Geometric molecular surface modeling using mathematical morphology operators. Journal of Molecular Graphics Volume 13, Issue 6, Pages (December 1995) : Masato Masuya and Junta Doi
Ri - atom radius van der Waals surface Sv and its interior Iv: Rw - probe radius Solvent Accessible surface and its interior: Molecular surface and its interior:
Cavity and Convex Portion Detection
C f = SI m ● R Remove small cavities smaller than a water molecule (R w ): C f filled molecule Cavities:
P r = SI m ○ R Remove small convex parts (R w ):