[phenixbb] Hi Res Model. Maybe its time to Include Hydrogens?

Pavel Afonine pafonine at lbl.gov
Thu Mar 1 16:33:46 PST 2012

Hi Yuri,



and let me know if that improves the maps.

I found a bug such that if hydrogens.refine=riding then H atom 
scattering contribution is not included into map (but included 
everywhere else).

I will fix this bug within a week or so.


On 3/1/12 2:52 PM, Yuri wrote:
> Dear users,
> I am refining a 400 aa protein with data out to 1.16 A (real data). I 
> am almost finished with refinement. I have good geometry, complete 
> model and ligands Rw 0.11 Rf 0.13.
> Difference maps seem to be asking for more. See attached screen 
> shot.Both maps 2Fo-Fc (non-filled) and Fo-Fc are contoured at 3 sigma.
> How should I handle this? I have used hydrogens all along (riding).
> Thanks for your time

More information about the phenixbb mailing list