correct deprotonation selection #198

a-r-j · Jul 27, 2022 · d494592 · d494592
1 parent bb4ba76
commit d494592
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/graphein/protein/graphs.py b/graphein/protein/graphs.py
@@ -149,7 +149,7 @@ def deprotonate_structure(df: pd.DataFrame) -> pd.DataFrame:
         "Deprotonating protein. This removes H atoms from the pdb_df dataframe"
     )
     return filter_dataframe(
-        df, by_column="atom_name", list_of_values=["H"], boolean=False
+        df, by_column="element_symbol", list_of_values=["H"], boolean=False
     )