Using the .NET code below to generate 3D coordinates from a SMILES, Visual
Studio 15 simply exits the run-time. Thus, some type of an exception is being
thrown, which indicates gen3d may be a python or java method/function? Is
there an Imports that perhaps needs to be used to allow gen3d to run.
Dim OBConv2 As New OBConversion()
OBConv2.SetInAndOutFormats("smi", "sdf")
Dim Mol2 As New OBMol()
OBConv2.ReadString(Mol2, "C(Cl)(=O)CCC(=O)Cl")
Dim gen3d As OBOp = OBOp.FindType("Gen3D")
gen3d.Do(Mol2)
MsgBox(OBConv2.WriteString(Mol2))
FYI, when I don’t use gen3d and OBOp, but rather a conversion from SMILES to
xyz format, all of the coordinates are zero.
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