[phenixbb] twin refinement in phenix-1.5-2

Pavel Afonine PAfonine at lbl.gov
Tue Jan 19 12:45:32 PST 2010


> I encountered the same with later nightlies than 1.5-2 also. The 
> problem is the "fix_rotamers = True " command. You have to return it 
> to its default value "None".
> Apparently, some subroutines like that one don't work with twin_f_lsq 
> algorithm. I believe because the fix_rotamers function depends on a 
> map cc calculation which also in itself doesn't work with twin_f_lsq.

This is correct and sorry for the problem. I have to add a meaningful 
error message.


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