[phenixbb] polygon resolution control
Pavel Afonine
PAfonine at lbl.gov
Thu Jan 21 08:04:18 PST 2010
Hi Young-Jin,
first of all, I assume you had very strong reasons for cutting off the
resolution.
Currently you cannot filter by resolution the input data for Polygon.
But, as Sacha suggested, you can create another MTZ file with
resolution-filtered data and then use that file for Polygon calculation.
Two ways of doing it:
- from the GUI: click on "Reflection file editor", and the rest should
be obvious;
- from the command line:
phenix.refine model.pdb data.mtz strategy=none main.number_of_mac=0
export_final_f_model=mtz xray_data.high_res=2.5
that will create an MTZ file called like *_f_model.mtz. Use this file to
run Polygon. When running Polygon with this file, make sure you load in
data with correct labels (FOBS) since *_f_model.mtz contains many other
data arrays.
Pavel.
On 1/21/10 7:15 AM, Young-Jin Cho wrote:
> Hi
> I was using polygon from GUI. One question I have now is how I can control the resolution limit. As I cut the resolution during refinements but polygon gave me from the uncut-high resolution. Is there any way, I can ask polygon to get statistics upto certain resolution as shown on pdb file?
>
> As always, thanks in advance.
>
> YoungJin
>
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