I would like to merge together several ccp4 formatted density maps (and do a few minor things).
So ideally I would like to open the ccp4/mrc files as numpy arrays in Python 3 and save the array as a ccp4 file. CCTBX can open ccp4 maps as numpy arrays, but I really would like to avoid using Python 2.7 for various reasons.
This is to be used for constraining energy minimisation in PyRosetta using the
pyrosetta.rosetta.protocols.electron_density.SetupForDensityScoringMover mover/sampler. But its
pyrosetta.rosetta.core.scoring.electron_density.getDensityMap data loader only likes ccp4/mrc files (density maps) and not mtz files (structure factor maps).
From what I can tell there is no way to fudge a ccp4 map from a mtz map, correct? The fact that only ePDB provides ccp4 maps makes me want to use mtz files.
CCP4's Blend can merge datasets but uses only mtz files...