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Unable to save canvas to MOL - system throws an error: Given string could not be loaded as (query or plain) molecule or reaction, see the error messages: 'stereocenters: restorePyramid(): stereocenter has more than 4 neighbors', 'RXN loader: bad header {', 'RXN loader: bad header {', 'stereocenters: restorePyramid(): stereocenter has more than 4 neighbors' #2702

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AlexeyGirin opened this issue Dec 20, 2024 · 0 comments
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Unable to save canvas to MOL - system throws an error: Given string could not be loaded as (query or plain) molecule or reaction, see the error messages: 'stereocenters: restorePyramid(): stereocenter has more than 4 neighbors', 'RXN loader: bad header {', 'RXN loader: bad header {', 'stereocenters: restorePyramid(): stereocenter has more than 4 neighbors' #2702

AlexeyGirin opened this issue Dec 20, 2024 · 0 comments
Labels
Export to MOL Bucket: Export to MOL related issues Micromolecules canvas Bucket: Micromolecules canvas related issues Mol v2000 Loader Replacement Issues related to replacement Ketcher mol loader with Indigo one Priority: Low regress found by autotest Severity: Low Low level visibility to the user Test Automation affected That issue affect on existed auto test, please update screenshots after fix
Milestone
Indigo-1.30.0-rc....

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@AlexeyGirin
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Steps to Reproduce

  1. Go to Molecules mode
  2. Load from KET: Unable to save canvas to MOL - system throws an error.zip
    image
  3. Save canvas to MOL

Actual behavior
System throws exception: Given string could not be loaded as (query or plain) molecule or reaction, see the error messages: 'stereocenters: restorePyramid(): stereocenter has more than 4 neighbors', 'RXN loader: bad header {', 'RXN loader: bad header {', 'stereocenters: restorePyramid(): stereocenter has more than 4 neighbors'
image

Expected behavior
Export works without errors

Versions

  • Ketcher Version 2.28.0-rc.3 Build at 2024-12-11; 14:32:57
  • Indigo Version 1.27.0-rc.1.0-g8d656a341-wasm32-wasm-clang-19.0.0
  • Chrome Version 131.0.6778.109 (Official Build) (64-bit)
  • Win10
@AlexeyGirin AlexeyGirin added Bug Priority: Low Micromolecules canvas Bucket: Micromolecules canvas related issues Export to MOL Bucket: Export to MOL related issues Severity: Low Low level visibility to the user Test Automation affected That issue affect on existed auto test, please update screenshots after fix regress found by autotest labels Dec 20, 2024
@AlexeyGirin AlexeyGirin added this to the Indigo-1.28.0-rc.2 milestone Dec 20, 2024
@AlexeyGirin AlexeyGirin changed the title Unable to save canvas to MOL - system throws an error: Given string could not be loaded as (query or plain) molecule or reaction, see the error messages: 'stereocenters: restorePyramid(): stereocenter has more than 4 neighbors', 'RXN loader: bad header {', 'RXN loader: bad header {', 'stereocenters: restorePyramid(): stereocenter has more than 4 neighbors' [Replace Ketcher mol loader with Indigo] Unable to save canvas to MOL - system throws an error: Given string could not be loaded as (query or plain) molecule or reaction, see the error messages: 'stereocenters: restorePyramid(): stereocenter has more than 4 neighbors', 'RXN loader: bad header {', 'RXN loader: bad header {', 'stereocenters: restorePyramid(): stereocenter has more than 4 neighbors' Dec 20, 2024
@AlexeyGirin AlexeyGirin added the Mol v2000 Loader Replacement Issues related to replacement Ketcher mol loader with Indigo one label Jan 13, 2025
@AlexeyGirin AlexeyGirin changed the title [Replace Ketcher mol loader with Indigo] Unable to save canvas to MOL - system throws an error: Given string could not be loaded as (query or plain) molecule or reaction, see the error messages: 'stereocenters: restorePyramid(): stereocenter has more than 4 neighbors', 'RXN loader: bad header {', 'RXN loader: bad header {', 'stereocenters: restorePyramid(): stereocenter has more than 4 neighbors' Unable to save canvas to MOL - system throws an error: Given string could not be loaded as (query or plain) molecule or reaction, see the error messages: 'stereocenters: restorePyramid(): stereocenter has more than 4 neighbors', 'RXN loader: bad header {', 'RXN loader: bad header {', 'stereocenters: restorePyramid(): stereocenter has more than 4 neighbors' Jan 15, 2025
@AlexeyGirin AlexeyGirin removed the Bug label Jan 16, 2025
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Labels
Export to MOL Bucket: Export to MOL related issues Micromolecules canvas Bucket: Micromolecules canvas related issues Mol v2000 Loader Replacement Issues related to replacement Ketcher mol loader with Indigo one Priority: Low regress found by autotest Severity: Low Low level visibility to the user Test Automation affected That issue affect on existed auto test, please update screenshots after fix
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Indigo-1.30.0-rc.1 (Current)
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@AlexeyGirin