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Structural distortion occurs during multi expand and multi collapse of macromolecule abbreviations in Micro mode #5670

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Zhirnoff opened this issue Oct 7, 2024 · 0 comments
Open

Structural distortion occurs during multi expand and multi collapse of macromolecule abbreviations in Micro mode #5670

Zhirnoff opened this issue Oct 7, 2024 · 0 comments
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@svvald
Labels
bug Macro-Micro Bucket: Macro-Micro View related issues Priority: High
Milestone
Ketcher 2.27.0-rc.3

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@Zhirnoff
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Zhirnoff commented Oct 7, 2024 •
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Steps to Reproduce

  1. Open file in Macro mode (Flex mode) monomers-cycled.zip
  2. Switch to Micro mode
  3. Select all monomers and expand it

Actual behavior
During the multi expand of macromolecule abbreviations, the resulting structure is severely distorted, with overlapping bonds, misplaced functional groups, and general structural misalignment, as shown in the attached screenshot. This makes the expanded structure unusable and difficult to interpret.
2024-10-07_16h57_22
Same in not cycled chain:
2024-10-07_17h04_56

After multi-collapse, abbreviations do not return to their original places but are crowded together

2024-10-07_17h59_59

Expected behavior
The expanded macromolecules should retain their proper structure and alignment, with all components clearly displayed and positioned correctly.

Desktop:

  • OS: Windows 11
  • Browser Chrome
  • Version 128.0.6613.120 (Official Build) (64-bit)

Ketcher version
[Version 2.26.0-rc.1]
Indigo version
[Version 1.25.0-rc.1]
Bug found during testing: #5400
@Zhirnoff Zhirnoff added bug Priority: High Macro-Micro Bucket: Macro-Micro View related issues labels Oct 7, 2024
@Zhirnoff Zhirnoff added this to the Ketcher 2.26.0-rc.2 milestone Oct 7, 2024
@Zhirnoff Zhirnoff changed the title Structural distortion occurs during multi expand of macromolecule abbreviations in Micro mode Structural distortion occurs during multi expand and multi collapse of macromolecule abbreviations in Micro mode Oct 7, 2024
@Zhirnoff Zhirnoff mentioned this issue Nov 6, 2024
Closed
@rrodionov91 rrodionov91 self-assigned this Nov 12, 2024
@svvald svvald assigned svvald and unassigned rrodionov91 Dec 5, 2024
rrodionov91 added a commit that referenced this issue Dec 5, 2024
@rrodionov91
#5670 - Structural distortion occurs during multi expand and multi co…
fc6cb20 
…llapse of macromolecule abbreviations in Micro mode

- implemented vertical shift for expanding monomers
- fixed U peptide structure in library
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@svvald svvald

Labels
bug Macro-Micro Bucket: Macro-Micro View related issues Priority: High
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Milestone
Ketcher 2.27.0-rc.3
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4 participants
@svvald @rrodionov91 @AlexeyGirin @Zhirnoff