BTW, the other more common use of bond symbols at ring closures is to designate cis/trans stereochemistry at a ring closure. See http://baoilleach.blogspot.com/2009/04/are-you-on-my-side-or-not-its-ez.html
- Noel 2009/11/17 Noel O'Boyle <baoille...@gmail.com>: > 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
