MDMC.gui package

Module contents

Functions for viewing MDMC configurations via ASE.

MDMC.gui.view(obj: Structure | Universe, viewer: str = 'X3D', max_atoms: int = 2000) → HTML | None[source]

View an MDMC Structure or Universe. Wrapper around the ASE viewer.

Parameters:

obj (Structure or AtomContainer) – The MDMC molecular object to be viewed.
viewer (str) – The viewer.
max_atoms (int, default 2000) – The maximum number of atoms to be displayed.

Returns:

Either opens the relevant GUI, or returns a HTML object (in the case of HTML viewers like X3D).

Return type:

HTML or None