5.55.7. extras.viewer.view_file

eminus.extras.viewer.view_file(filename, isovalue=0.01, gui=False, elec_symbols=('X', 'He'), size=(400, 400), **kwargs)[source]

Display molecules and orbitals.

Reference: Bioinformatics 34, 1241.

Parameters:

filename – Input filename(s). This can be either CUBE or XYZ files.

Keyword Arguments:

  • isovalue – Isovalue for sizing orbitals.

  • gui – Turn on the NGLView GUI.

  • elec_symbols – Identifier for up and down FODs.

  • size – Widget size.

  • **kwargs – NGLWidget keyword arguments.

Returns:

Viewable object.