using the recent release,

m = Chem.MolFromSmiles("N[C@@H](C)C(=O)O")
m2 = Chem.MolFromSmiles("N[C@@H](C)C(=O)O")

The two molecules above seem identical - MolFromSmiles already performs a
sanitization so why wouldn't they be?  They produce the same pickle,

pickle.dumps(m) == pickle.dumps(m2)


So why do they get treated differently by the drawing code? The only way to
return m2 to its original state is to run AssignStereoChemistry with force
= True.  What variable is being thrown off by SanitizeMol?

[image: Inline image 1]

Jason Biggs
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