This one is a bug for sure.
On Fri, Sep 16, 2011 at 6:49 AM, Martin Guetlein <
[email protected]> wrote:
> Hi,
>
> One more smarts matching issue.
>
> [#6][#7] should match both compounds:
>
> [H]C1=C([H])C(=C([H])C(=C1([H]))S[H])[N+](=O)[O-]
> (depicted:
> http://www.daylight.com/daycgi/depict?5b485d43313d43285b485d2943283d43285b485d2943283d4331285b485d2929535b485d295b4e2b5d283d4f295b4f2d5d
> )
>
> [H]C1=C([H])C(=C([H])C(=C1([H]))S[H])N([H])[H]
> (depicted:
> http://www.daylight.com/daycgi/depict?5b485d43313d43285b485d2943283d43285b485d2943283d4331285b485d2929535b485d294e285b485d295b485d
> )
>
> but 'select smarts("[#6][#7]")' only selects atoms of the second compound.
>
> Best regards,
> Martin
>
>
> --
> Dipl-Inf. Martin Gütlein
> Phone:
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> Email:
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>
>
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--
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