[phenixbb] Hydrogens

Nathaniel Echols nechols at lbl.gov
Wed Mar 21 07:32:50 PDT 2012


On Wed, Mar 21, 2012 at 1:48 AM, Christopher Wanty
<christopher.wanty at uwa.edu.au> wrote:
> 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?

It's a bug:

http://www.phenix-online.org/pipermail/phenixbb/2012-March/018460.html

-Nat


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