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andrewtarzia committed Sep 24, 2024
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10 changes: 7 additions & 3 deletions python/examples/8-showing_custom_bonds.py
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This example demonstrates how to add shapes into the chemiscope output such
that custom bonds that would not normally be assigned by ASE can be rendered.
This is done by using stk to generate and analyse molecules, which comes with
topology/bonding information by default (using the cheminformatic software
rdkit).
This is done by using `stk <https://stk.readthedocs.io/en/stable/>`_ to
generate and analyse molecules, which comes with topology/bonding information
by default (using the cheminformatic software rdkit).
We use `stko <https://stko-docs.readthedocs.io/en/latest/>`_ to calculate
some rudimentary properties of `stk` molecules. `stko` can be installed with
``pip install stko``.
"""

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