(3.4) Fragment information storage. Each atom in the fragment is labeled with the name of its subpocket. The original attachment point(s) of each fragment is/are conserved and stored as dummy atom(s) and the subpocket of the former adjacent fragment is stored as a property. This allows to retrace the subpocket that the adjacent fragment was targeting in the original ligand (needed for the later recombination). Fragments are stored in structuredata files (SDF), one file for each subpocket pool as well as pool X. In addition to the structural information (3D coordinates, elements, and bonds), the following data are stored for each fragment: (i) PDB code of the original kinase-ligand complex and name of the ligand itself, (ii) chain and alternate model of this complex in KLIFS, (iii) kinase, kinase family, and kinase group, (iv) subpocket of each atom, including dummy atoms, and (v) BRICS environment type for each atom.