Paul,
> > nPossible = [0]+[2]*ndescrs+[3] > > > > Then it should work. > > > Where does ndescrs come from? > > Using the MorganFingerprint example from the Wiki: > # build fingerprints: > fps = [AllChem.GetMorganFingerprintAsBitVect(x,2,2048) for x in ms] > nPossible = [0]+[2]*fps+[3] > I'm new to this too, but I believe after [2] there should be the length of your fingerprint - in this case it's 2048: nPossible = [0]+[2]*2048+[3] Also, nPossible then goes into Grow() as an argument. Best regards, Igor ------------------------------------------------------------------------------ Achieve unprecedented app performance and reliability What every C/C++ and Fortran developer should know. Learn how Intel has extended the reach of its next-generation tools to help boost performance applications - inlcuding clusters. http://p.sf.net/sfu/intel-dev2devmay _______________________________________________ Rdkit-discuss mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
