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
--
Rajarshi Guha
NIH Chemical Genomics Center
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