Re: [Open Babel] ligand surface area/ volume calculation

> 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 -

Re: [Open Babel] Please can you help me with the following question...

It is better to ask questions on the openbabel mailing list - there are more people there to answer them. On 27/03/2013 03:21, EDGAR R wrote: > I am a chemistry student. I read about your work OpenBabel and I have > some questions: > > 1. What do the numbers OpenBabel Fingerprint Program? http://