CREDO version 01.2010 released!

A new version of the CREDO database has been released today comprising 41,691 protein-ligand complexes from the PDB.

New features include:

  • All contacts up to 6A are now stored
  • A new Variations tables has been added containing mutation information from dbSNP, EnsEMBL, OMIM and COSMIC
  • The Ligands table now contains an ism field to store isomeric SMILES (very useful for heteropeptides)
  • The LigandRing and ResidueRing tables now contain an is_hetero_aromatic field
  • FragmentProperties now contains all descriptors from OEMolProp
  • Several improvements to the CREDO API
    • For instructions on how to download and install the CREDO database, please go to the CREDO website.