@@ -26,6 +26,9 @@ export class MolEncoder extends LigandEncoder {
const atomMap = this.componentAtomData.entries.get(name)!;
const bondMap = this.componentBondData.entries.get(name)!;
+ // happens for unknown ligands like UNL
+ if (!atomMap) throw Error(`Component ${name} is not registered in the Chemical Component Dictionary`);
+
let bondCount = 0;
let chiral = false;