[phenixbb] Clashes problem
s.kolstoe at ucl.ac.uk
Mon Feb 11 05:02:15 PST 2008
Dear Phenix community,
I am using phenix.refine version 2007_08_18_1856 to refine a 2.65A
structure (with individual_sites, group_adp, TLS & NCS,
wxc_scale=0.1). After refinement I am running the pdb file through the
Molprobity server. Molprobity gives a clash score of 33.78 indicating
the number of steric clashes (within 0.4A) per 1000 atoms.
I am slightly concerned that a refinement program seems happy to allow
such clashes. Is this a problem with the version of phenix.refine I am
running, or is there a more obvious explanation that I have missed?
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