[phenixbb] Resolution Limits in the transition from AutoMR to AutoBuild

Dale Tronrud dale at uoxray.uoregon.edu
Mon Dec 17 00:29:28 PST 2007

    The structure factors that I downloaded from the PDB for my
little MR project contains both reflections behind the beam stop
and reflections of higher resolution than even the original authors
would use.  When setting up the MR I entered the more restrictive
resolution limits into the Wizard and Phaser appears to have obeyed.

    As near as I can tell from the log files, however, Resolve is
using all the data in the rebuild.  I am including a copy of the
log file from the "best" refinement.  I would prefer that only
data between 30 and 2.2A were used but it is clear that the
refinement is, at least, monitoring the fit to all the data. I
am presuming that the program is refining against the same data
it is monitoring.

    I would like to suggest that either the log file be clearer
about the resolution limits it is actually refining to, or the
plumbing that passes the resolution limits from the AutoMR wizard
to the AutoBuild wizard be checked.

Dale Tronrud

P.S. That's all my problems... For now.  The project I'm working
on is cursed and brings out the worst in all the software I have
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