On Thu, Mar 8, 2012 at 6:04 PM, Nicholas Firth wrote:
> Hi All,
> I've run into a few more problems with Fingerprinting, I'm trying to create
> a database of these fingerprints, I've tried a few different methods to
> write the fingerprints
>
> SparseIntVect *finger;
> mol=SmilesToMol(line);
> fin
Am 08.03.2012 18:04, schrieb Nicholas Firth:
> cout << finger.toString() << endl;
give finger->toString() a try.
regards
uwe
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Hi All,
I've run into a few more problems with Fingerprinting, I'm trying to create a
database of these fingerprints, I've tried a few different methods to write the
fingerprints
SparseIntVect *finger;
mol=SmilesToMol(line);
finger = MorganFingerprints::getFingerprint(*mol, 2);
cout << finger.to
