This may help:
http://baoilleach.blogspot.co.uk/2012/01/visualising-fragments-in-path-based.html
On 25 November 2014 at 20:07, Wallace Chan wrote:
> Dear All,
>
> I've been using OpenBabel's FP2 fingerprint to calculate a ligand profile
> for each of my proteins, but I've run into a snag and wan
Dear All,
I've been using OpenBabel's FP2 fingerprint to calculate a ligand profile
for each of my proteins, but I've run into a snag and want to confirm my
understanding. To my knowledge, the FP2 fingerprint is path-based in that
fragments up to 7 atoms long are recorded. What I don't understand
