Пример #1
0
 def _compute_d_model(self):
   if(not self.params.compute.d_model): return
   if(self.xray_structure is not None):
     o = resolution_from_map_and_model.run(
       f_map            = self.f_map,
       d_fsc_model      = self.d_fsc_model_0,
       xray_structure   = self.xray_structure)
     self.d_model       = o.d_min
     self.b_iso_overall = o.b_iso
     self.d_model_b0    = o.d_model_b0
Пример #2
0
 def _compute_d_model(self):
     if (not self.params.compute_d_model): return
     if (self.pdb_hierarchy is not None):
         o = resolution_from_map_and_model.run(
             map_data=self.box.map_data,
             xray_structure=self.box.xray_structure,
             pdb_hierarchy=self.box.pdb_hierarchy,
             d_min_min=1.7,
             nproc=self.params.nproc)
         self.d_model = o.d_min
         self.b_iso_overall = o.b_iso