2009/11/17 Rajarshi Guha <rajarshi.g...@gmail.com>: > > > On Tue, Nov 17, 2009 at 7:58 AM, Dmitry Pavlov <dpav...@scitouch.net> wrote: >> >> Hello Rajarshi, >> >> >> I still do not feel like I have got the idea... >> >> C1=CC=CC=C1 (another example from Daylight site) >> clearly has not implicit single bond between >> the first "C" and the "1" following it. In this >> example, the first "C" is marked with "1", and >> in example you gave (C1CC-2C1CCC-2C), > > Hmm, for the benzene case, C=1CC=CC=C1 does not seem to render properly in > Daylight, but C-1CCCCC-1 does render > >> Is it an option to put the 'ring closure digit' >> either after atom or after bond? It is documented >> somewhere? > > I haven't seen this described anywhere in the Daylight spec. As I said, my > understanding was that ring closures always come just after an atom symbol. > > However OpenSmiles does address this explicitly: > > http://www.opensmiles.org/spec/open-smiles-3-input.html#3.4 > > But it's still not clear why the benzene example fails
You need to alternate the double bonds: C=1C=CC=CC=1 works > -- > Rajarshi Guha > NIH Chemical Genomics Center > > ------------------------------------------------------------------------------ > 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 > _______________________________________________ > Cdk-user mailing list > Cdk-user@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/cdk-user > > ------------------------------------------------------------------------------ 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 _______________________________________________ Cdk-user mailing list Cdk-user@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/cdk-user
