Hi Partha,
It should be depended on the input model :
MIXEd
Some atoms with isotropic, some with anisotropic B-values. In this
case input file (PDB) defines which atom should be refined
isotropicly and which anisotropicly. The atoms with ANISOU card are
refined anisotropicly.
ta
leo
Partha Chakrabarti wrote:
Hi,
Sorry to sound stupid, could someone explain what does refmac do if
one chooses "mixed (bref MIXED)" or "overall (bref OVER)" B factor
refinement in the context of TLS refinement?
Is it something like: Isotropic for the main chain and/or waters and
anisotropic for the side chain?
Regards, Partha
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