suggestions Compound Library and Load Library Compound windows

[LociOiling]

The compound library windows have some usability issues. Here are some suggestions for improvements.

1. Clicking "Load Library" in the Compound Library window can appear to hang, especially if the library contains a large number of compounds. The Load Library action seems to be blocking other actions. Just clicking on the background while it's running briefly give the spinning blue disk in Windows. There should be a "loading library" message displayed while this is happening. A progress bar would also be a nice touch.

2. Loading a set of search results can take a long time. Apparently Foldit does not cache intermediate results. The result is that the next time you load the same library, you get the same delay.

3. The Load Library Compound window doesn't show the Name field from the Compound Library window. The Name initially remains highlighted, but a stray click in the Compound Library window can highlight a different search. The Load Library Compound window should display the Name of the library.

4. The Load Library Compound window displays the similarity of each compound to the compound that was present when it was opened. A different compound can be opened or created in the main window while Load Library Compound is open, but the similarity rankings don't change. (The changes include resetting the puzzle, loading a saved solution, loading a quicksave slot, or changing the compound using the ligand design tool.) There should be a "refresh" button, or the similarity should automatically be updated when the main compound changes.

5. Somewhat related to the previous point, the "blue halo" display for a library compound appears based on where the starting compound was. If the main window compound has moved or changed, the blue halo doesn't keep up with it. Clicking Accept Compound aligns the compound with the blue halo. The blue halo should try to align with the current compound position in the main window.

6. The blue halo can obscure the actual compound, and even make it difficult to select the compound segment, which is required for some actions. There should be an option to show or hide the blue halo.

7. The Compound Library window always sorts by the compound name assigned by the user. The window should have sortable columns, allowing the display to appear in ascending or descending order to each of the fields.

8. Unlike the AlphaFold window, searches submitted to the Compound Library can't be reloaded. So if you submit compound "xyzzy", you must separately save it or risk losing your starting point. The Compound Library should always save the compound being submitted and offer a button to reload it.

9. The Load Library Compound always displays its results in order of decreasing similarity. The display should also have sortable columns, including similarity and the entry number as options.

10. The Small Molecule Properties window is available for the main window compound. These properties should also be available for the search compounds in the Compound Library window and the result compounds for in the Load Library Compound window. This could be implemented via a button or other action, which would display a separate window, similar to the Small Molecule Properties window, but with all fields shown by default.

[alcor29]

Or at least sort the ligands by molecular weight, let's say. From low to high. It would simplify a lot of confusing orders inherent in this type of problem.