Kunnakkattu, I. R., Choudhary, P., Pravda, L., Yuan, Q., S.Smart, O., Nadzirin, N., Anyango, S., Nair, S., & Velankar, S. (2023). PDBe CCDUtils: an RDKit-based toolkit for handling and analysing small molecules in the Protein Data Bank. Journal of Cheminformatics, 15. https://doi.org/10.1186/s13321-023-00786-w