posebusters_summary.json

{
  "n_structures": 144,
  "source_glob": "pdb_binders_b2_n22/**/predictions/**/*.pdb",
  "checks": [
    {
      "check": "all_atoms_connected",
      "pass_rate": 0.0,
      "n_pass": 0,
      "n": 144
    },
    {
      "check": "internal_steric_clash",
      "pass_rate": 9.027777777777777,
      "n_pass": 13,
      "n": 144
    },
    {
      "check": "mol_pred_loaded",
      "pass_rate": 100.0,
      "n_pass": 144,
      "n": 144
    },
    {
      "check": "sanitization",
      "pass_rate": 100.0,
      "n_pass": 144,
      "n": 144
    },
    {
      "check": "inchi_convertible",
      "pass_rate": 100.0,
      "n_pass": 144,
      "n": 144
    },
    {
      "check": "no_radicals",
      "pass_rate": 100.0,
      "n_pass": 144,
      "n": 144
    },
    {
      "check": "bond_lengths",
      "pass_rate": 100.0,
      "n_pass": 144,
      "n": 144
    },
    {
      "check": "bond_angles",
      "pass_rate": 100.0,
      "n_pass": 144,
      "n": 144
    },
    {
      "check": "aromatic_ring_flatness",
      "pass_rate": 100.0,
      "n_pass": 144,
      "n": 144
    },
    {
      "check": "non-aromatic_ring_non-flatness",
      "pass_rate": 100.0,
      "n_pass": 144,
      "n": 144
    },
    {
      "check": "double_bond_flatness",
      "pass_rate": 100.0,
      "n_pass": 144,
      "n": 144
    },
    {
      "check": "internal_energy",
      "pass_rate": 100.0,
      "n_pass": 144,
      "n": 144
    }
  ],
  "all_pass_rate": 0.0,
  "vacuous_checks": [
    "aromatic_ring_flatness",
    "bond_angles",
    "bond_lengths",
    "double_bond_flatness",
    "internal_energy",
    "non-aromatic_ring_non-flatness"
  ],
  "connectivity": {
    "single_fragment": 0,
    "n": 144,
    "median_fragments": 40.5
  },
  "peptide_len_min": 5,
  "peptide_len_max": 23
}