Re: [Rdkit-discuss] origin of GetO3A?

Dear Hannes, the Open3DALIGN algorithm is described here: /Journal of Computer-Aided Molecular Design/ *2011*, /25/, 777-783 doi Cheers, p. On 05/25/17 10:06, Hannes Loeffler wrote: Hi, I am just trying to figure out how the Open3DALIGN works (

[Rdkit-discuss] origin of GetO3A?

Hi, I am just trying to figure out how the Open3DALIGN works (rdkit.Chem.rdMolAlign.GetO3A()). The original code seems to suggest that it uses M. Petitjean's SDM/RMS algorithm. Is that right? Many thanks, Hannes. -- Ch