[Open Babel] Problem with conversion to fingerprints

2010-04-07 Thread Francesco Napolitano
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

Re: [Open Babel] Problem with conversion to fingerprints

2010-04-08 Thread Francesco Napolitano
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"