Hi everybody.
I have a problem. I want to convert a number of smiles to binary
fingerprints using babel. Trying "babel mols.smi -ofpt -xhfFP2" will
also output information about sabstructures and similarities which I did
not expect and don't need. Is there a way to just get the converted
molecules
stions and comments appreciated.
Cheers,
Francesco.
Il giorno mar, 06/04/2010 alle 18.05 +0200, Francesco Napolitano ha
scritto:
> Hi everybody.
>
> I have a problem. I want to convert a number of smiles to binary
> fingerprints using babel. Trying "babel mols.smi -ofpt -xhfFP2"