aiidalab_widgets_base.data package

Module contents

Useful functions that provide access to some data.

class aiidalab_widgets_base.data.LigandSelectorWidget(**kwargs)[source]

Bases: ipywidgets.widgets.widget_selection.Dropdown

Class to select ligands that are returned as Atoms object

__init__(value=0, description='Select ligand', **kwargs)[source]

Public constructor

__module__ = 'aiidalab_widgets_base.data'
_trait_default_generators = {}
property anchoring_atom

Return anchoring atom chemical symbol.

rotate(align_to=(0, 0, 1), remove_anchor=False)[source]

Rotate group in such a way that vector which was (-1,-1,-1) is alligned with align_to.