[Zr;H1] this smarts pattern should match an Zirconium with hcount of
exactly one. see below for a demonstration:
m=Chem.MolFromSmiles("[ZrH]CC")
pat=Chem.MolFromSmarts("[Zr;H1]")
len(m.GetSubstructMatches(pat))
1
hope this helps,
wim
On Fri, May 19, 2023 at 12:33 AM Jarod Younker <jarod_youn...@hotmail.com>
wrote:
> I’ve got the following two smiles strings:
>
> [Zr]C
> [ZrH]
>
> The smarts string [Zr][CH3] matches [Zr]C. What’s the smarts for [ZrH]?
> I’ve tried [Zr][H]. It does not match.
>
> Sent from my iPhone
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