Hi - welcome to the community You have a typo there GenMACCSkeys
Should actually be GenMACCSKeys (ie an uppercase "K" in Keys) Try ipython (with the ipython notebook) then autocomplete will solve those issues for you more or less. The notebook is cool and there is some info in the mailing list on how to use it. Ciao Nik On 7/4/13 9:16 AM, "[email protected]" <[email protected]> wrote: >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 ------------------------------------------------------------------------------ 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
