Hi German,
GetNumConjGrps is not a function of the Chem module, but a method of the
ResonanceMolSupplier class. You have to create a resonance mol supplier
object first, for example:
>>> supp = Chem.ResonanceMolSupplier(mol)
>>> supp.GetNumConjGrps()
2
Hope this helps,
Ivan
On Tue, Sep 28,
Hello,
I am trying to use:
https://www.rdkit.org/docs/source/rdkit.Chem.rdchem.html#rdkit.Chem.rdchem.ResonanceMolSupplier.GetNumConjGrps
But I keep getting this error message:
module 'rdkit.Chem' has no attribute 'GetNumConjGrps
I'd like to use this to find the conjugated group number as
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