Hi,
May I learn how I can keep stereo information in a canonical SMILES?
>>> import pybel
>>> mol = pybel.readstring('smi', 'CC(=O)/C=/CO')
>>> print mol.write('can')
CC(=O)C=CO
>>> print mol.write('smi')
CC(=O)C=CO
>>> print mol.write('fix')
CC(=O)C=CO
Thank you
Murat Keceli
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