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MDL Molfile v3000 encoding: Automatic selection of MDL Molfile v3000 encoding doesn't work if the structure contains Enhanced stereochemistry #924

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Zhirnoff opened this issue Dec 7, 2022 · 0 comments
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@Zhirnoff
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Zhirnoff commented Dec 7, 2022

Steps to Reproduce

  1. Open Ketcher

  2. Create structure with Enhanced stereochemistry (File for testing:
    Archive.zip)

  3. Open browser console

  4. Get a molfile from a structure by calling ''ketcher.getMolfile()''

  5. Check saved file format

Expected behavior
Structure is saved according to automated selected format MDL Molfile v3000

Actual behavior
Automatic selection of MDL Molfile v3000 encoding doesn't work after call ketcher.getMolfile().
Structure is saved according to automated selected format MDL Molfile v2000

Attachments
2022-12-08_14h56_30
2022-12-08_14h57_09

Indigo/Bingo version
Version 1.8.3.0-gded13d6dc-x86_64-linux-gnu-11.2.1
Additional information
The second screenshot shows that if you call ketcher.getMolfile(v3000) the structure is saved to the corresponding format.

@Zhirnoff Zhirnoff added the Bug label Dec 7, 2022
@Zhirnoff Zhirnoff added this to the indigo-1.9.0 milestone Dec 7, 2022
@Zhirnoff Zhirnoff changed the title MDL Molfile v3000 encoding: Automatic selection of MDL Molfile v3000 encoding doesn't work MDL Molfile v3000 encoding: Automatic selection of MDL Molfile v3000 encoding doesn't work if the structure contains Enhanced stereochemistry Dec 7, 2022
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