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Export of monomers to InChl (same for InChl AuxInfo and InChlKey) doesn't work - exception #5862

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AlexeyGirin opened this issue Oct 24, 2024 · 0 comments
Open

Export of monomers to InChl (same for InChl AuxInfo and InChlKey) doesn't work - exception #5862

AlexeyGirin opened this issue Oct 24, 2024 · 0 comments
Labels
bug Export to InChl Bucket: Bugs related to Export to InChl Macro-Micro Bucket: Macro-Micro View related issues Priority: Medium
Milestone
Refined Backlog

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@AlexeyGirin
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AlexeyGirin commented Oct 24, 2024 •
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Steps to Reproduce

  1. Go to Micro
  2. Load from file: All type of monomers in horisontal chain and large micromolecule in the middle.zip
    image
  3. Save canvas to InChl (same for InChl AuxInfo and InChlKey)

Actual behavior
System throws exception: Convert error! element: bad element number: 122
image

Expected behavior
Export works fine

Versions

  • Ketcher Version 2.26.0-rc.5 Build at 2024-10-21; 15:27:55
  • Indigo Toolkit Version 1.25.0-rc.3.0-g795119115-wasm32-wasm-clang-19.0.0
  • Chrome Version Version 130.0.6723.59 (Official Build) (64-bit)
  • Win10

Found while testing - #5400
@AlexeyGirin AlexeyGirin added bug Priority: Medium Export to InChl Bucket: Bugs related to Export to InChl labels Oct 24, 2024
@AlexeyGirin AlexeyGirin changed the title Export of monomers to InChl doesn't work - exception Export of monomers to InChl (same for InChl AuxInfo and InChlKey) doesn't work - exception Oct 24, 2024
@AlexeyGirin AlexeyGirin added the Macro-Micro Bucket: Macro-Micro View related issues label Oct 24, 2024
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bug Export to InChl Bucket: Bugs related to Export to InChl Macro-Micro Bucket: Macro-Micro View related issues Priority: Medium
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@rrodionov91 @AlexeyGirin