make name upper case

MDAnalysis · Jun 14, 2023 · cbce66c · cbce66c
1 parent 8069406
commit cbce66c
Showing 1 changed file with 2 additions and 2 deletions.
diff --git a/package/MDAnalysis/topology/guessers.py b/package/MDAnalysis/topology/guessers.py
@@ -206,10 +206,10 @@ def guess_atom_element(atomname):
         no_symbols = re.sub(SYMBOLS, '', atomname)
         no_numbers = re.split(NUMBERS, no_symbols)
 
-        if (list(filter(None, no_numbers)) == []):
+        if list(filter(None, no_numbers)) == []:
             name = ''
         else:
-            name = list(filter(None, no_numbers))[0]
+            name = list(filter(None, no_numbers))[0].upper()
 
         # just in case
         if name in tables.atomelements: