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epam / Indigo

Universal cheminformatics toolkit, utilities and database search tools
http://lifescience.opensource.epam.com
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R groups from mol/Ket files of Macro mode are broken in the Micro mode. #1853

Closed NadezhdaPeskun closed 3 months ago

NadezhdaPeskun commented 3 months ago

Steps to Reproduce

  1. Macromolecules >> Add Peptide, add Preset image

  2. Go to Micro image

  3. Go to Macro >> Save as 3000 mol file, Save as Ket file ketcher (molMacro).zip ketcher (ketMacro).zip

  4. Go to Micro >> Open 3000 mol file, Open Ket file image

Expected behavior all RNA/DNA/Peptides saved as mol/Ket files in the MACRO should be opened in the Micro mode.

Actual behavior R groups from mol/Ket files of Macro mode are broken in the Micro mode. image

Attachment

Environment details: •Version 2.20.0-rc.1 Build at 2024-03-15; 15:36:45 Indigo Toolkit Version 1.19.0-rc.1.0-g8cd9f1e27-wasm32-wasm-clang-12.0.0

Win10 Chrome Version 122.0.6261.129 (Official Build) (64-bit)

NadezhdaPeskun commented 3 months ago

Moved to Ketcher https://github.com/epam/ketcher/issues/4387