universe
- mdtools.select.universe(top, trj, verbose=True, **kwargs)[source]
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) – IfTrue
, print some basic information about the created MDAnalysisUniverse
to standard output. In fact, if verbose isFalse
,mdtools.select.universe()
simply calls the constructor ofMDAnalysis.core.universe.Universe
and returns the resulting MDAnalysisMDAnalysis.core.universe.Universe
.kwargs (
dict
, optional) – Additional keyword arguments to parse to the constructor ofMDAnalysis.core.universe.Universe
.
- Returns:
universe (
MDAnalysis.core.universe.Universe
) – The created MDAnalysisUniverse
.- 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 bymdtools.run_time_info.ag_info_str()
about the createdMDAnalysis.core.universe.Universe
to standard output.