| { | |
| "source": "MD.hdf5 raw arrays, EXHAUSTIVE over all 16972 complexes", | |
| "n_complexes": 16972, | |
| "bsasa_negative": { | |
| "frames": 4713, | |
| "frames_total": 1697200, | |
| "complexes": 601, | |
| "pct_frames": 0.2777, | |
| "pct_complexes": 3.54 | |
| }, | |
| "rmsd_ligand_gt_10A": { | |
| "frames": 45941, | |
| "frames_total": 1697500, | |
| "complexes": 1018, | |
| "pct_complexes": 6.0 | |
| }, | |
| "note": "read from the RAW arrays, so 6CC9's 400-value rmsd_ligand/distance are included; the shipped subsamples store NaN for those two fields on that complex" | |
| } |