HARP Analysis of cryoEM Structures in the PDB

HARP_results.hdf5 contains the results of a hierarchical atomic resolution perception (HARP) calculation on each of the cryoEM structures deposited in the Protein Data Bank (PDB) prior to January 1, 2023. Top-level group names are the PDB IDs of the structures. HDF5 group attributes for each entry are certain metadata extracted from the mmCIF files associated with each entry. HDF5 datasets within each group are indexed relative to each other (i.e., are of the same length). They are:

• authids (char): the author deposited ID of each residue (e.g., "114")
• chains (char): the chain ID of each residue (e.g., "AC")
• resids (int): the residue index of each residue (e.g., 12)
• renames (char): the residue name of each residue (e.g., "cys")
• probs (double): the HARP probability value, P, for each residue (e.g., 0.897)