PDBe CCDUtils: an RDKit-based toolkit for handling and analysing small molecules in the Protein Data Bank
Ibrahim Roshan Kunnakkattu, Preeti Choudhary, Lukáš Pravda, Nurul Nadzirin, Oliver S. Smart, Qi Yuan, Stephen Anyango, Sreenath Sasidharan Nair, Mihály Váradi, Sameer S Velankar
PDBe CCDUtils processes and analyzes small molecules from the PDB using RDKit, offering tools for property computation and database cross-references.
Journal of Cheminformatics · Dec 2, 2023Peer-reviewedBioinformatics