get_average_structure

qaa.libs.utils.get_average_structure(topology, trajectory, *, mask='all', stride=None)

Compute the average structure of a trajectory.

Parameters

• topology (PathLike) – Topology file

• trajectory (list of str) – List of trajectory files

• mask (str) – Atom selection

• stride (int, optional) – Number of steps to read

Returns

The average positions

Return type

Trajectory