move Small Molecule Properties to Segment Info window

[LociOiling]

The Small Molecule Properties window is important on the current series of CACHE puzzles, but it's difficult to access.

To open the Small Molecule Properties window, you must select the ligand (and only the ligand), then click the "molecule under a microscope" icon or use the "v" hotkey, which opens two windows. The Small Molecule Properties window is at first hidden behind the Small Molecule View Options window. You must move or close the view options to access the Properties.

All of the properties are displayed only when checked, and none are checked by default. Previous settings are not remembered. There's no "select all" option, either.

Instead of forcing players to go through all these steps every time, the small molecule properties could simply be incorporated into the Segment Information window. (I'm assuming it's not difficult internally to tell that a given segment is a ligand.) The Seg Info window would list all properties unconditionally, no additional clicks required.

An alternate or complimentary approach would be to provide a Lua call or calls to retrieve these properties. A recipe could then retrieve and display the properties. A recipe could also format the properties for copy and paste, something that's lacking in the Segment Information window. A single call like structure.GetLigandProperties could return a dictionary-like table of all the properties.

With either approach, the SMILES string for the ligand could be included in the results. In the Segment Information window, the result might be awkward, since the SMILES string may be long. A separate text box, similar to the existing notes area, could be added for the SMILES string.

[jeff101]

I like Loci's ideas above. Another idea I think would help is to let us have multiple Segment Information windows open at the same time. Then, even while recipes are running, we could monitor things like the bonding and clashing subscores for several segments at once. This would also let us convey more information in a single screenshot.

[LociOiling]

Yes, and perhaps make the segment info window resizable vertically and maybe horizontally as well. (We can still dream, right?)

[jeff101]

More good ideas.

Dream on, Dream on, Dream on, Dream until your dreams come true.

[jeff101]

In Puzzle 2541, having the Segment Information windows a little taller would let us see all the subscores without having to scroll down within each Seg Info window. Then to monitor multiple densities, for example, we could just use the left & right arrows to scan through multiple Seg Info windows, and the density would always appear within each window.

Another idea is to have an additional Segment Information window appear for the fictional segment 0. This window would show for each subscore the total for all segments in the puzzle. For example, its Disulfides subscore would be the total of all the puzzle's cysteine Disulfides subscores, and we could use this subscore to estimate how many disulfide bonds are present, even when a recipe is running. We could reach the Seg Info window for segment 0 by Tabbing on one of the protein's real segments and then using the left or right arrow keys.