dynsight.hdf5er.universe_to_hdf5

dynsight.hdf5er.universe_to_hdf5(mdatrajectory, trajfolder, trajchunksize=100, trajslice=None, usetype='float64')[source]

Uploads an mda.Universe or mda.AtomGroup to a h5py.Group in hdf5 file.

  • Original author: Daniele Rapetti

Parameters:

  • mdatrajectory (Universe | AtomGroup) – the container with the trajectory data

  • trajfolder (h5py.Group) – the group in which store the trajectory in the hdf5 file

  • trajchunksize (int) – The desired dimension of the chunks of data that are stored in the hdf5 file. Defaults to 100.

  • trajslice (slice | None) – Slice of trajectory.

  • usetype (str) – The precision used to store the data. Defaults to “float64”.

Return type:

None