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authorNavan Chauhan <navanchauhan@gmail.com>2020-10-17 18:37:11 +0530
committerNavan Chauhan <navanchauhan@gmail.com>2020-10-17 18:37:11 +0530
commit4120c8a2c7f3c578a7dfc92f9cb3ae5d5f76b599 (patch)
tree247c69f2f81b8638a3f696e451bad7cd0cb4973d /app
parent59cb8d5f43b670dd83abd73e4378ca0baa0ec39e (diff)
uncommented 3d model generation
Diffstat (limited to 'app')
-rw-r--r--app/dock-manual.py4
1 files 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()