Skip to content

Commit bdbf41e

Browse files
committed
Commenting out S from atomtypedatabase.py
since this creates old sulfur atomTypes for tests
1 parent 12630e1 commit bdbf41e

1 file changed

Lines changed: 2 additions & 1 deletion

File tree

rmgpy/molecule/atomtypedatabase.py

Lines changed: 2 additions & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -79,7 +79,8 @@ def create_atom_types():
7979
#bivalent:
8080
bivalent = []
8181
for type in [Xs, Xd]:
82-
bivalent.extend(create_types(type, ['O', 'S']))
82+
#bivalent.extend(create_types(type, ['O', 'S']))
83+
bivalent.extend(create_types(type, ['O']))
8384

8485
for at in bivalent: at.lp = 2
8586

0 commit comments

Comments
 (0)