Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

Sign up for GitHub

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Jump to bottom

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

Closed
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
Assignees
@rrodionov91
Labels
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
Copy link
Collaborator

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
Copy link
Collaborator Author

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

Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Assignees

@rrodionov91 rrodionov91

Labels
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