[phenixbb] Incrementing high resolution cutoff in phenix.mtz2map or phenix.cut_out_density
pafonine at lbl.gov
Tue Nov 29 14:35:34 PST 2016
best way is to write a Python script that will use CCTBX to do this. If
you know Python and CCTBX then luck is with you! I envisage a page long
script that would do everything. If I do it myself that would cost me
about 30 minutes or so..
On 11/29/16 14:21, Andrew Morin wrote:
> I am trying to find a convenient way to generate maps using
> phenix.mtz2map at increasingly greater values of d_min.
> For example:
> I have a .mtz file of a structure solved at 2.4A. I run phenix.mtz2map
> with d_min=none and obtain a map using all of the resolution data. I
> would like to also create 10 more maps with d_min = 3.4, 4.4, 5.4,
> An mtz of 1.7A would increment at 2.7, 3.7...11.7A, etc.
> Might anyone know of a handy way to automate this over a large number
> of mtz files?
> ALTERNATIVELY - I am performing a phenix.cut_out_density step prior to
> this. So if it might be easier to automate a incrementing high
> resolution cutoff in phenix.cut_out_density, that would also work.
> Thanks for your help.
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