Module contents

Useful functions that provide access to some data.


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__ = ''
_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.