reciprocalspaceship.io.write_ccp4_map

reciprocalspaceship.io.write_ccp4_map(realmap, mapfile, cell, spacegroup)[source]

Write CCP4 map file from NumPy array of real-space density.

Parameters:

realmap (np.ndarray) – 3D NumPy array of real-space, voxelized electron density
mapfile (str) – Filename to which map will be written
cell (gemmi.UnitCell) – Unit cell parameters to use in map file
spacegroup (gemmi.SpaceGroup) – Spacegroup to use in map file