Update difflinker_sample_and_analyze.py

globus-labs · Sep 27, 2023 · d20a06e · d20a06e
1 parent f73d202
commit d20a06e
Showing 1 changed file with 6 additions and 6 deletions.
diff --git a/utils/difflinker_sample_and_analyze.py b/utils/difflinker_sample_and_analyze.py
@@ -126,12 +126,12 @@ def sample_fn(_data):
         print('Please upload the file in one of the following formats: .pdb, .sdf, .mol, .mol2')
         return
 
-    try:
-        molecules = read_molecules(input_path)
-        # molecules = [Chem.RemoveAllHs(i) for i in molecules]
-        name = '.'.join(input_path.split('/')[-1].split('.')[:-1])
-    except Exception as e:
-        return f'Could not read the molecule: {e}'
+    # try:
+    #     molecules = read_molecules(input_path)
+    #     # molecules = [Chem.RemoveAllHs(i) for i in molecules]
+    #     name = '.'.join(input_path.split('/')[-1].split('.')[:-1])
+    # except Exception as e:
+    #     return f'Could not read the molecule: {e}'
 
     molecules = read_molecules(input_path)
     # molecules = [Chem.RemoveAllHs(i) for i in molecules]