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"Convert error! metalayout: average bond length is too small" error appears when loading from RDF and RXN V2000/V3000 reactions with molecules with 0 coordinates #2431

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ivanmaslow opened this issue Sep 26, 2024 · 0 comments
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Bug Export to RXN Bucket: Export to RXN related issues Priority: Low Reactions

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@ivanmaslow
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ivanmaslow commented Sep 26, 2024

Steps to Reproduce Case 1 - Reactions

  1. Add to Canvas a reaction:
    image
  2. Save reaction to RXN V2000 or V3000
  3. Open RXN document and manually change coordinates to 0.0000:
    image
    Example of files with changed coordinates for RXN V2000, V3000:
    !rxn-v2000-0-coordinates.zip
    !rxn-v3000-0-coordinates.zip
  4. Add RXN files to Canvas

Actual behavior

  • Error "Convert error! metalayout: average bond length is too small" appears for RXN V2000/V3000:
    image

Expected behavior

  • 1:1 reaction is added to Canvas without errors;

Environment details

  • Tested on RC SA env
  • Ketcher [Version 2.25.0-rc.5] Build at 2024-09-24; 18:17:25
  • Indigo Version Version 1.24.0-rc.4.0-gdf51dc428-wasm32-wasm-clang-19.0.0
  • Desktop Windows 11 Enterprise
  • Chrome Version 129.0.6668.70 (Official Build) (64-bit)

Notes

@ivanmaslow ivanmaslow added Bug Priority: Low Export to RXN Bucket: Export to RXN related issues Reactions labels Sep 26, 2024
@ivanmaslow ivanmaslow added this to the Indigo-1.25.0-rc.1 milestone Sep 26, 2024
@ivanmaslow ivanmaslow changed the title Issues with loading from RDF and RXN V2000/V3000 reactions with molecules with 0 coordinates "Convert error! metalayout: average bond length is too small" error appears when loading from RDF and RXN V2000/V3000 reactions with molecules with 0 coordinates Sep 26, 2024
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Labels
Bug Export to RXN Bucket: Export to RXN related issues Priority: Low Reactions
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