[phenixbb] help with Histidine flip in phenix refinement

Vikram Dalal vikram.dalal.37 at gmail.com
Thu Jan 19 02:36:00 PST 2017

Hi all,

 I have 4 Mn (2 Mn in each chain) in my protein structure. One Mn has 1
cordination with water, 1 cordination with His and 4 cordination with Asp.
I model build the His in coot. Even this His is in bond range with Mn. But,
when i refine this model in phenix. This His again flip other side (N
terminal which has to cordinate with Mn goes to other direction). I am
facing this problem only with His of A chain only while N of His of B chain
are towards Mn only.

Is there any option in pehnix refinment where we can exclude a specific
residue or atom in refinment??
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