biotite.structure.gyration_radius(array, masses=None)[source]

Compute the radius/radii of gyration of an atom array or stack.

arrayAtomArray or AtomArrayStack

The array or stack to calculate the radius/radii of gyration for.

massesndarray, optional

The masses to use for each atom in the input array. Must have the same length as array. By default, the standard atomic mass for each element is taken.

massesfloat or ndarray, dtype=float

If array is an AtomArray, the radius of gyration is returned as single float. If array is an AtomArrayStack, a ndarray containing the radii of gyration for every model is returned.