Fig. 1From: PDBe CCDUtils: an RDKit-based toolkit for handling and analysing small molecules in the Protein Data BankPDBe CCDUtils Component representation. The Component object is the core structural representation of small molecules in PDBe CCDUtils. It provides access to metadata such as descriptions and properties, and computed properties, such as scaffold and fragment information, cross-references from UniChem and physicochemical properties of small moleculesBack to article page