rstoolbox.io.parse_rosetta_json(filename)¶Read a json formated rosetta score file.
Only reads back scores, as those are the only content present in a JSON file.
| Parameters: | filename (str) – File containing the Rosetta score file. |
|---|---|
| Returns: | DesignFrame. |
Note
To be coherent with the silent files, the decoy id column name decoy is
changed to description.
| Raises: |
|
|---|
Example
In [1]: from rstoolbox.io import parse_rosetta_json
...: import pandas as pd
...: pd.set_option('display.width', 1000)
...: pd.set_option('display.max_columns', 500)
...: df = parse_rosetta_json("../rstoolbox/tests/data/score.json.gz")
...: df.head(2)
...:
Out[1]:
decoy BUNS B_ni_mtcontacts B_ni_rmsd B_ni_rmsd_threshold B_ni_trials GRMSD2Target GRMSD2Template LRMSD2Target LRMSDH2Target LRMSDLH2Target cav_vol design_score dslf_fa13 fa_atr fa_dun fa_elec fa_intra_rep fa_intra_sol_xover4 fa_rep fa_sol hbond_bb_sc hbond_lr_bb hbond_sc hbond_sr_bb linear_chainbreak lk_ball_wtd omega overlap_chainbreak p_aa_pp packstat pro_close rama_prepro ref rmsd_drift score time total_score yhh_planarity
0 classicFFL_FFL_nobinder_motif_DesignRelax_noaa_29791_3lhp_0001_0001 8.0 53.0 0.291 5.0 1.0 2.128 1.384 5.677 5.456 4.055 54.915001 -324.091003 0.0 -732.738583 149.235184 -275.543411 1.253973 31.280262 88.357561 543.389595 -4.686393 0.0 -40.850708 -103.520765 0.0 -3.588010 16.715420 0.0 -13.705695 0.671 0.053718 -15.905666 -8.2126 1.351 -368.466125 2.0 -368.466111 0.000006
1 classicFFL_FFL_nobinder_motif_DesignRelax_noaa_29791_3lhp_0002_0001 8.0 57.0 0.511 5.0 1.0 2.191 1.511 4.861 4.851 3.422 36.127998 -317.862000 0.0 -716.137088 126.224330 -245.466147 1.222102 25.186641 91.580503 494.009360 -6.161016 0.0 -29.839765 -103.311769 0.0 -4.324106 18.509592 0.0 -16.786566 0.638 0.115256 -18.818651 16.0042 1.299 -367.993103 0.0 -367.993094 0.000030