Added "z_coordinates" attribute, which measures the z coordinates of …

…the Cb atoms of the pdb structure
HanaJaafari · Sep 17, 2024 · dbfba01 · dbfba01
1 parent cf99789
commit dbfba01
Showing 1 changed file with 2 additions and 0 deletions.
diff --git a/frustratometer/classes/Structure.py b/frustratometer/classes/Structure.py
@@ -155,6 +155,8 @@ def __init__(self, pdb_file: Union[Path,str], chain: Union[str,None]=None, seq_s
                                                      method=self.distance_matrix_method)
         self.full_pdb_distance_matrix=self.distance_matrix
 
+        self.z_coordinates=self.structure.select('((name CB) or (resname GLY and name CA))').getCoords()
+
         if self.seq_selection!=None:
             self.distance_matrix=self.distance_matrix[self.init_index_shift:self.fin_index_shift,
                                                     self.init_index_shift:self.fin_index_shift]