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License on the "constrained conformers" snippet

Hi there,

Someone mentioned to me your script for constrained conformers:
https://github.com/JoshuaMeyers/Snippets/blob/master/200405_constrained_conformers.ipynb

I cannot see any license info there. Are you happy for it to be used freely by others under MIT or some other permissive license?

Thanks!

Bug in generate_conformers

I think you have a bug the generate_conformers function

    for i in range(num_conf):
        temp_mol = Chem.Mol(mol_wh)  # copy to avoid inplace changes
        AllChem.ConstrainedEmbed(temp_mol, core1, randomseed=i)
#  Change the line below to assign the return value of RemoveHs like this
        temp_mol = Chem.RemoveHs(temp_mol)
# -----------------------------------------------
        conf_idx = outmol.AddConformer(temp_mol.GetConformer(0), assignId=True)
        if minimum_conf_rms is not None:
            if duplicate_conformers(outmol, conf_idx, rms_limit=minimum_conf_rms):
                dup_count += 1
                outmol.RemoveConformer(conf_idx)

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