Figure 1
(a) An example of a two-dimensional Voronoi diagram. The lines are parts of the perpendicular bisectors of the neighboring points and are good approximations for paths that maximize the minimal distance to points. (b) The same Voronoi diagram in a molecular interpretation. The points represent the atoms depicted in blue. The lines are paths with maximal distance to atom centers. The yellow line marks a potential channel with a certain minimum distance to the atoms. The edge radius is illustrated for edge e = (va, vb). re is the minimal distance of e to its closest atom center. For a molecular representation, re is reduced by ru, resulting in the minimal distance to an atom surface. |