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Some query bonds are replaced with Single bond after converting Mol into SMILES-format

Open AndreiMazol opened this issue 4 years ago • 1 comments

Steps to reproduce:

  1. Create Mol file that contains the following types of bonds: 5, 6, 7, 8 (or use mol_example.zip)
  2. Convert created Mol file into Extended SMILES by calling /v2/indigo/convert.
  3. Convert generated SMILES file into Mol format by calling /v2/indigo/layout
  4. Compare original and generated Mol files.

Expected result:

Bond types from original model are equal to bond types from generated model.

Actual result:

Bond types 5, 6, 7, 8 in resulted model are replaced by 1.

AndreiMazol avatar Nov 30 '20 14:11 AndreiMazol

Link to original issue

AndreiMazol avatar Nov 30 '20 14:11 AndreiMazol