test_lig_command_line.fasc

{"pdb_name": "test_lig_command_line", "decoy": "test_lig_command_line_0.pdb", "filename": "test_lig_command_line_0.pdb", "nstruct": 1, "angle_constraint": 0.0, "atom_pair_constraint": 0.0, "chainbreak": 0.0, "coordinate_constraint": 0.0, "dihedral_constraint": 0.0, "dslf_ca_dih": 0.0, "dslf_cs_ang": 0.0, "dslf_ss_dih": 0.0, "dslf_ss_dst": 0.0, "fa_atr": -1720.034660009436, "fa_dun": 1201.342930183704, "fa_elec": -119.58421044646944, "fa_pair": -54.7674349380936, "fa_rep": 601.4873300603114, "fa_sol": 820.0837377526735, "hbond_bb_sc": -73.03263033585596, "hbond_lr_bb": -94.9854721612635, "hbond_sc": -31.397480896453548, "hbond_sr_bb": -179.40276137283038, "omega": 0.860193030617977, "p_aa_pp": -39.842971723938696, "pro_close": 115.2064908986516, "ref": -47.01999999999995, "total_score": 378.91306004161754, "rmsd": 0.0}