I see that a quadruple bond, $, is included in the Open Smiles Specification http://www.opensmiles.org/spec/open-smiles-3-input.html#3.2
Is there any reason why it shouldn't be implemented in OpenBabel? It's not that I need a quadruple bond, but in extending the query string in the fastsearch code I need to mark a bond in legal SMILES and then replace it when it has been converted to an OBMol. If there are no objections, I'll extend the code by adding statements for '$' analogous to ones for '#' (reading and writing). Chris ------------------------------------------------------------------------------ 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 OpenBabel-Devel@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-devel
