Remove test set reflections from a map file with remove_free_from_map



remove_free_from_map is a tool to remove test set reflections from a map coefficients file so that the map can be used in real-space refinement without including the test set reflections.

NOTE: Normally remove_free_from_map is called from build_one_model or phase_and_build, but you can run it interactively if you want.


How remove_free_from_map works:

remove_free_from_map uses resolve to set all test set reflections to zero.

Output files from remove_free_from_map

map_coeffs_without_freer_set.mtz: An MTZ file with test set reflections set to F=0


Standard run of remove_free_from_map:

Running remove_free_from_map is easy. From the command-line you can type:

phenix.remove_free_from_map   map_coeffs.mtz free_r.mtz

where free_r.mtz has your FreeR_flag indicating which reflections are in the test set.