Hi all,
I just started using RDkit for chemoinformatics analysis.
I tried out this code in the tutorial but got an error(please advise):
The code:
from rdkit import Chem
from rdkit.Chem import MACCSkeys
nat = Chem.SDMolSupplier("nat.sdf")
fps = [MACCSkeys.GenMACCSkeys(x) for x in nat]
fp = DataStructs.FingerprintSimilarity(fps[0], fps[89])
print fp
The error message:
Traceback (most recent call last):
File "rdkittest2.py", line 7, in <module>
fps = [MACCSkeys.GenMACCSkeys(x) for x in nat]
AttributeError: 'module' object has no attribute 'GenMACCSkeys'
------------------------------------------------------------------------------
This SF.net email is sponsored by Windows:
Build for Windows Store.
http://p.sf.net/sfu/windows-dev2dev
_______________________________________________
Rdkit-discuss mailing list
[email protected]
https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
