mirror of
https://github.com/mims-harvard/ToolUniverse.git
synced 2026-09-19 07:31:47 +08:00
Shanghua
59 lines
1.7 KiB
Python
59 lines
1.7 KiB
Python
"""
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Examples for using GPCRdb tools in ToolUniverse.
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GPCRdb is a comprehensive database for G protein-coupled receptors,
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which are targets of ~35% of all approved drugs.
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No authentication required.
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"""
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from tooluniverse import ToolUniverse
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def main():
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tu = ToolUniverse()
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tu.load_tools()
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print("=" * 60)
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print("GPCRdb (GPCR Database) Examples")
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print("=" * 60)
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# Example 1: Get beta-2 adrenergic receptor info
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print("\n1. Get ADRB2 (beta-2 adrenergic receptor) info:")
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print("-" * 40)
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result = tu.tools.GPCRdb_get_protein(operation="get_protein", protein="adrb2_human")
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if result["status"] == "success":
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data = result["data"]
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print(f"Entry: {data.get('entry_name', 'N/A')}")
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print(f"Name: {data.get('name', 'N/A')}")
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print(f"Family: {data.get('family', 'N/A')}")
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else:
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print(f"Error: {result['error']}")
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# Example 2: Get structures
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print("\n2. Get ADRB2 crystal structures:")
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print("-" * 40)
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result = tu.tools.GPCRdb_get_structures(operation="get_structures", protein="adrb2_human")
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if result["status"] == "success":
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print(f"Structures found: {result['data']['count']}")
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for struct in result["data"]["structures"][:3]:
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print(f" - PDB: {struct.get('pdb_code', 'N/A')}, State: {struct.get('state', 'N/A')}")
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else:
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print(f"Error: {result['error']}")
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# Example 3: Get ligands
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print("\n3. Get ADRB2 ligands:")
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print("-" * 40)
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result = tu.tools.GPCRdb_get_ligands(operation="get_ligands", protein="adrb2_human")
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if result["status"] == "success":
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print(f"Ligands found: {result['data']['count']}")
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else:
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print(f"Error: {result['error']}")
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if __name__ == "__main__":
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main()
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