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epam / ketcher

Web-based molecule sketcher
https://lifescience.opensource.epam.com/ketcher/demo.html
Apache License 2.0
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Macro: V3000 export: living groups are displayed as side chain connections for standard presets added to canvas #3937

Closed olganaz closed 8 months ago

olganaz commented 8 months ago

Steps to Reproduce

  1. Go to 'Macromolecules'
  2. Add several RNA presets on canvas (for ex. A, C, G) and connect them with bonds.
  3. Remove the last phosphate
  4. Go to 'Open structure' -> 'Paste from clipboard'
  5. Type RNA:ACG
  6. Save to mol file
  7. Open this file in another sketcher

Actual behavior Sequences look different. The one, that was created on canvas, has explicit living groups connected to the main sequence. Chemical structure is correct for both sequences.

Expected behavior Sequences should look the same. Leaving groups should be hidden inside Sgroup.

Screenshots image

Sequence_vs_preset_on_canvas_export_v3000.zip ketcher (24).zip

Desktop (please complete the following information):

Ketcher version [e.g. v2.4.2]. Version 2.18.0-rc.2 Indigo Toolkit Version 1.18.0-rc.3.0-ge65b5cde3-wasm32-wasm-clang-12.0.0

Zhirnoff commented 8 months ago

Bug registered on the Indigo side: https://github.com/epam/Indigo/issues/1598

Zhirnoff commented 8 months ago

Bug reopened on Indigo side and moved to 1.18.0-rc.6

Zhirnoff commented 8 months ago

Moved to 1.18.0-rc.7