31 Mar
2011
31 Mar
'11
5:12 p.m.
Hi, I ccp4-refmac, there is a "BREF OVER" mechanism to refine the overall B-factor (Boverall, obtained from scaling is added to the atomic B values, or, http://www.ccp4.ac.uk/html/refmac5/keywords/xray-principal.html#refi_bref). I am just wondering in phenix.refine, whether we could do this after positional and tls refinement. It seems to me the Boverall corresponds to the overall anisotropic scaling factor and will be refined prior to any positional/B-factor refinement in phenix.refine by default. I may be wrong, but if not, my question was whether we could do it afterward. Thanks! Best Regards, Hailiang