HELM export for cycled polymer is wrong - Githubissues

epam / Indigo

Universal cheminformatics toolkit, utilities and database search tools

http://lifescience.opensource.epam.com

Apache License 2.0

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HELM export for cycled polymer is wrong #2068

Closed AlexeyGirin closed 3 months ago

AlexeyGirin commented 3 months ago

Steps to Reproduce

Go to Macromolecules mode - Flex mode
Load from file: HELM Export for cycled polymer is wrong.zip
Save canvas to HELM

Actual behavior Export result contains non-cycled polymer chain: PEPTIDE1{C.D.E.F.A}$$$$V2.0

Expected behavior Export result contains cycled polymer chain: PEPTIDE1{C.D.E.F.A}$PEPTIDE1,PEPTIDE1,1:R1-5:R2$$$V2.0

Versions

Ketcher Version 2.23.0-rc.1 Build at 2024-07-02; 08:57:41
Indigo Toolkit Version 1.22.0-rc.1.0-g2bef0ce6c-wasm32-wasm-clang-19.0.0
Windows 10 Pro
Chrome Version 126.0.6478.127 (Official Build) (64-bit)

Issue found while testing - https://github.com/epam/Indigo/issues/1188

Zhirnoff commented 2 months ago

Tested. Bug fixed. 2024-07-16_13h52_59

Desktop:

OS: Windows 11
Browser Chrome
Version 124.0.6367.79 (Official Build) (64-bit)

Ketcher version [Version 2.23.0-rc.3] Indigo version [Version 1.22.0-rc.3]