Skip to content

Commit

Permalink
[pre-commit.ci] auto fixes from pre-commit hooks
Browse files Browse the repository at this point in the history
  • Loading branch information
pre-commit-ci[bot] committed Nov 18, 2024
1 parent 0fe26cd commit cb913cc
Showing 1 changed file with 1 addition and 1 deletion.
2 changes: 1 addition & 1 deletion molSimplify/Classes/mol3D.py
Original file line number Diff line number Diff line change
Expand Up @@ -3910,7 +3910,7 @@ def writemol2(self, filename, writestring=False, ignoreX=False, force=False):
filename = filename.split('.')[0]+'.mol2'
with open(filename, 'w') as file1:
file1.write(ss)

def closest_H_2_metal(self, delta=0):
"""
Get closest hydrogen atom to metal.
Expand Down

0 comments on commit cb913cc

Please sign in to comment.