I am trying to calculate the principal moment of inertia (PMI) of a compound in PubChem. Is there a way to get this property directly from the script? If not, can you point me on how I can get the 3D conformer of the molecule that can be plugged into RDKit for further use with this - https://www.rdkit.org/docs/source/rdkit.Chem.Descriptors3D.html?
Dear team,
I am trying to calculate the principal moment of inertia (PMI) of a compound in PubChem. Is there a way to get this property directly from the script? If not, can you point me on how I can get the 3D conformer of the molecule that can be plugged into RDKit for further use with this - https://www.rdkit.org/docs/source/rdkit.Chem.Descriptors3D.html?
Thank you