Dear Andrew,
Thank you!
And for this one C[C@@]12CC[C@@](C)(CC1)O2O any idea
Cause your tool failed too.
BR,
Guillaume
Le 16.04.18 16:22, « Andrew Dalke » <da...@dalkescientific.com> a écrit :
If you try this out with my smiview package, available from
https://bitbucket.org/dalke/smiview/downloads/ , it reports:
% smiview 'C\(C(C)C)=N/O'
Cannot parse --smiles: Unexpected term
C\(C(C)C)=N/O
^ Tokenizing stopped here
A bond must be followed by an atom, closure.
That is, the bond symbol '\' may not be followed by a branch. (And I should
improve that error message so it's more explicit.)
I think you are looking for the SMILES "C(\C(C)C)=N/O".
Andrew
da...@dalkescientific.com
> On Apr 16, 2018, at 16:15, Guillaume GODIN
<guillaume.go...@firmenich.com> wrote:
>
> Dear All,
>
> Anyone know why this smile is not parse correctly ?
>
> C\(C(C)C)=N/O
>
> Best regards,
>
> Guillaume
>
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