epam / Indigo

Universal cheminformatics toolkit, utilities and database search tools
http://lifescience.opensource.epam.com
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Exporting a CDX file to ChemDraw loses information about charge on atoms #2000

Closed Zhirnoff closed 1 week ago

Zhirnoff commented 2 weeks ago

Summary Exporting a CDX file to ChemDraw loses information about charge on atoms

Steps to Reproduce

  1. Put on the canvas following SMILE: N#Cc1ccccc1.O=C([O-])O.[Na+]>>C#Cc1ccccc1
  2. Save to CDX format file
  3. Open it in ChemDraw

Expected behavior Exporting a CDX file to ChemDraw does not lose information about charge on atoms 2024-06-12_14h37_38

Actual behavior Exporting a CDX file to ChemDraw loses information about charge on atoms 2024-06-12_14h37_13

Attached saved in Ketcher CDX file: ketcher (21).zip

Desktop:

Ketcher version [Version 2.22.0-rc.4] Indigo version [Version 1.21.0-rc.1]

AlexeyGirin commented 1 week ago

Fixed. image