[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.




-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://phenix-online.org/pipermail/phenixbb/attachments/20100414/6462e31a/attachment-0002.htm>

More information about the phenixbb mailing list