[phenixbb] helical structure - Real space refinement
Pavel Afonine
pafonine at lbl.gov
Thu Feb 1 09:41:38 PST 2024
Hi Dmitry,
if your model is composed of chains related by some rotation/translation
(does not matter what symmetry), you can ask Phenix real-space
refinement to identify and use that symmetry as "NCS" constraints (yes,
NCS is a legacy term from Xtallography!). Aprart from this there isn't
anything particular.. Alternatively, you can manually specify the master
and symmetry related chains when setting up refinement job.
Pavel
On 2/1/24 02:48, Dmitry Semchonok wrote:
> Dear colleagues,
>
> Is there any specific procedure for Real space refinement in Phenix,
> having a map and model when working with helical structure?
>
> Many thanks
>
> Kind regard,
> Dmitry
>
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