Esempi in Python per histogram_per_atom

Esempio n. 1

File: __init__.py Progetto: hainm/cctbx_project

 def map_cc_histogram_per_atom(self, radius=2, n_slots=10):
     self.assert_pdb_hierarchy_xray_structure_sync()
     from mmtbx.maps import correlation
     current_map = self.compute_map(xray_structure=self.xray_structure)
     return correlation.histogram_per_atom(
         map_1=current_map,
         map_2=self.target_map_object.map_data,
         sites_cart=self.xray_structure.sites_cart(),
         unit_cell=self.xray_structure.unit_cell(),
         radius=radius,
         n_slots=n_slots)

Esempio n. 2

File: __init__.py Progetto: cctbx/cctbx-playground

 def map_cc_histogram_per_atom(self, radius=2, n_slots=10):
   self.assert_pdb_hierarchy_xray_structure_sync()
   from mmtbx.maps import correlation
   current_map = self.compute_map(xray_structure = self.xray_structure)
   return correlation.histogram_per_atom(
     map_1      = current_map,
     map_2      = self.target_map_object.map_data,
     sites_cart = self.xray_structure.sites_cart(),
     unit_cell  = self.xray_structure.unit_cell(),
     radius     = radius,
     n_slots    = n_slots)