Oh! I found my error! I had to set it as another molecule because it copies it to a new one instead of overwriting the current molecule.
On Sat, Dec 15, 2018 at 6:59 PM Justin Sanders <jmsanders...@gmail.com> wrote: > Hello, > > I’m trying to use Chem.RenumberAtoms to reassign all of the atom indices > of a molecule. But, when I do it and check the molecule, it still retains > the same indices as the molecule had at the start. > > For example: > > I constructed a simple molecule like ethanolamine. The original indices > assigned by RDKit were: > > N—C—C—O > 3 2 1 0 > > Chem.RenumberAtoms(ethanolamine, [3,2,1,0]) > > So according to the documentation, that should assign the oxygen with 3 > instead of 0 > > When I checked the symbol of atom index 0, it was oxygen again. > > What am I doing wrong? > > Also, I am using the latest conda build. > > Thanks >
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