Re: [Rdkit-discuss] Partial Charges with RDKIT

Hi Cedric, On Wed, May 5, 2010 at 11:42 AM, Cedric MORETTI wrote: > Hello all, > > I calculate a descriptor with RDKIT and in the manual in chapter 14, there > are a list of descriptor… It’s writing Partial Charges… > > But when I am looking my data I didn’t fond. > > I have this descriptor ( I r

[Rdkit-discuss] Partial Charges with RDKIT

Hello all, I calculate a descriptor with RDKIT and in the manual in chapter 14, there are a list of descriptor... It's writing Partial Charges... But when I am looking my data I didn't fond. I have this descriptor ( I remove the fragments descriptor) Smiles,BalabanJ,BertzCT,Chi0,Chi0n,Chi0v,Chi