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Some bonds don't display correctly in ChemDraw when opening a saved Ketcher CDX file. #1777

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NadezhdaPeskun opened this issue Mar 5, 2024 · 1 comment · Fixed by #1865 or #1866
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Bug CDX-ChemDraw Bucket: Save/View/Open of CDX forrmat related issues Priority: High

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@NadezhdaPeskun
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NadezhdaPeskun commented Mar 5, 2024

Steps to Reproduce

  1. Use Indigo library (Bingo cartridge). Describe environment
  2. Open Ket file with Bonds >> Add to Canvas
  3. Save >> select CDX
  4. Open this CDX file in the ChemDraw

Expected behavior
We should be able to open saved in the Ketcher CDX file in the ChemDraw and all structures should be visible as well as saved.

Actual behavior
Some bonds don't display correctly in ChemDraw when opening a saved Ketcher CDX file.
Kindly see pictures and wrong CDX file and Ket file in the attachment files.

#1775
#1776

Attachments
1 CDX and ket Bonds ketcher.zip
1 CDX Bonds Screenshot Error-ChemDraw2

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

  • Ketcher version 2.19.0 – rc.1
  • Indigo Toolkit
  • Version 1.18.0-rc.6.0-g98bf384e0-x86_64-linux-gnu-11.2.1
@NadezhdaPeskun NadezhdaPeskun added Bug ChemDraw CDX-ChemDraw Bucket: Save/View/Open of CDX forrmat related issues labels Mar 5, 2024
@AlexeyGirin AlexeyGirin added this to the Indigo-1.19.0-rc.2 milestone Mar 20, 2024
AliaksandrDziarkach added a commit that referenced this issue Mar 22, 2024
…saved Ketcher CDX file.

Fix bond saving. Add UT.
AliaksandrDziarkach added a commit that referenced this issue Mar 22, 2024
…opening a saved Ketcher CDX file.

Fix bond saving. Add UT.
AlexanderSavelyev pushed a commit that referenced this issue Mar 22, 2024
AlexanderSavelyev pushed a commit that referenced this issue Mar 22, 2024
@AlexeyGirin
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Fixed.
image

In Chem Draw it seems that it doesn't support Hydrogen Bond, so - it shows Single one instead. But in terms of CDX - we save it correct and able to load from CDX in Ketcher

  • Indigo Toolkit Version 1.19.0-rc.2.0-g6c0e3fecf-x86_64-linux-gnu-11.2.1
  • Ketcher Version 2.20.0-rc2 Build at 2024-03-27; 08:30:51
  • Chrome Version 122.0.6261.70 (Official Build) (64-bit)
  • Win10

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