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. ------------------------------------------------------------------------------ Everyone hates slow websites. So do we. Make your web apps faster with AppDynamics Download AppDynamics Lite for free today: http://p.sf.net/sfu/appdyn_d2d_mar _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
