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Real Space Refinement Commands

Optimize an atomic resolution structure against real space data (i.e. a map from X-ray Diffraction or CryoEM).

Command Purpose
realspace.Anneal The realspace.Anneal command applies simulated annealing using a real space objective function.
realspace.Dynamics The realspace.Dynamics command runs a dynamics simulation using a real space objective function.
realspace.ManyBody The realspace.ManyBody command globally optimizes the side-chains of a protein using a real space objective function.
realspace.Minimize The realspace.Minimize command minimizes the system using a real space objective function.