-6111
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