OneScience-Group/flex_ddG_tutorial

1{2  "project": "flex_ddG_tutorial",3  "purpose": "Directory layout metadata only. This file is not used by the runtime scripts.",4  "layout": {5    "conf": {6      "description": "Rosetta XML protocols and related protocol configuration files.",7      "paths": [8        "conf/ddG-backrub.xml",9        "conf/ddG-no_backrub_control.xml",10        "conf/per_chain_rescore.xml",11        "conf/split_protocol/",12        "conf/fig-overview.png"13      ]14    },15    "scripts": {16      "description": "Python entry points, helper modules, and bundled example input data.",17      "paths": [18        "scripts/run_example_1.py",19        "scripts/run_example_2_saturation.py",20        "scripts/analyze_flex_ddG.py",21        "scripts/extract_structures.py",22        "scripts/inputs/"23      ]24    },25    "root": {26      "description": "Top-level documentation, license, and static overview assets.",27      "paths": [28        "README.md",29        "LICENSE"30      ]31    }32  }33}34