> Is there a way to get the atomic type(symbol C for Carbon, N for Nitrogen > etc..) without the extra information?
You're looking for: etab.GetSymbol(atom->GetAtomicNum()) This turns the atomic number into the element symbol using the element table. Cheers, -Geoff ------------------------------------------------------------------------------ Create and publish websites with WebMatrix Use the most popular FREE web apps or write code yourself; WebMatrix provides all the features you need to develop and publish your website. http://p.sf.net/sfu/ms-webmatrix-sf _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
