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. |