Does [!#1] work? On 12 September 2016 at 09:23, Gravestock David GBJH < david.gravest...@syngenta.com> wrote:
> Good day, > > > > I wonder if somebody could help me with the construction of a SMARTS > pattern? > > > > How does one specify a non-hydrogen atom? For example, when I use > [CH3]C([!H])=O to specify the generalised molecule below where A = any > non-hydrogen atom I don’t get back the correct results. > > > > > > The [!H] seems to specify that the atom does not have one further H atom. > > > > Regards, > > David > ------------------------------ > > *Syngenta Limited, Registered in England No 2710846; Registered Office : > Syngenta, Jealott's Hill International Research Centre, Bracknell, > Berkshire, RG42 6EY, United Kingdom* > ------------------------------ > *This message may contain confidential information. If you are not the > designated recipient, please notify the sender immediately, and delete the > original and any copies. Any use of the message by you is prohibited.* > > ------------------------------------------------------------ > ------------------ > > _______________________________________________ > OpenBabel-discuss mailing list > OpenBabel-discuss@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/openbabel-discuss > >
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