API Molecular Mechanics

get_degrees_of_freedom(molecular_system[, ...])	Calculating the mechanical degrees of freedom for a molecular system.
get_engine_forcefield(forcefield[, ...])	Getting the engine-specific force field or simulation object from a molecular system.
get_forces(molecular_system[, element, ...])	Calculating the atomic forces acting on the molecular system.
get_non_bonded_potential_energy(molecular_system)	Calculating non-bonded interaction potential energy between selections or pairwise across structures.
get_potential_energy(molecular_system[, ...])	Calculating the potential energy of a molecular system or selected subsystem.
potential_energy_minimization(molecular_system)	Relax a molecular system to a local minimum of the potential energy.