universe

mdtools.select.universe(top, trj, verbose=True, **kwargs)

Create an MDAnalysis Universe from a topology and a trajectory file.

Parameters:

• top (str) – Filename of the topology file. See supported topology formats of MDAnalysis.

• trj (str) – Filename of the trajectory. See supported coordinate formats of MDAnalysis.

• verbose (bool, optional) – If True, print some basic information about the created MDAnalysis Universe to standard output. In fact, if verbose is False, mdtools.select.universe() simply calls the constructor of MDAnalysis.core.universe.Universe and returns the resulting MDAnalysis MDAnalysis.core.universe.Universe.

• kwargs (dict, optional) – Additional keyword arguments to parse to the constructor of MDAnalysis.core.universe.Universe.

Returns:

universe (MDAnalysis.core.universe.Universe) – The created MDAnalysis Universe.

Raises:

RuntimeWarning : – If the created Universe contains no atoms.

See also

mdtools.run_time_info.ag_info_str()

Create a string containing information about an MDAnalysis AtomGroup.

Notes

This function is just a convenient wrapper around the constructor of MDAnalysis.core.universe.Universe that can print the information generated by mdtools.run_time_info.ag_info_str() about the created MDAnalysis.core.universe.Universe to standard output.