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Structure Refinement can be carried out with olex2.refine. The refinement engine is based on the cctbx and provides all the functionality required for a meaningful structure refinement. A general system allows the implementation of any constraint, which has been used to provide all ShelXL constraints as well as some new constraints. All ShelX restraints have also been implemented. Of course, ShelXL can be chosen as the refinement engine as an alternative to olex2.refine.

OLEX2– a complete package for molecular crystallography