Hi James,
it looks like that's caused by the ambiguity between single and aromatic
bond, as the type of connecting bonds is not specified.
Specifying that all bonds should be aromatic seems to solve the problem:
tsmi = ('[cH:1]:1:[cH:2]:[c:3]([F:4]):[n:5]:[cH:6]:[cH:7]:1'
Hi,Sorry to repost this - I posted it last week but no response and I have not
been able to solve it since. The problem is GetReactingAtoms is getting many
more atoms than I expected to get - any help would be much appreciated.
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