Can OB handle quadruple bonds okay? 2009/11/25 Chris Morley <c.mor...@gaseq.co.uk>: > 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 >
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