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Unable to establish hydrogen bond connection if monomer has no free attachment points #5935

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AlexeyGirin opened this issue Nov 7, 2024 · 1 comment · Fixed by #5955 or #5958
Closed

Unable to establish hydrogen bond connection if monomer has no free attachment points #5935

AlexeyGirin opened this issue Nov 7, 2024 · 1 comment · Fixed by #5955 or #5958
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@rrodionov91
Labels
bug Flex mode Bucket: Flex canvas related mode Hydrogen bonds Bucket: Bugs related to Hydrogen bonds Priority: High Snake mode Bucket: Snake mode related issues
Milestone
Ketcher 2.27.0-rc.2

Comments

@AlexeyGirin
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Steps to Reproduce

  1. Go to Macro - Flex mode

  2. Load from file: Unable to establish hydrogen bond connection if monomer has no free attachment points.zip
    image

  3. Try to establish hydrogen bond connection between Cys_Bn and Chg peptides

Actual behavior
System throws an error: Selected monomer doesn't have any free attachment points
image

Expected behavior
Bond established
image

As per requirement:

4.1. Hydrogen bonds do not require attachment points - they are ambiguous connections.

Versions

  • Ketcher Version 2.27.0-rc.1 Build at 2024-11-05; 14:55:18
  • Indigo Toolkit Version 1.26.0-rc.1.0-g904d2d992-wasm32-wasm-clang-19.0.0
  • Chrome Version 130.0.6723.117 (Official Build) (64-bit)
  • Win10

Found while testing - #5403
@AlexeyGirin AlexeyGirin added bug Priority: High Snake mode Bucket: Snake mode related issues Flex mode Bucket: Flex canvas related mode labels Nov 7, 2024
@AlexeyGirin AlexeyGirin added this to the Ketcher 2.27.0-rc.2 milestone Nov 7, 2024
@AlexeyGirin AlexeyGirin added the Hydrogen bonds Bucket: Bugs related to Hydrogen bonds label Nov 7, 2024
@rrodionov91 rrodionov91 self-assigned this Nov 8, 2024
rrodionov91 added a commit that referenced this issue Nov 11, 2024
@rrodionov91
#5935 - Unable to establish hydrogen bond connection if monomer has n…
4b9f4bf 
…o free attachment points

#5940 - Copy/paste operation works wrong (copy only two hydrogen bonds and drops others)

#5941 - Hydrogen bonds remain in place on monomer delete

#5933 - Error message is wrong if user tries to establish hydrogen bond if it is already exist
@rrodionov91 rrodionov91 mentioned this issue Nov 11, 2024
Merged
9 tasks
@rrodionov91 rrodionov91 linked a pull request Nov 11, 2024 that will close this issue
#5935 - Unable to establish hydrogen bond connection if monomer has no free attachment points #5955
Merged
9 tasks
rrodionov91 added a commit that referenced this issue Nov 12, 2024
@rrodionov91
#5935 - Unable to establish hydrogen bond connection if monomer has n…
2bc3959 
…o free attachment points (#5955)

#5940 - Copy/paste operation works wrong (copy only two hydrogen bonds and drops others)

#5941 - Hydrogen bonds remain in place on monomer delete

#5933 - Error message is wrong if user tries to establish hydrogen bond if it is already exist
rrodionov91 added a commit that referenced this issue Nov 12, 2024
@rrodionov91
#5935 - Unable to establish hydrogen bond connection if monomer has n…
aa94a37 
…o free attachment points (#5955)

#5940 - Copy/paste operation works wrong (copy only two hydrogen bonds and drops others)

#5941 - Hydrogen bonds remain in place on monomer delete

#5933 - Error message is wrong if user tries to establish hydrogen bond if it is already exist
@rrodionov91 rrodionov91 mentioned this issue Nov 12, 2024
Merged
9 tasks
@rrodionov91 rrodionov91 linked a pull request Nov 12, 2024 that will close this issue
Backmerge: #5935 - Unable to establish hydrogen bond connection if monomer has no free attachment points #5958
Merged
9 tasks
rrodionov91 added a commit that referenced this issue Nov 12, 2024
@rrodionov91
#5935 - Unable to establish hydrogen bond connection if monomer has n…
d2f5aa6 
…o free attachment points (#5955) (#5958)

#5940 - Copy/paste operation works wrong (copy only two hydrogen bonds and drops others)

#5941 - Hydrogen bonds remain in place on monomer delete

#5933 - Error message is wrong if user tries to establish hydrogen bond if it is already exist
@AlexeyGirin
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Verified.
image

  • Ketcher Version 2.27.0-rc.2 Build at 2024-11-12; 19:26:10
  • Indigo Toolkit Version 1.26.0-rc.2.0-gfec30ecd8-wasm32-wasm-clang-19.0.0
  • Chrome Version 131.0.6778.70 (Official Build) (64-bit)
  • Win10

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Assignees

@rrodionov91 rrodionov91

Labels
bug Flex mode Bucket: Flex canvas related mode Hydrogen bonds Bucket: Bugs related to Hydrogen bonds Priority: High Snake mode Bucket: Snake mode related issues
Projects
None yet
Milestone
Ketcher 2.27.0-rc.2
2 participants
@rrodionov91 @AlexeyGirin