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author | Navan Chauhan <navanchauhan@gmail.com> | 2020-10-17 15:42:10 +0530 |
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committer | Navan Chauhan <navanchauhan@gmail.com> | 2020-10-17 15:42:10 +0530 |
commit | 16316fa24cbc9b66a1dbcf9fd8e18506c35d7b91 (patch) | |
tree | 286d163b28a340d938cc7b473f8f1f7004caafba /app | |
parent | 6fe0c3114b33471ae640ec5887f77b2ba33cc35c (diff) |
wip
Diffstat (limited to 'app')
-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() |