Hi Georg, You can use phenix.get_cc_mtz_mtz to superpose mtz map coeffs with mrc files. Let me know if that doesn't work for you! -Tom T On Sun, Nov 14, 2021 at 14:18 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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-- Thomas C Terwilliger Laboratory Fellow, Los Alamos National Laboratory Senior Scientist, New Mexico Consortium 100 Entrada Dr, Los Alamos, NM 87544 Email: [email protected] Tel: 505-431-0010

Hi Georg, 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. Pavel 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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