[phenixbb] Real Space Refinement with marginal data
Schubert, Carsten [PRDUS]
CSCHUBER at its.jnj.com
Wed Apr 14 11:12:20 PDT 2010
I was wondering if anyone had experience/advice for real space
refinement with phenix using marginal data to 3A. I just did a run (SA,
real-space refinement against diff_map, 2 fold NCS, grouped APD,
fix_rotamers enabled) were the resulting structure showed lots of
disconnected sidechains and some broken main chains. I am just repeating
the run w/o real space refinement, may be the combination of SA and real
space refinement was a bit harsh, but am wondering what kind of
parameters make most sense to tweak in order to avoid having the
molecules fall apart.
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