Re: [Rdkit-discuss] RDKit upgrade issue

2020-01-23 Thread Paolo Tosco
Hi Navid, the Descriptors module is not auto-imported when Chem is imported. So the first example will work if you do: from rdkit import Chem import rdkit.Chem.Descriptors Chem.Descriptors.MolWt(Chem.MolFromSmiles('CC')) Cheers, p. On 23/01/2020 17:26, Navid Shervani-Tabar wrote: Thanks,

Re: [Rdkit-discuss] RDKit upgrade issue

2020-01-23 Thread Navid Shervani-Tabar
Thanks, Paolo! That worked! But let me get this straight, if I use from rdkit import Chem Chem.Descriptors.MolWt(Chem.MolFromSmiles('CC')) it does not work, but when I do from rdkit import Chem from rdkit.Chem import Descriptors Descriptors.MolWt(Chem.MolFromSmiles('CC')) it works. Shouldn't

Re: [Rdkit-discuss] RDKit upgrade issue

2020-01-23 Thread Paolo Tosco
Hi Navid, try adding import rdkit.Chem.Descriptors before attempting to use MolWt. Cheers, p. On 23/01/2020 17:02, Navid Shervani-Tabar wrote: Update: I was able to go back to square one. Using RDKit-2019.09.3.0 I still get the error module 'rdkit.Chem' has no attribute 'Descriptors'

Re: [Rdkit-discuss] RDKit upgrade issue

2020-01-23 Thread Navid Shervani-Tabar
Update: I was able to go back to square one. Using RDKit-2019.09.3.0 I still get the error module 'rdkit.Chem' has no attribute 'Descriptors' when using Chem.Descriptors.MolWt. Navid On Thu, Jan 23, 2020 at 9:37 AM Navid Shervani-Tabar wrote: > Hello, > > I was trying to use the MolWt

[Rdkit-discuss] RDKit upgrade issue

2020-01-23 Thread Navid Shervani-Tabar
Hello, I was trying to use the MolWt function in RDKit. I tried Chem.Descriptors.MolWt but I got module 'rdkit.Chem' has no attribute 'Descriptors' I thought that might be related to the fact that I used the 2019.03 version. So I updated using conda install -c conda-forge rdkit But now when I