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The serialization of porphyrin to mol format introduces some double bonds with bond stereo 3/either #7306

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rvianello opened this issue Mar 27, 2024 · 0 comments
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Describe the bug
Loading a structure containing a porphyrin into an RDKit molecule instance and rewriting it to mol format introduces some double bonds with bond stereo 3/either

To Reproduce

In [1]: from rdkit import Chem

In [2]: print(Chem.MolToMolBlock(Chem.MolFromMolFile('./input.mol')))

input.zip

Configuration (please complete the following information):

  • RDKit version: current tip of the master branch (I presume the issue may also affect the 2024.03.1 beta)
  • OS: Fedora 39
  • If you are not using conda: how did you install the RDKit? from source code
@rvianello rvianello added the bug label Mar 27, 2024
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