Export of monomers to InChl (same for InChl AuxInfo and InChlKey) doesn't work - exception - Githubissues

epam / ketcher

Web-based molecule sketcher

https://lifescience.opensource.epam.com/ketcher/demo.html

Apache License 2.0

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Export of monomers to InChl (same for InChl AuxInfo and InChlKey) doesn't work - exception #5862

Open AlexeyGirin opened 1 month ago

AlexeyGirin commented 1 month ago

Steps to Reproduce

Go to Micro
Load from file: All type of monomers in horisontal chain and large micromolecule in the middle.zip
Save canvas to InChl (same for InChl AuxInfo and InChlKey)

Actual behavior System throws exception: Convert error! element: bad element number: 122

Expected behavior Export works fine

Versions

Ketcher Version 2.26.0-rc.5 Build at 2024-10-21; 15:27:55
Indigo Toolkit Version 1.25.0-rc.3.0-g795119115-wasm32-wasm-clang-19.0.0
Chrome Version Version 130.0.6723.59 (Official Build) (64-bit)
Win10

Found while testing - https://github.com/epam/ketcher/issues/5400