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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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Macro: LR sugar from the Ligrary is not possible to load from MOL file #3818

Closed AlexeyGirin closed 8 months ago

AlexeyGirin commented 9 months ago

Steps to Reproduce

  1. Switch to Macromolecules view
  2. Put LR sugar on the canvas image
  3. Save to mol file
  4. Load from mol file

Actual behavior System throws exception: Convert error! Given string could not be loaded as (query or plain) molecule or reaction, see the error messages: 'stereocenters: stereo types of the opposite bonds mismatch near atom 1', 'RXN loader: bad header ', 'RXN loader: bad header ', 'stereocenters: stereo types of the opposite bonds mismatch near atom 1'

Load from ket - works fine

Expected behavior Load works fine

Desktop (please complete the following information):

Ketcher version Version 2.17.0-rc.2 Build at 2023-12-27; 13:44:29

Indigo Toolkit Version 1.17.0-rc.3.0-g1a7f60990-wasm32-wasm-clang-12.0.0

rrodionov91 commented 9 months ago

Indigo issue: https://github.com/epam/Indigo/issues/1465

Zhirnoff commented 9 months ago

test added to automation table

Zhirnoff commented 8 months ago

Tested. Fixed.