Kripo PDB Dec 2015

<p>KRIPO stands for Key Representation of Interaction in POckets.</p> <p>All fragments form all proteins-ligand complexes in PDB compared with all.<br> Data set contains PDB entries that where available at 23 December 2015.</p> <p>* Kripo.*.sqlite - Fragments sqlite database<br> * Distance matrix is too big to ship with VM so use http://3d-e-chem.vu-compmedchem.nl/kripodb webservice url to query.<br> * kripo_fingerprint_2015_*.fp.gz - Fragment fingerprints, see https://github.com/3D-e-Chem/kripodb/blob/master/README.md#create-distance-matrix-from-text-files for instructions how to convert to a distance matrix.</p> <p>Dataset was generated using http://dx.doi.org/10.5281/zenodo.53891</p> <p> </p