Hi Chris,
this might not be a great help, but it works for me on Ubuntu 22.04 with
RDKit 2021.09.5:
import rdkit
print(rdkit.__version__)
from rdkit import Chem
from rdkit.Chem.rdMolDescriptors import CalcNumAtoms
m = Chem.MolFromSmiles("c1ccccc1C(=O)NC")
print(CalcNumAtoms(m))
Output:
2021.09.5
19
According to Github, it was only added to the C++ MolDescriptors module
in June 2021:
https://github.com/rdkit/rdkit/commit/53523a4a1106e4e3b1a69ff26d0510225019e35c
KR Axel
On 14.07.22 12:46, Chris Swain via Rdkit-discuss wrote:
Hi,
If I try
from rdkit.Chem.rdMolDescriptors import CalcNumAtoms
I get
cannot import name 'CalcNumAtoms' from 'rdkit.Chem.rdMolDescriptors'
I can import a range of other descriptors fine
Using Python 3.7.6 and RDKit 2020.09.1
Cheers
Chris
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