Comments (1)
Thanks for raising this – certainly a bug. rdkit_conf_gen_is_fine
is public so autodE conformer generation can be used when RDKit also works (docs) and there's no test that it works the other way round.
Would be a nice feature to be able to override the rather opinionated choices. I'd vote having Config.molecule_conformer_method
as an enum of {Default, RDKit, autodE}
– what do you think?
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