diff options
Diffstat (limited to 'app/dock-manual.py')
| -rw-r--r-- | app/dock-manual.py | 2 |
1 files changed, 2 insertions, 0 deletions
diff --git a/app/dock-manual.py b/app/dock-manual.py index eb11b6a..7549fed 100644 --- a/app/dock-manual.py +++ b/app/dock-manual.py @@ -75,6 +75,7 @@ with tempfile.TemporaryDirectory() as directory: mycursor.execute('UPDATE curieweb set done=1 where id="%s"' % (jobID)) mycon.commit() sys.exit(0) + """ res = get3DModel(receptor_name,ligand_name.replace(".pdbqt","_out.pdbqt")) if res == None: reason = "Could not generate the 3D models." @@ -101,6 +102,7 @@ with tempfile.TemporaryDirectory() as directory: copyfile("model.usdz",os.path.join(modelDirectory,(str(jobID)+".usdz"))) except FileNotFoundError: print("Could not generate USDZ file") + """ email(toaddr,jobID,date,description,zipArchive=zi) mycursor.execute('UPDATE curieweb set done=1 where id="%s"' % (jobID)) mycon.commit() |