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epam / Indigo

Universal cheminformatics toolkit, utilities and database search tools
http://lifescience.opensource.epam.com
Apache License 2.0
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Topology labels from ChemDraw don't visible in the Ketcher or visible as different #1807

Open NadezhdaPeskun opened 3 months ago

NadezhdaPeskun commented 3 months ago

Steps to Reproduce

  1. CDX file from ChemDraw (with Topology labels) image

  2. Ketcher >> Open this file image

Actual behavior Topology labels from ChemDraw are lost in the Ketcher.

Task https://github.com/epam/ketcher/issues/4232

Expected behavior Topology labels should be opened in the Ketcher as it was saved in the ChemDraw

Attachments cdx_Topology.zip

Environment details: • OS: Windows 10 Pro (version 22H2) x64 • Browser: Сhrome • Version: (122.0.6261.95) x64

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

ADziarkach> Topology support added, but topology is query molecule specific. Currently CDX loader doesn't support query molecules, so topology info lost.

AlexeyGirin commented 2 months ago

Not fixed. Load from cdx_Topology.zip in Ketcher Topology labels are lost image Windows 10 Chrome Version Version 123.0.6312.106 (Official Build) (64-bit) Ketcher Version 2.21.0-rc.1 Build at 2024-04-15; 20:00:15 Indigo Toolkit Version 1.20.0-rc.1.0-g8e8ffc3c3-wasm32-wasm-clang-12.0.0