[phenixbb] superpose mrc maps (and also mtz files)
pafonine at lbl.gov
Mon Nov 15 14:02:44 PST 2021
yes, phenix.match_maps is the tool for this. Example:
phenix.match_maps A.pdb A.mrc B.pdb B.mrc
The output will be B (model and map) superposed onto A (model and map).
A and B can have different unit cell parameters and space groups.
Also, instead of actual maps (mrc files) you can provide reflection data
files in MTZ format. In this case by default the program will calculate
and superpose 2mFo-DFc maps.
But... I've just fixed a bug in this tool that was reported yesterday..
So to use phenix.match_maps you'll need next available (successfully
created) nightly build, look for builds starting from *-4421.
On 11/14/21 13:18, Georg Mlynek wrote:
> Dear Scientific community,
> I got a few .mrc maps from collaborators. Is there a way in phenix to
> superpose models and corresponding mrc maps.
> Using superpose maps I get the error:" This file format CCP4 map is
> not supported as input for this field; only files of type
> 'Reflections' are allowed.
> Also the program Structure comparison does not recognize .mrc files.
> On top there are also a few mtz files I would like to superpose on the
> .mrc files.
> Many thanks, br Georg.
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