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 rdkit import rdBase
from rdkit import RDConfig
import os
from rdkit.Chem import rdMolDescriptors as rdMD
smi = 'CCC(C)COCCCC'
m = Chem.MolFromSmiles(smi)
r= rdMD.CalcRDF(m)+rdMD.CalcMORSE(m)
print r
Sincerely,
Abhik Seal Ph.D. (Cheminformatics)
------------------------------------------------------------------------------
Check out the vibrant tech community on one of the world's most
engaging tech sites, Slashdot.org! http://sdm.link/slashdot
_______________________________________________
Rdkit-discuss mailing list
Rdkit-discuss@lists.sourceforge.net
https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
