biotite.structure.gyration_radius¶
- biotite.structure.gyration_radius(array, masses=None)[source]¶
Compute the radius/radii of gyration of an atom array or stack.
- Parameters
- 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.
- Returns
- massesfloat or ndarray, dtype=float
If array is an
AtomArray
, the radius of gyration is returned as single float. If array is anAtomArrayStack
, andarray
containing the radii of gyration for every model is returned.
Gallery¶
Basic analysis of a MD simulation
Basic analysis of a MD simulation