[phenixbb] B factor

[Jianghai Zhu]

Hi,

When TLS is used, phenix.refine gives 6 ANISOU B factors for each  
atoms.  But we also get a number at the normal isotropic B factor  
position.  If that number is the isotropic B factor, how was it  
calculated?  Did you use something like the following?

Uiso(e)^2=U11*e1^2+U22*e2^2+U33*e3^2+2U12*e1e2+2U13*e1e3+2U23*e2e3

Is it the same as the output from tslanl if using refmac5?

-- Jianghai