[phenixbb] Hydrogens

Christopher Wanty christopher.wanty at uwa.edu.au
Wed Mar 21 01:48:17 PDT 2012


Hi all,

I've been refining with riding hydrogens, and from what I've read hydrogen contribution should be included in Fo calculation automatically for maps. What I'm seeing after refinement is a lot of little bits of green in the difference density that look like they could be explained by hydrogens. I'm working at 1.4A, attached image gives an example and  shows contours at 3 sigma for difference map.

Is there a setting/parameter I need to adjust to get this to work properly?

Kind Regards,
Chris
-------------------------------------------------------
Dr. Christopher Wanty
christopher.wanty at uwa.edu.au

Research Associate
Biomolecular, Biomedical and Chemical Sciences,
Building M310
University of Western Australia
35 Stirling Highway
Crawley 6009
Western Australia
Australia




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