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From: Peter <pro...@gm...> - 2013-03-25 20:15:22
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Is there a way to calculate accessible surface area (ASA) or solvent-accessible surface area (SASA) or van der Waals Volume in OpenBabel for a given ligand 3D conformation. Topological polar surface area (TPSA) is a predicted 2D property, while I am looking for something 3D. Thanks. -- View this message in context: http://forums.openbabel.org/ligand-surface-area-volume-calculation-tp4656104.html Sent from the General discussion mailing list archive at Nabble.com. |