bbprepared.selectorsΒΆ

selectors package.

Classes

AllNonHSelector

Select all atom ids.

AllSelector

Select all atom ids.

BindersSelector

Select atom ids in stk molecules by binders.

ByIdSelector

Select atom ids in stk molecules by atom ids.

BySmartsSelector

Select atom ids in stk molecules by smarts string.

DeletersSelector

Select atom ids in stk molecules by deleters.

NotPlacersSelector

Select atom ids in stk molecules by placers.

NullSelector

Selecter that does nothing.

Selector

Select atom ids in stk molecules by deleters.

XCOMXSelector

Get binder atom positions with the molecule centroid in the middle.