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kienerj / pycdxml

Tools to automatically convert and proccess cdx and cdxml files in python
GNU General Public License v3.0
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Investigate enhanced stereo from rdkit to cdxml #14

Closed kienerj closed 2 years ago

kienerj commented 2 years ago

Check if enhanced stereo is transferred to cdxml and if not fix it.

Tracking of enhanced stereo is done in StereoGroup:

https://www.rdkit.org/docs/source/rdkit.Chem.rdchem.html#rdkit.Chem.rdchem.StereoGroup

kienerj commented 2 years ago

Feature added by 7dc5e7c79e3f8084784b990b834a179e8d5d1c1e