​​The Cambridge Crystallographic Data Centre (CCDC).
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What should I input to Mogul?


​In general you should input complete molecules, ions or crystal structures to Mogul rather than substructures. The geometrical preferences of a bond length, valence angle or torsion will depend on the extended chemical environment, so you should supply chemically complete input. Data can be given to Mogul through a loaded geometry file or crystal structure, or by sketching a chemical diagram directly into Mogul. Mogul can also be accessed directly through Mercury using the Calculate > Mogul Geometry Check feature.