traj_to_com_traj

A module containing the tool to compute a center of mass trajectory for a given selection.

Summary

Functions:

traj_to_com_traj

Function that computes the center of mass trajectory for a given selection.

Reference

traj_to_com_traj(

trajectory: Trajectory,

selection=None,

group=None,

) → Trajectory

Function that computes the center of mass trajectory for a given selection.

With the group parameter, the trajectory will be group according to the given group. For example if group = 2, the trajectory will be grouped in pairs of 2 and the center of mass of each pair will be computed.

Parameters:

• trajectory (Trajectory) – The trajectory to compute the center of mass trajectory for.

• selection (Selection, optional) – The selection to compute the center of mass trajectory for. If None, the selection is all atoms.

• group (int, optional) – The group to compute the center of mass trajectory for. If None, the group is all atoms.