[phenixbb] Incrementing high resolution cutoff in phenix.mtz2map or phenix.cut_out_density

Andrew Morin morin at crystal.harvard.edu
Tue Nov 29 14:21:56 PST 2016


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, 6.4,...12.4A.
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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