Problem :
In ligand puzzles, some "bad torsions", in Torsion Quality objective are very very hard to resolve.
It can be interesting to allow those extreme torsions, for a recipes, or to search a new position for the ligand.
But for final ligands that we want to share to scientists, we need no torsion, and want resolve them.
Suggestion :
Add a option to cap the max torsion that can be applied during wiggle (or moves).
And off course, we can set a value that have correspondance with the "bad torsion" in objectives,
to ensure they can't appear.
The torsion problem appear mostly with long carbon chains, and with amine group for exemple.
Most of the time, when I played a Ligand puzzle, I avoided ligands with carbon chains or amine group, because I thought they were bad ligands. So most of the time I didn't share them to scientists, or didn't try to improve them.
I saw in puzzle 2386 that a promising ligand have an amine group and this torsion problem. So maybe that means we didn't find the correct docking area, or it is just this Foldit torsion problem ?
It it is this problem, maybe this suggestion can resolve it, and encourage players to do more ligands with more diversity.
