Export of CHEM-Nucleotide to HELM 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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Export of CHEM-Nucleotide to HELM is wrong #2077

Closed AlexeyGirin closed 3 months ago

AlexeyGirin commented 3 months ago

Steps to Reproduce

Go to Macromolecules mode - Flex mode
Load from file: Export of CHEM-Nucleotide to HELM is wrong.zip
Save canvas to HELM

Actual behavior Export result contains wrong chains: CHEM1{[MCC]}|RNA1{R(U)P}$CHEM1,RNA1,1:R1-1:R2$$$V2.0

Expected behavior Export result is correct: CHEM1{[MCC]}|RNA1{R(U)P}$CHEM1,RNA1,1:R1-3: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

AlexeyGirin commented 2 months ago

Fixed.

Ketcher Version 2.23.0-rc.2 Build at 2024-07-10; 19:39:22
Indigo Toolkit Version 1.22.0-rc.2.0-ga21fb5d8f-wasm32-wasm-clang-19.0.0
Windows 10 Pro
Chrome Version 126.0.6478.127 (Official Build) (64-bit)