MolSurfComp: MolSurfComp is a Matlab package for molecular surface computation, in particular, for the solvent excluded surface (SES). It allows to compute all SES-singularities a priori, which is based on a new Voronoi-type diagram of balls.
References in zbMATH (referenced in 1 article )
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- Duan, Xianglong; Quan, Chaoyu; Stamm, Benjamin: A boundary-partition-based Voronoi diagram of (d)-dimensional balls: definition, properties, and applications (2020)