[phenixbb] cif_as_mtz assertion error
pafonine at lbl.gov
Wed Jun 13 10:02:53 PDT 2012
> Normally, I would also suggest that you take advantage of a resource
> in Phenix:
> which contains model_vs_data results for all applicable PDB entries.
> However, this has not been updated since at least last August,
I will try to find time to update it next week.
Since phenix.cif_as_mtz extracts all data arrays now (thanks Richard!) I
will have to change my scripts in order to check these arrays to choose
the one that was actually used to produced the final deposited structure.
> and in
> the meantime, there have been thousands of new entries added to the
> PDB, plus Pavel recently changed the bulk solvent correction and
> scaling procedure, which tends to result in slightly lower R-factors,
> so I think it's officially obsolete right now.
I wouldn't say it's obsolete, it's just reflects the state as of August
last year, and that's 50+k entries - good enough for statistical
exploration. But of course it's not suitable if you want to look at
recent year-old entries.
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