gt;
> To: James T. Metz <jamestm...@aol.com>
> Cc: Rdkit-discuss@lists.sourceforge.net <rdkit-discuss@lists.
> sourceforge.net>
> Sent: Tue, Sep 19, 2017 10:13 am
> Subject: Re: [Rdkit-discuss] single SMARTS for two patterns with Boolean OR
>
> Hi
>
> Will the
ourceforge.net>
Sent: Tue, Sep 19, 2017 10:13 am
Subject: Re: [Rdkit-discuss] single SMARTS for two patterns with Boolean OR
Hi
Will the recursive SMARTS [$(C-C),$(N-N)] not do the job?
I'd parse this in English as 'an atom which is EITHER an aliphatic carbon
singly bonded to an alip
ds,
> Jim Metz
>
>
>
> -Original Message-
> From: Dante <dante.esgrimi...@gmail.com>
> To: James T. Metz <jamestm...@aol.com>
> Cc: RDKit Discuss <rdkit-discuss@lists.sourceforge.net>
> Sent: Tue, Sep 19, 2017 8:45 am
> Subject: Re: [Rdkit-discuss
l.com>
Cc: RDKit Discuss <rdkit-discuss@lists.sourceforge.net>
Sent: Tue, Sep 19, 2017 8:45 am
Subject: Re: [Rdkit-discuss] single SMARTS for two patterns with Boolean OR
Hi Jim,
Could you use the 'NOT' logical operator (!) in combination with recursive
SMARTS to eliminate the cross
Hi Jim,
Could you use the 'NOT' logical operator (!) in combination with recursive
SMARTS to eliminate the cross-matches?
Cheers,
Dante
On Tue, Sep 19, 2017 at 9:13 AM, James T. Metz via Rdkit-discuss <
rdkit-discuss@lists.sourceforge.net> wrote:
> Hello,
>
> Is it possible to write a single
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