Moving phi_psi_2_data from phenix

cctbx · Oct 21, 2024 · f199be7 · f199be7
1 parent 7c34c16
commit f199be7
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Showing 3 changed files with 673 additions and 4 deletions.
diff --git a/mmtbx/geometry_restraints/ramachandran.py b/mmtbx/geometry_restraints/ramachandran.py
@@ -406,7 +406,7 @@ def _get_motifs():
           weight       = weight)
         self.append_emsley8k_proxies(proxy, n_seq)
       elif r_type == 'phi_psi_2':
-        from phenix.pdb_tools.phi_psi_2_data import get_phi_psi_key_for_rama_proxy
+        from mmtbx.validation.phi_psi_2_data import get_phi_psi_key_for_rama_proxy
         if phi_psi_2_motifs is None: phi_psi_2_motifs = _get_motifs()
         if(  r_eval is favored): strategy=self.params.phi_psi_2.favored_strategy
         elif(r_eval is allowed): strategy=self.params.phi_psi_2.allowed_strategy
@@ -538,7 +538,7 @@ def target_and_gradients(self,
           epsilon        = 1.0) # XXX
       overall_residual_sum += flex.sum(self.residuals_array_emsley8k)
     # phi/psi/2
-    from phenix.pdb_tools.phi_psi_2_data import get_rama_table
+    from mmtbx.validation.phi_psi_2_data import get_rama_table
     self.residuals_array_phi_psi_2 = None
     n_phi_psi_2_proxies = self.get_n_phi_psi_2_proxies()
     if n_phi_psi_2_proxies:
@@ -747,7 +747,7 @@ def load_emsley8k_tables():
   return tables
 
 def load_phi_psi_2_tables():
-  from phenix.pdb_tools.phi_psi_2_data import load_phi_psi_2_rama_restraints_tables
+  from mmtbx.validation.phi_psi_2_data import load_phi_psi_2_rama_restraints_tables
   return load_phi_psi_2_rama_restraints_tables()
 
 class ramachandran_plot_data(object):

diff --git a/mmtbx/secondary_structure/ss_validation.py b/mmtbx/secondary_structure/ss_validation.py
@@ -16,7 +16,7 @@
 ext = bp.import_ext("mmtbx_validation_ramachandran_ext")
 from mmtbx_validation_ramachandran_ext import rama_eval
 from mmtbx.validation import ramalyze
-from phenix.pdb_tools.phi_psi_2_data import phi_psi_2_mask_class
+from mmtbx.validation.phi_psi_2_data import phi_psi_2_mask_class
 
 master_phil_str = '''
 ss_validation {