Sorry, I moved the image before the sending of the mail and then I was not
2018-04-04 11:26 GMT+02:00 M T <michel...@gmail.com>:
> I am refining a structure at 2.1Å, using Refmac and manual constructions
> in coot.
> I have few Ca, Cl and Mg in my structure and some of them have a clearly
> anisotropic distribution, then I decided to use ANISOU line in pdb file
> only for these atoms.
> In refinement parameters of Refmac I set "mixed (isotropic/anisotropic)
> temperature factors".
> And I have a problem with some of them which are obviously badly refined
> (see attached picture).
> What could be the reason of that? What should I badly set?
> Thank you for your help.