Update mdonatello.py

radius of gyration
talagayev · Dec 11, 2024 · f133d21 · f133d21
1 parent b5beeaf
commit f133d21
Showing 1 changed file with 2 additions and 0 deletions.
diff --git a/mdonatello/mdonatello.py b/mdonatello/mdonatello.py
@@ -33,6 +33,7 @@
     Stereocenters,
     HeavyAtoms,
     AllAtoms,
+    RadiusOfGyration,
     HeavyAtomsWeight,
 )
 
@@ -289,6 +290,7 @@ def update_display(self, _=None):
                 HeavyAtoms(self.current_mol),
                 AllAtoms(self.current_mol),
                 HeavyAtomsWeight(self.current_mol),
+                RadiusOfGyration(self.current_mol),
             ]
             physiochem_html = [
                 HTML(str(prop)) for prop in physiochem_properties