10 May
2008
10 May
'08
2:09 p.m.
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