Пример #1
0
def output_mean_map(template_xmap, mean_map_np, path):
    print("Outputting mean map to: {}".format(path))
    spacegroup = template_xmap.xmap.spacegroup
    cell = template_xmap.xmap.cell
    grid = template_xmap.xmap.grid_sampling
    grid_params = (
        grid.nu,
        grid.nv,
        grid.nw,
    )
    # resolution = template_xmap.hkl_info.resolution
    mean_map_xmap = MCDXMap.xmap_from_numpy(
        spacegroup,
        cell,
        # resolution,
        grid_params,
        mean_map_np,
    )

    mean_map_xmap.to_ccp4(path)
 def __call__(self):
     return MCDXMap.xmap_from_dataset(
         self.d,
         resolution=clipper_python.Resolution(self.min_res),
         grid_params=self.grid_params,
     )
Пример #3
0
def wrap_xmap_from_dataset(dataset, resolution=Resolution(0)):
    return MCDXMap.xmap_from_dataset(dataset, resolution=resolution)