Dear Jeremiah
B values on individual atoms is only residual B value and do not take
into account TLS contribution. If you want to have full B value
then you can use TLSANL.
Regards
Garib
On 6 Feb 2007, at 21:48, JEREMIAH R WAGNER wrote:
Hello All,
Our group is having discussion about B values after TLS and
isotropic refinement in Refmac. Our basic question is: Does the B
value for the individual atoms in the pdb consist of both the B
values from TLS and isotropic refinement parameters, or just for
isotropic refinement. If the individual B values consist of both
TLS and isotropic refinement, is there a way to pull out the B
value contributions from TLS and isotopic refinement?
Thanks,
Jeremiah
