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Hi Kevin,<br>
<br>
real-space refinement is global: it does not work on selected atoms.<br>
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?<br>
<br>
Thanks,<br>
Pavel<br>
<br>
<div class="moz-cite-prefix">On 11/25/14 12:59 PM, Kevin Jude wrote:<br>
</div>
<blockquote
cite="mid:CALOTTME4TYHa1QKqzc2AdxNrQBG2Rg6sNkz3w5frMhRRqeP-QA@mail.gmail.com"
type="cite">
<div dir="ltr">
<div>I am refining a structure at 2.9 � 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?<br>
<br>
</div>
Thanks for any help<br>
Kevin<br>
</div>
<br>
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