{ "id": "naming-a-molecule_task1", "snapshot": "avogadro", "instruction": "在 Avogadro 中通过 Analysis → Properties → Molecular... 查看当前分子的 IUPAC 名称及相关性质。", "source": "custom", "config": [ { "type": "upload_file", "parameters": { "files": [ { "local_path": "evaluation_examples/data/avogadro/ethanol.sdf", "path": "C:\\Users\\user\\Desktop\\ethanol.sdf" } ] } }, { "type": "launch", "parameters": { "command": [ "C:\\Avogadro2\\bin\\avogadro2.exe", "C:\\Users\\user\\Desktop\\ethanol.sdf" ] } }, { "type": "sleep", "parameters": { "seconds": 5 } } ], "trajectory": "trajectories/", "related_apps": [ "avogadro" ], "evaluator": { "postconfig": [ { "type": "sleep", "parameters": { "seconds": 3 } } ], "func": "vllm_eval" }, "proxy": false, "fixed_ip": false, "possibility_of_env_change": "low", "metadata": { "input_files": ["ethanol.sdf"], "steps": "1. 打开 Avogadro 软件,确保已有分子载入。\n2. 在软件顶部菜单栏中,单击 'Analysis' 菜单。\n3. 在弹出的下拉菜单中,将鼠标悬停在 'Properties' 菜单项上以展开子菜单。\n4. 在弹出的子菜单中,单击 'Molecular...' 菜单项。\n5. 等待分子属性对话框窗口弹出。\n6. 在对话框中查看 'Molecule Name' 右侧显示的 IUPAC 名称及相关性质。", "steps_original": "1. 打开 Avogadro 软件,确保已有分子载入。\n2. 单击菜单栏中的 'Analyze'。\n3. 将鼠标悬停在 '属性(P)' 上展开子菜单。\n4. 单击 '分子的(M)...'。\n5. 在弹出的 '分子属性' 窗口中查看分子的 IUPAC 名称、分子质量、单同位素质量、化学式、原子数、键数、净电荷和净自旋多重度等相关信息。" } }