fix anisous shape error

jamesmkrieger · Nov 3, 2023 · be07b5b · be07b5b
1 parent 6a803ad
commit be07b5b
Showing 1 changed file with 3 additions and 0 deletions.
diff --git a/prody/atomic/atomgroup.py b/prody/atomic/atomgroup.py
@@ -604,6 +604,9 @@ def addCoordset(self, coords, label=None, anisous=None):
         if coords.ndim == 2:
             coords = coords.reshape((1, n_atoms, 3))
 
+        if anisous.ndim == 2:
+            anisous = anisous.reshape((1, n_atoms, 6))
+
         diff = coords.shape[0]
         self._coords = np.concatenate((self._coords, coords), axis=0)
         if anisous is not None and self._anisous is not None: