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epam / Indigo

Universal cheminformatics toolkit, utilities and database search tools
http://lifescience.opensource.epam.com
Apache License 2.0
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Save/Open MDL Molfile v3000: 'Double Ciz/Trans bond' changes to 'Double bond' and lost 'Text of Absolute flag' #1029

Open Zhirnoff opened 1 year ago

Zhirnoff commented 1 year ago

Steps to Reproduce

  1. Open Ketcher

  2. Open structure
    cis_trans.zip

  3. Save as MDL Molfile v3000

  4. Open saved file or Paste from Clipboard

Expected behavior Structure looks the same as it was saved

image

Actual behavior 'Double Ciz/Trans bond' changes to 'Double bond' and lost 'Text of Absolute flag'

Indigo/Bingo version
Indigo Toolkit Version 1.10.0-rc.2.0-gba193a2b9-x86_64-linux-gnu-11.2.1

vanoprenko commented 1 year ago

Need to clarify expected behavior (save as is, show a warning, etc)