Molecular Surface Mesh Generation by Filtering Electron Density Map

Figure 5

Value of the density map before (continuous gray line) and after (dashed black line) filtering at a point belonging to both the SES and the VdWS, 𝑐₁ (a) a point belonging to the SES but not the VdWS, 𝑐₂ (b) and a point outside the molecule, 𝑐₁ (c) (see Figure 4). 𝑡=1, so, when 𝑟=3, conditions (5) are satisfied.

(a)

(b)

(c)