[phenixbb] Average B-factors when using TLS

Phil Jeffrey 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 ?

Phil Jeffrey

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