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 conformer with ID 0, with the coordinates from the file. `Conformer`s have a `Is3D` method, which *should* do what you want.
It does. "There's conformer[0]" is the bit I was missing. It seems to be there for 2D MOLs as well with Is3D() -> False. Thank you. -- Dimitri Maziuk Programmer/sysadmin BioMagResBank, UW-Madison -- http://www.bmrb.wisc.edu
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