Preview: Reaction with unsplit monomer couldn't be saved to RXN V2000 format - Githubissues

epam / Indigo

Universal cheminformatics toolkit, utilities and database search tools

http://lifescience.opensource.epam.com

Apache License 2.0

314 stars 103 forks source link

Preview: Reaction with unsplit monomer couldn't be saved to RXN V2000 format #2038

Closed AlexeyGirin closed 3 months ago

AlexeyGirin commented 4 months ago

Steps to Reproduce

Go to Macromolecules mode - Flex mode
Open RNA tab - Nucleotides section
Put any monomers from that section to the canvas (it was 5AmdA in my case)
Switch to Micro mode
Add Arrow to make a reaction
Press Save button (to save to RXN V2000)

Actual behavior System throws an error: Convert error! molfile saver: internal: template atom is not supported in V2000 format

Expected behavior No exception. Save works as intended

Versions

Ketcher Version 2.22.0-rc.2 Build at 2024-06-28; 05:30:15
Indigo Toolkit Version 1.22.0-dev.2.1-gd5637f75-wasm32-wasm-clang-12.0.0
Windows 10 Pro
Chrome Version 126.0.6478.127 (Official Build) (64-bit)

Issue found while testing - https://github.com/epam/ketcher/issues/4382

Zhirnoff commented 3 months ago

Tested. Bug fixed. The file can be saved in RXN V2000 format and loaded. 2024-07-16_13h56_02

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]