On Sat, Jun 2, 2018 at 8:28 PM Nicola Zonta <[email protected]>
wrote:
>
> yes, templates are used for for complicated ring systems and some
> macrocycles. It is simple to add stuff provided that you have a way to
> write in the .mae format (I don’t know if rdkit can do that at the
> moment…that’s a question for Greg).
>
I just merged a PR that adds a MAE reader, but there is not currently a MAE
writer in the RDKit.
-greg
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