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Aromatic is lost from Benzene while save to CDX/base64 CDX formats #1791

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NadezhdaPeskun opened this issue Mar 8, 2024 · 2 comments · Fixed by #1785
Closed

Aromatic is lost from Benzene while save to CDX/base64 CDX formats #1791

NadezhdaPeskun opened this issue Mar 8, 2024 · 2 comments · Fixed by #1785
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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 8, 2024

Steps to Reproduce

  1. Use Indigo library (Bingo cartridge). Describe environment
  2. Open Ket file different Rings: 4 Rounds-hydro ket.zip
  3. Add to Canvas
  4. Save >> select CDX >> Save
  5. Open CDX files in the Ketcher
  6. Open 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
Aromatic is lost from Benzene while save to CDX/base64 CDX formats.
Aromatic is saved successful for CDX XML fomat
Kindly see pictures.

#1775
#1776

Attachments

4 Rounds-hydro CDX.zip

ChemDraw
CDX - in ChemDraw no Aromatize

Ketcher
CDX and 64 cdx - no Aromatize

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 High priority CDX-ChemDraw Bucket: Save/View/Open of CDX forrmat related issues Bug labels Mar 8, 2024
@AlexeyGirin
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Fixed.
image

  • 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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Labels
Bug CDX-ChemDraw Bucket: Save/View/Open of CDX forrmat related issues Priority: High
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3 participants