mdtraj.compute_rg

mdtraj.compute_rg(traj, masses=None)[source]

Compute the radius of gyration for every frame.

Parameters:
  • traj (Trajectory)

  • masses (ndarray, optional) – array of atom masses.

Returns:

Rg – Rg for every frame

Return type:

ndarray

Notes

If masses are none, assumes equal masses.