reference : md.Trajectory
Align self to a particular frame in reference
frame : int
The index of the conformation in reference to align to.
atom_indices : array_like, or None
The indices of the atoms to superpose. If not
supplied, all atoms will be used.
ref_atom_indices : array_like, or None
Use these atoms on the reference structure. If not supplied,
the same atom indices will be used for this trajectory and the
reference one.
parallel : bool
Use OpenMP to run the superposition in parallel over multiple cores
|