[phenixbb] target bond/angle RMS deviations from ideal

wtempel wtempel at gmail.com
Mon Dec 11 07:44:39 PST 2017

Hello all,
the documentation
<https://www.phenix-online.org/documentation/faqs/refine.html> states that

This is somewhat controversial, but absolute upper limits for a
well-refined protein structure at high resolution are typically 0.02 for
RMS(bonds) and 2.0 for RMS(angles); usually they will be significantly

I understand that exceedingly high RMSDs from ideal could indicate
On the other hand, local deviations from ideal geometry may point to
correctable modeling errors, and I am concerned that overly tight
restraints may cause that diagnostic tool to become less sensitive, or
local errors to be spread in to the model.
For what bond and angle rms deviations from ideal do my colleagues on the
BB aim and how have they arrived at those targets? Did my web search miss a
relevant paper?
Thank you in advance.
Wolfram Tempel
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