Re: [Rdkit-discuss] 3d descriptors generation

Thanks Greg and Paul for clarification . Hoping to get the release soon. Cheers, Abhik Seal Ph.D. (Cheminformatics) On Thu, Jul 13, 2017 at 1:10 PM, Greg Landrum wrote: > To further elaborate on this: the new 3D descriptors are currently > available in github and

Re: [Rdkit-discuss] 3d descriptors generation

To further elaborate on this: the new 3D descriptors are currently available in github and will be in the next release, but they aren't in the 2017.03 release. On Thu, Jul 13, 2017 at 7:43 PM, Paul Emsley wrote: > On 13/07/17 18:19, Abhik Seal wrote: > > Hello > > I

Re: [Rdkit-discuss] 3d descriptors generation

On 13/07/17 18:19, Abhik Seal wrote: Hello I am trying to generate 3d descriptors like RDF/MORSE using with 2017.03.01 release of rdkit and i am getting an error like module' object has no attribute 'CalcRDF' . I have Eigen3 installed as well. Any point outs what can be the issue ? Here is

[Rdkit-discuss] 3d descriptors generation

Hello I am trying to generate 3d descriptors like RDF/MORSE using with 2017.03.01 release of rdkit and i am getting an error like module' object has no attribute 'CalcRDF' . I have Eigen3 installed as well. Any point outs what can be the issue ? Here is the code from rdkit import Chem from