A modified MM2 program for molecular mechanics calculations on coordination compounds

The MM2 molecular mechanics program has been modified to allow the treatment of molecules containing atoms with up to six connections. A term to allow for the periodicity of ligand-metal-ligand angles has also been included. Calculations have been performed successfully on various octahedral metal complexes, but it was necessary to replace the default value of the stretch-bend force constant in order to obtain satisfactory results.