Hi Kevin,

real-space refinement is global: it does not work on selected atoms.
I wonder why it results in increased Rfree.. Could you please send me files off list so I can investigate and perhaps suggest a solution?

Thanks,
Pavel

On 11/25/14 12:59 PM, Kevin Jude wrote:

I am refining a structure at 2.9 Å resolution and have two side chains that keep moving out of density during reciprocal space refinement; both side chains should fit the resulting Fo-Fc density in favored rotamers. Turning on real-space refinement fixes this problem but leads to higher Rfree and poorer geometry overall. Can I select a subset of residues for real space refinement while still performing reciprocal space refinement on the whole asymmetric unit?

Thanks for any help
Kevin
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