Pocketome release 18.4 (2018-04-26).
The single compressed (.tbz) file contains all Pocketome entries in XML format. The XML schema describes structure of a Pocketome entry XML file. Every Pocketome entry XML file was validated against the schema and the additional constraints on value space.
size: 7.7 Mb
Pocketome entry XML schema v. 105 (2014-07-08)
- The ideal chemical index represents ligand structures derived from residue libraries, limited to either single-residue molecules or molecules with standard connectivity.
- The PDB-based chemical index includes ligands with non-standard connectivity, but with possibly missing atoms.
- The 3D chemical index is the extended version of the PDB-based index that contains redundant ligands and 3D coordinates.
size: 74.5 Mb
size: 1.9 Mb
size: 97.0 Mb
size: 2.4 Mb
size: 189.8 Mb