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The info is parsed, but not written:
In [4]: m = Chem.MolFromMolBlock(""" Mrv0541 05221412192D 2 1 0 0 0 0 999 V2000 -1.9152 1.5911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2007 2.0036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 5 0 0 0 0 M END """) In [5]: print Chem.MolToMolBlock(m) RDKit 2D 2 1 0 0 0 0 0 0 0 0999 V2000 -1.9152 1.5911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2007 2.0036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 0 0 M END In [6]: print Chem.MolToSmarts(m) [#6]-,=[#6]
The text was updated successfully, but these errors were encountered:
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The info is parsed, but not written:
The text was updated successfully, but these errors were encountered: