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, 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 these be the same?
Thanks,
Navid
On Thu, Jan 23, 2020 at 12:07 PM Paolo Tosco
<paolo.tosco.m...@gmail.com <mailto:paolo.tosco.m...@gmail.com>> wrote:
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'
when using Chem.Descriptors.MolWt.
Navid
On Thu, Jan 23, 2020 at 9:37 AM Navid Shervani-Tabar
<nshe...@gmail.com <mailto:nshe...@gmail.com>> wrote:
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 import
from rdkit.Chem.QED import qed
I get
Process finished with exit code 139 (interrupted by signal
11: SIGSEGV)
Any suggestions how to fix this?
Thanks!
Navid
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