msmbuilder.metrics.RMSD.one_to_all¶
- RMSD.one_to_all(prepared_traj1, prepared_traj2, index1)¶
Calculate a vector of distances from one frame of the first trajectory to all of the frames in the second trajectory
The distances calculated are from the index1`th frame of `prepared_traj1 to the frames in prepared_traj2
Parameters: prepared_traj1 : rmsd.TheoData
First prepared trajectory
prepared_traj2 : rmsd.TheoData
Second prepared trajectory
index1 : int
index in prepared_trajectory
Returns: Vector of distances of length len(prepared_traj2) :
Notes
If the omp_parallel optional argument is True, we use shared-memory parallelization in C to do this faster.