traj

A package containing classes and functions to handle molecular dynamics trajectories.

Submodules

• api
• exceptions
• formats
• trajectory

Summary

__all__ Exceptions:

MDEngineFormatError	Exception raised if the given enum is not valid
TrajectoryError	Exception raised for errors related to the Trajectory class
TrajectoryFormatError	Exception raised if the given enum is not valid

__all__ Classes:

MDEngineFormat	An enumeration of the supported MD engine formats.
Trajectory	A trajectory object is a sequence of frames.
TrajectoryFormat	An enumeration of the supported trajectory formats.

__all__ Functions:

check_trajectory_pbc	Checks no cell in the trajectory is Cell() i.e.
check_trajectory_vacuum	Checks if all cells of the trajectory are in vacuum i.e.

Reference