From 4120c8a2c7f3c578a7dfc92f9cb3ae5d5f76b599 Mon Sep 17 00:00:00 2001 From: Navan Chauhan Date: Sat, 17 Oct 2020 18:37:11 +0530 Subject: [PATCH] uncommented 3d model generation --- app/dock-manual.py | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/app/dock-manual.py b/app/dock-manual.py index 7549fed..e7be650 100644 --- a/app/dock-manual.py +++ b/app/dock-manual.py @@ -75,7 +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." @@ -102,7 +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()