Geometric molecular surface modeling using mathematical morphology operators. Journal of Molecular Graphics Volume 13, Issue 6, Pages 331- 388 (December 1995) : 331-336. Masato Masuya and Junta Doi
Geometric molecular surface modeling using mathematical morphology operators. Journal of Molecular Graphics Volume 13, Issue 6, Pages 331-388 (December.
Dec 21, 2015
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Geometric molecular surface modeling using
mathematical morphology operators.
Journal of Molecular Graphics Volume 13, Issue 6, Pages 331-388 (December 1995) : 331-336. 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
Cf = SIm ● R
Remove small cavities smaller than a water molecule (Rw):
Cf filled molecule
( )f cmC C SI
Cavities:
Pr = SIm ○ R
( )r cmP SI P
Remove small convex parts (Rw):
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