openbable dockerfile and sample code

app.py

@@ -0,0 +1,15 @@
+from openbabel import openbabel
+
+mol = openbabel.OBMol()
+print(mol.NumAtoms()) #Should print 0 (atoms)
+
+a = mol.NewAtom()
+a.SetAtomicNum(6)   # carbon atom
+a.SetVector(0.0, 1.0, 2.0) # coordinates
+
+b = mol.NewAtom()
+mol.AddBond(1, 2, 1)   # atoms indexed from 1
+print(mol.NumAtoms()) #Should print 2 (atoms)
+print(mol.NumBonds()) 
+
+mol.Clear();