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Replace monomer from library at view mode goes wrong for all types of monomer converded to @ symbol #5236

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AlexeyGirin opened this issue Aug 7, 2024 · 0 comments · May be fixed by #5478
Open

Replace monomer from library at view mode goes wrong for all types of monomer converded to @ symbol #5236

AlexeyGirin opened this issue Aug 7, 2024 · 0 comments · May be fixed by #5478
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@rrodionov91
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bug Monomer Library Priority: High Sequence mode Bucket: Sequence mode related issues
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Refined Backlog

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@AlexeyGirin
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AlexeyGirin commented Aug 7, 2024 •
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NOTE: Common problem with all types of monomers wrapped into @ symbol on sequence mode

Steps to Reproduce

  1. Go to Macromolecules mode - Flex mode
  2. Load from file: Replace monomer from library at view mode goes wrong.zip
    image
  3. Go to Sequence mode
  4. Select last to symbols and click on C monomer from Peptide tab at Library
    image
  5. Press Yes in appeared "Confirm Your Action" dialog

Actual behavior
System made a cycled chain (What? Yes!)
image

Expected behavior
A peptide and all CHEMs replaced with C peptide
image
As per requirement:

.....4.2. If any of the selected symbols is @ (and it represents more that one monomer), modal window with a warning message should appear. Warning message: "Symbol @ can represent multiple monomers, all of them are going to be replaced. Do you want to proceed?".
..........4.2.1. "Yes" option -> all selected monomer(s) on canvas are replaced.
(Images for better understanding)
image
Go to sequence mode, select A and @:
image
Click on C in the library, "Yes" in the modal window:
image

Versions

  • Ketcher Version 2.24.0-rc.1 Build at 2024-08-06; 19:17:47
  • Indigo Toolkit Version 1.23.0-rc.1.0-g85f89b8f5-wasm32-wasm-clang-19.0.0
  • Windows 10 Pro
  • Chrome Version 127.0.6533.100 (Official Build) (64-bit)

Related issue - #4878
@AlexeyGirin AlexeyGirin added this to the Ketcher 2.24.0-rc.2 milestone Aug 8, 2024
@AlexeyGirin AlexeyGirin changed the title Replace monomer from library at view mode goes wrong Replace monomer from library at view mode goes wrong for all types of monomer converded to @ symbol Aug 8, 2024
rrodionov91 added a commit that referenced this issue Sep 10, 2024
@rrodionov91
#5236 - Replace monomer from library at view mode goes wrong for all …
a9cd2ad 
…types of monomer converded to @ symbol

- implemented logic to replace all monomers in linker by monomer/rna from library
@rrodionov91 rrodionov91 linked a pull request Sep 10, 2024 that will close this issue
#5236 - Replace monomer from library at view mode goes wrong for all types of monomer converded to @ symbol #5478
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@rrodionov91 rrodionov91

Labels
bug Monomer Library Priority: High Sequence mode Bucket: Sequence mode related issues
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Milestone
Refined Backlog
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@rrodionov91 @AlexeyGirin