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authorNavan Chauhan <navanchauhan@gmail.com>2020-10-17 15:42:10 +0530
committerNavan Chauhan <navanchauhan@gmail.com>2020-10-17 15:42:10 +0530
commit16316fa24cbc9b66a1dbcf9fd8e18506c35d7b91 (patch)
tree286d163b28a340d938cc7b473f8f1f7004caafba /app
parent6fe0c3114b33471ae640ec5887f77b2ba33cc35c (diff)
wip
Diffstat (limited to 'app')
-rw-r--r--app/dock-manual.py2
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()