def build_scaled_pdb(traj: md.Trajectory, ratio, pdb_name):
f_rescale = np.vectorize(lambda t: t * ratio)
traj.xyz[0] = f_rescale(traj.xyz[0])
scaled_pdb_name = PDBAnalyzer.prefix_scaled_path + pdb_name
traj.save_pdb(filename=scaled_pdb_name)
def save_trajectory(trajectory: mdtraj.Trajectory,
filename: str,
force_overwrite: bool = True):
trajectory.save_pdb(filename, force_overwrite=force_overwrite)
