[phenixbb] Average B-factors when using TLS
pjeffrey at princeton.edu
Wed Oct 13 11:20:19 PDT 2010
I'm having a discussion with a colleague here about what we expect to
see on a model with and without TLS being used. I had the expectation
that if you'd compared both models the Biso values reported in the ATOM
line for the same atom w/ and w/o TLS would be somewhat comparable. Not
the same, because the ADP model is different, but similar.
However in the case of the TLS-refined model the average B-factors are
systematically higher over the whole structure (86 A^2 vs 69A^2 for one
polypeptide chain). Is this reasonable ? Expected ?
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