From 16316fa24cbc9b66a1dbcf9fd8e18506c35d7b91 Mon Sep 17 00:00:00 2001
From: Navan Chauhan <navanchauhan@gmail.com>
Date: Sat, 17 Oct 2020 15:42:10 +0530
Subject: wip

---
 app/dock-manual.py | 2 ++
 1 file changed, 2 insertions(+)

(limited to 'app')

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()    
-- 
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