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epam / ketcher

Web-based molecule sketcher
https://lifescience.opensource.epam.com/ketcher/demo.html
Apache License 2.0
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Errors occur when trying to save a macro structure connected to a micro structure in MOL V2000 format #4842

Closed Zhirnoff closed 1 month ago

Zhirnoff commented 3 months ago

Steps to Reproduce

  1. Open prepared test file file-for-test.zip
  2. Switch to Macro mode and connect macro structure to micro
  3. Press save in Micro mode (an error appears immediately) The system cannot save in the format MOL V2000 2024-06-13_20h41_05

Actual behavior Errors occur when trying to save a macro structure connected to a micro structure in MOL v2000

Expected behavior Errors do not occur when trying to save a macro structure connected to a micro structure in MOL v2000

Desktop:

Ketcher version [Version 2.22.0-rc.5] Indigo version [Version 1.21.0-rc.1]

Zhirnoff commented 3 months ago

Moved to 2.23 after discussing with team and @AlexanderSavelyev And added bug to Indigo side https://github.com/epam/Indigo/issues/2004

rrodionov91 commented 1 month ago

Error appears because in mol v2000 atom id length can NOT be more than 3 symbols in bond section. Specification - https://www.daylight.com/meetings/mug05/Kappler/ctfile.pdf It is limitation of format. Closing the ticket.