src/main.py

@@ -2,15 +2,3 @@
 # Build first residue including sidechain
 # Add ghost C' for first NeRF iteration
 # Using C 
-
-from protein.residue import Residue, ResidueName
-from geometry.backbone import GEO, ORI
-
-met1 = Residue(ResidueName.MET)
-
-print(met1.name.value)
-
-for atom in ORI:
-    met1.backbone["atoms"][atom] = ORI[atom]
-
-print(met1.backbone["atoms"])

src/protein/residue.py

@@ -29,12 +29,12 @@ class Residue():
         self.name = name
 
         self.backbone = {
-            'atoms': { "N": None, "CA": None, "C": None, "O": None },
+            atoms: { "N": None, "CA": None, "C": None, "O": None },
-            'phi': None,
+            phi: None,
-            'psi': None
+            psi: None
         }
         
         self.sidechain = {
-            'atoms': {},
+            atoms: {},
-            'chis': []
+            chis: []
         }