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An error message is displayed when server functions are applied to an R-group member with invalid stereocenters. #1452

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Svetlana-Asinovskaia opened this issue Apr 14, 2022 · 2 comments
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An error message is displayed when server functions are applied to an R-group member with invalid stereocenters. #1452

Svetlana-Asinovskaia opened this issue Apr 14, 2022 · 2 comments
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@AndreiMazol @fedorseliankin
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bug external Issue depends on external services such as Indigo service mode: standalone Issue is valid for standalone mode
Milestone
Release 2.5.0

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@Svetlana-Asinovskaia
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Svetlana-Asinovskaia commented Apr 14, 2022 •
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Steps to Reproduce

  1. Launch Ketcher.
  2. Create a structure (e.g. benzene).
  3. Define it as R-Group member (e.g. R1).
  4. Add two Single Up Bonds to one atom.
  5. Apply any server function (e.g. Click the 'Check Structure' button).

Expected behavior
'Structure Check' dialog is opened. The list or errors is present in it.

Actual behavior
The following error is displayed: "Given string could not be loaded as (query or plain) molecule or reaction, see the error messages: 'RXN loader: bad header {', 'RXN loader: bad header {', 'molecule json loader: stereo type specified for atom #4, but the bond directions does not say that it is a stereocenter', 'molecule json loader: stereo type specified for atom #4, but the bond directions does not say that it is a stereocenter"

Screenshots
2022-04-14_17h43_11

Desktop:

  • OS: Windows 10
  • Browser: chrome
  • Version 100.0.4896.88

Ketcher version

  • v2.4.2-177-g6d6dbdbf
@Svetlana-Asinovskaia Svetlana-Asinovskaia added bug external Issue depends on external services such as Indigo service mode: standalone Issue is valid for standalone mode labels Apr 14, 2022
@Svetlana-Asinovskaia Svetlana-Asinovskaia added this to the Release 2.5.0 milestone Apr 14, 2022
@Svetlana-Asinovskaia Svetlana-Asinovskaia changed the title An error message is displayed when server functions are applied to a structure that is a member of an R-group and contains invalid stereocenters. An error message is displayed when server functions are applied to an R-group member with invalid stereocenters. Apr 14, 2022
@Svetlana-Asinovskaia
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Related issue: epam/Indigo#708

@fedorseliankin fedorseliankin self-assigned this Apr 18, 2022
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Verified in Release 2.5

@emripka emripka mentioned this issue Jan 31, 2024
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@AndreiMazol AndreiMazol

@fedorseliankin fedorseliankin

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bug external Issue depends on external services such as Indigo service mode: standalone Issue is valid for standalone mode
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Release 2.5.0
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@AndreiMazol @Svetlana-Asinovskaia @fedorseliankin