Introduce hydrogen bonds in macromolecules mode #5403
Labels
feature request
Hydrogen bonds
Macromolecules
Test Cases Written
Test cases has been written for that issue
Milestone
Background
It is hard to overestimate the importance of hydrogen bonds in macromolecules. They are crucial for the stability and function of macromolecules, and their existence allows the life to function as it does.
hydrogen bonds
hydrogen bonds
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hydrogen bonds
hydrogen bonds
hydrogen bonds
For these reasons, it is very important to introduce hydrogen bonds in Ketcher. Users will be able to represent macromolecules with a higher level of detail and precision.
Requirements
User should be able to save macromolecules structures with hydrogen bonds to a .ket file.
User should be able to load macromolecules structures with hydrogen bonds from a .ket file.
The user should be able to select "Hydrogen Bond" from the bond menu in the sidebar (the same behavior like in micromolecules mode).
User is able to establish hydrogen bonds between any two monomers who are not connected via a single bond.
4.1. Hydrogen bonds do not require attachment points - they are ambiguous connections.
4.2. Only one hydrogen bond is allowed to be established between two monomers.
4.2.1. If the user tries to establish a hydrogen bond between two monomers who already have a hydrogen bond, they should get an error message: "Unable to establish multiple hydrogen bonds between two monomers".
4.2.2. If the user tires to establish a hydrogen bond between two monomers who are connected via a single bond, they should get an error message: "Unbale to establish a hydrogen bond between two monomers connected with a single bond".
4.3. Hydrogen bonds should be treated as side-chain connections for layout purposes.
Unlike single bonds, there should not be a "Edit Connection Points" dialogue for hydrogen bonds, or a bond preview.
5.1. Hovering over the hydrogen bond should result only in highlighting of the hydrogen bond and the monomers, excluding the attachment points of those monomers.
When switching from macromolecules mode (where there are hydrogen bonds) to small molecules mode, and one of the monomers gets expanded, the hydrogen bond should temporarily disappear (switching back to macromolecules mode, the hydrogen bond should still be there).
User shouldn't be able to establish hydrogen bonds with small molecules in macromolecules mode (both between two small molecules and between a small molecule and a monomer).
UX
TBD
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