peppr.get_fraction_of_rotamer_outliers

peppr.get_fraction_of_rotamer_outliers(atom_array: AtomArray) → float

Compute the fraction of rotamer outliers for given structure.

Parameters:

atom_arraystruc.AtomArray

The structure.

Returns:

float

The fraction of rotamer outliers in the structure, calculated as the number of outlier rotamers divided by the total number of rotamers.