On Nov 25, 2009, at 12:36 PM, Chris Morley wrote: > I think OB can handle quadruple bonds, in as much as you can set a > bond order to 4. Bond order 5 is used for aromatic bonds. (MDL mol > files use 4 for aromatic).
I think for MolCore/OB3, we have to remove this "aromatic bond is 5" idea. It's possible to have bond orders of 4, 5, and 6 in certain compounds. As to Chris' question, I think we should definitely support $ in SMILES. Cheers, -Geoff ------------------------------------------------------------------------------ Let Crystal Reports handle the reporting - Free Crystal Reports 2008 30-Day trial. Simplify your report design, integration and deployment - and focus on what you do best, core application coding. Discover what's new with Crystal Reports now. http://p.sf.net/sfu/bobj-july _______________________________________________ OpenBabel-Devel mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/openbabel-devel
