On 09/13/2016 05:24 PM, Rich Lewis wrote:
> Hi Dimitri,
>
> 3D geometry information for rdkit `Mol`s is stored as `Conformer`s.
These can be accessed with the `GetConformer` method, which takes a
confId as an argument. If you have loaded the molecule from a mol/sdf
file, there should be a single
Hi Dimitri,
3D geometry information for rdkit `Mol`s is stored as `Conformer`s. These can
be accessed with the `GetConformer` method, which takes a confId as an
argument. If you have loaded the molecule from a mol/sdf file, there should be
a single conformer with ID 0, with the coordinates
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