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Monomer could be saved to RDF V3000 format but can't be loaded back - exception #2722

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Zhirnoff opened this issue Jan 6, 2025 · 0 comments
Open

Monomer could be saved to RDF V3000 format but can't be loaded back - exception #2722

Zhirnoff opened this issue Jan 6, 2025 · 0 comments
Labels
Export to RDF Bucket: Export to RDF feature request Priority: Medium Severity: Medium Medium level visibility to the user
Milestone
Indigo-1.29.0-rc.1

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@Zhirnoff
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Zhirnoff commented Jan 6, 2025

Steps to Reproduce

  1. Go to Macromolecules mode - Flex mode
  2. Put any monomer from library to the canvas ( A-Alanine in my case)
  3. Switch to Micro mode
  4. Add Arrow to make a reaction
    2025-01-06_13h08_24
  5. Press Save button and save to RDF V3000
  6. Try to load resulted file back

Actual behavior
Convert error! Given string could not be loaded as (query or plain) molecule or reaction, see the error messages: 'scanner: readIntFix(3): invalid number representation: "M "', 'element: bad element number: 122', 'SEQUENCE loader: Unknown polymer type ''.', 'scanner: readIntFix(3): invalid number representation: "M "'

2025-01-06_13h09_30

Expected behavior
No exception. Load works as intended

Desktop:

  • OS: Windows 11
  • Browser Chrome
  • Version 131.0.6778.205 (Official Build) (64-bit)

Ketcher version
[Version 3.0.0-rc.1]
Indigo version
[Version 1.28.0-rc.1]

Issue found while testing - #2041
@Zhirnoff Zhirnoff added Bug Priority: High Severity: High High level visibility to the user Export to RDF Bucket: Export to RDF labels Jan 6, 2025
@Zhirnoff Zhirnoff added this to the Indigo-1.28.0-rc.2 milestone Jan 6, 2025
@AlexeyGirin AlexeyGirin added Priority: Medium Severity: Medium Medium level visibility to the user feature request and removed Priority: High Severity: High High level visibility to the user Bug labels Jan 16, 2025
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Labels
Export to RDF Bucket: Export to RDF feature request Priority: Medium Severity: Medium Medium level visibility to the user
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Milestone
Indigo-1.29.0-rc.1
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@AlexeyGirin @Zhirnoff