> Is there a way to calculate accessible surface area (ASA) or > solvent-accessible surface area (SASA) or van der Waals Volume in OpenBabel
At the moment, no. I believe ChemKit, among other toolkits does allow this: http://wiki.chemkit.org/Features Hope that helps, -Geoff ------------------------------------------------------------------------------ Own the Future-Intel® Level Up Game Demo Contest 2013 Rise to greatness in Intel's independent game demo contest. Compete for recognition, cash, and the chance to get your game on Steam. $5K grand prize plus 10 genre and skill prizes. Submit your demo by 6/6/13. http://p.sf.net/sfu/intel_levelupd2d _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
