From 16316fa24cbc9b66a1dbcf9fd8e18506c35d7b91 Mon Sep 17 00:00:00 2001 From: Navan Chauhan Date: Sat, 17 Oct 2020 15:42:10 +0530 Subject: wip --- app/dock-manual.py | 2 ++ 1 file changed, 2 insertions(+) (limited to 'app/dock-manual.py') 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() -- cgit v1.2.3