- Jupyter notebook containing the analysis used in the paper:
Smart, O. S., Horsky, V., Gore, S., Svobodova Varekova, R., Bendova, V., Kleywegt, G. J. & Velankar, S. (2018).
Ligand validation in macromolecular structures determined by X-ray crystallography
Acta Cryst. D74, 228-236. https://doi.org/10.1107/S2059798318002541 - Notebook and data best viewed as Azure Notebook https://notebooks.azure.com/OliverSmart/libraries/ba5728-supplement
- To view the notebook click on: ba5278sup2.ipynb.
The article and notebook are distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.