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SMARTS components are not displayed for S-Groups ( round brackets ) #3931

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Zhirnoff opened this issue Jan 18, 2024 · 3 comments
Closed

SMARTS components are not displayed for S-Groups ( round brackets ) #3931

Zhirnoff opened this issue Jan 18, 2024 · 3 comments
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@captain2b
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epic: smarts query features phase II
Milestone
Ketcher 2.18.0-rc.3

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@Zhirnoff
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Zhirnoff commented Jan 18, 2024 •
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Steps to Reproduce

  1. Open structures from file s-group structure.zip
  2. Add Query component (left toolbar S-Group button -> Type = Query component)
  3. Save as Daylight SMARTS

Expected behavior
SMARTS components are displayed for S-Groups

Actual behavior
SMARTS components are not displayed for S-Groups ( round brackets )

Attachments
2024-01-05_13h24_24
2024-01-05_13h25_17
2024-01-05_13h30_42

Ketcher version
Version 2.18.0-rc.2
@Zhirnoff Zhirnoff added this to the Ketcher 2.19.0-rc.1 milestone Jan 18, 2024
@Zhirnoff Zhirnoff mentioned this issue Jan 18, 2024
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@rrodionov91 rrodionov91 assigned captain2b and unassigned rrodionov91 Jan 18, 2024
@AlexeyGirin
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AlexeyGirin commented Jan 24, 2024 •
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As per @AliaksandrDziarkach - this happens because Ketcher stopped generate S-Groups for output file in KET format
If we remove CH4 atom - it starts working

@AlexeyGirin
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Fixed.
Ketcher Version 2.18.0-rc.3 Build at 2024-01-31; 11:54:11
Indigo Toolkit Version 1.18.0-rc.5.0-gb21ab5ad5-wasm32-wasm-clang-12.0.0
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@rrodionov91
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Duplicate of #3949

@rrodionov91 rrodionov91 marked this as a duplicate of #3949 Feb 6, 2024
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@captain2b captain2b

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epic: smarts query features phase II
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Ketcher 2.18.0-rc.3
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@captain2b @rrodionov91 @AlexeyGirin @Zhirnoff