Update trmsfkit.py

Fixed transpose the trmsf data.
pablo-arantes · Jul 2, 2024 · e809a53 · e809a53
1 parent da68efd
commit e809a53
Showing 1 changed file with 3 additions and 1 deletion.
diff --git a/tRMSF/trmsfkit.py b/tRMSF/trmsfkit.py
@@ -93,9 +93,11 @@ def _single_frame(self):
             avg_coordinates = self.avg_coordinates / self.seg_length
             # diff = self.reference_positions - avg_coordinates
             rmsf = np.sqrt(np.sum(avg_coordinates, axis=1))
-            self.results.trmsf[seg_num] = rmsf.T
+            self.results.trmsf[seg_num] = rmsf
 
     def _conclude(self):
         if not (self.results.trmsf >= 0).all():
             raise ValueError("Some RMSF values negative; overflow or underflow occurred")
+        else:
+            self.results.trmsf = self.results.trmsf.T