Dear Developers:I want to calculate the Morgan Fingerprint of a molecule
smart, so I ran the code shown below.
from rdkit.Chem import AllChem
from rdkit import Chem
m1 = Chem.MolFromSmarts('[*:1]-[C;H0;+0:2](-[*:3])=[O;H0;+0:4]')
print (m1)
fp1 = AllChem.GetMorganFingerprint(m1,2)
print (fp1)
However, it raised error.
Could you help me to solve this issue?
The version of rdkit installed in my computer is 2019.03.01.
Thanks a lot
Best wishes.
shaozhen_______________________________________________
Rdkit-discuss mailing list
Rdkit-discuss@lists.sourceforge.net
https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
