Module livedesign_pldb_lib
Run initialize and check_status in task engine directory.
Need api_client.py and convert_pse.py; modify paths to these scripts
in this file as needed.
Include STATE_FILE and all files referenced by STATE_FILE
Example format of STATE_FILE:
    [
        {"input_files": {"receptor_pse": "2.pse", "ligand_pse": "1.pse"},
        "output_files": {"receptor_pse": "pldb_out_1_receptor_pse.pse",
                       "ligand_pse": "pldb_out_1_ligand_pse.pse"}
        "complex": {"complex_id": 20,
                  "status": [finished|failed|running],
                  "structure_uri": "/api/v1/structures/1"}},
        {"input_files": {"receptor_pse": "2.pse", "ligand_pse": "3.pse"},
        "output_files": {"receptor_pse": "pldb_out_2_receptor_pse.pse",
                       "ligand_pse": "pldb_out_2_ligand_pse.pse"}
        "complex": {"complex_id": 5,
                  "status": [finished|failed|running],
                  "structure_uri": '/api/v1/structures/2'}}
    ]
    |  |  | 
    |  | 
        
          | upload_complex_dict(api_client,
        complex_dict) |  |  | 
    |  |  | 
    |  | 
        
          | check_download_complex_dict(api_client,
        complex_dict) |  |  | 
    |  | 
        
          | make_pse_filename(pldb_id,
        file_type) |  |  | 
    |  | 
        
          | execute_pymol_script(pymol_script_name,
        args) |  |  | 
    |  |  | 
    |  | CONVERT_SCRIPT = os.path.join(os.path.dirname(pldbclient.__fil... | 
    |  | STATE_FILE = 'pldb-state.json' | 
    |  | LIG_REC_PIPELINE = 'ligand_receptor_pipeline' | 
| CONVERT_SCRIPT
   
    Value:| 
os.path.join(os.path.dirname(pldbclient.__file__), 'convert_pse.py')
 | 
 |