When I try to use the Make3D() for toluene type compound it gives an unlikely
final conformation with an extremely long C-C bond in the ring.
mymol3 = pybel.readstring("smi", "Cc1ccc(cc1N=C=O)N=C=O")
mymol3.make3D()
print("after make3D")
print(mymol3.write("pdb"))
Can anyone help point in the the right direction to generate a minimum
energy conformation?
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