Fig. 6

Molecular Surface Construction. a Dual graph of a power diagram on four atoms (graph edges shown with black lines, graph vertices shown as corners). b Sphere primitives from atoms (teal) shown with dual graph. c Atoms (transparent yellow) with one spindle (teal). d Atoms with spindles corresponding to all edges of the dual graph. e Tetrahedron primitive (teal) with atoms (yellow). f One triangle of the dual graph (bold lines, black circles) that is not between tetrahedra. g Solvent sphere (yellow) tangent to three of the atoms (teal). h New tetrahedron (teal) with corners in the center of the three atoms of the triangle and the solvent sphere (yellow). i Cup region inside the new tetrahedron and outside the solvent sphere (teal) shown with three atoms of the triangle (yellow). j Cup, shown with three adjacent spindles (teal) and three atoms of the triangle (yellow). k Finished molecular solid