On 06/29/2013 02:33 AM, Geoffrey Hutchison wrote: >> Where can I find in the open babel source >> code the conversion table from atom type to mass? > > Well you don’t really care much about the atom type -- you care about the > element. I mean, an aromatic nitrogen is still a nitrogen. > > So I'm a bit confused what you want. Do you want example code on how to get > the mass of an atom?
Yes, example code would help. Francois. ------------------------------------------------------------------------------ This SF.net email is sponsored by Windows: Build for Windows Store. http://p.sf.net/sfu/windows-dev2dev _______________________________________________ OpenBabel-Devel mailing list OpenBabel-Devel@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-devel
