the interpolation has to be adjusted to select a chemical representation of these equivalence classes. For example a change of -5°is preferred over 355°and a movement from (α, δ) to (-α, δ) happens usually along the dihedral coordinate. For this reason it is necessary before the interpolation to select combinations of angles and dihedrals such that 0 ≤ α ≤ π and -π ≤ δ ≤ π. After interpolation the angle and dihedral with the smallest absolute value should be chosen (yielding a change of -5°over 355°). These steps can be completely automatized.