mirror of
https://github.com/mims-harvard/ToolUniverse.git
synced 2026-09-19 07:31:47 +08:00
Shanghua Gao
9f7070ed7b
### **Visualization Suite** - 2D/3D molecular visualization with interactive HTML output - Protein structure rendering with multiple visualization styles - Scientific plotting with Plotly, Matplotlib, and NetworkX ### **Coding API** - Type-safe function calling: `from tooluniverse.tools import ToolName` - Dynamic tool access: `tu.tools.ToolName()` - Built-in caching and error handling ### **Health Check System** - New `tooluniverse-doctor` CLI tool - Automatic dependency validation and bulk fix commands ### **Expanded Tool Ecosystem** - 50+ new scientific tools - Clinical guidelines (NICE, WHO, Europe PMC)
83 lines
2.3 KiB
Python
83 lines
2.3 KiB
Python
#!/usr/bin/env python3
|
|
"""
|
|
Quick Start Guide for Visualization Tools
|
|
==========================================
|
|
|
|
A simple, beginner-friendly guide to using ToolUniverse visualization tools.
|
|
Perfect for getting started quickly!
|
|
|
|
Prerequisites:
|
|
- pip install tooluniverse[visualization]
|
|
"""
|
|
|
|
from tooluniverse import ToolUniverse
|
|
|
|
# Initialize ToolUniverse
|
|
tu = ToolUniverse()
|
|
tu.load_tools()
|
|
|
|
print("🎨 ToolUniverse Visualization Tools - Quick Start")
|
|
print("=" * 50)
|
|
|
|
# 1. Protein 3D Structure Visualization
|
|
print("\n1. 🧬 Protein 3D Structure")
|
|
result = tu.run({
|
|
"name": "visualize_protein_structure_3d",
|
|
"arguments": {
|
|
"pdb_id": "1CRN", # Crambin protein
|
|
"style": "cartoon",
|
|
"color_scheme": "spectrum"
|
|
}
|
|
})
|
|
|
|
if result["success"]:
|
|
print("✅ Protein structure visualized!")
|
|
# Save HTML to file
|
|
with open("protein_example.html", "w") as f:
|
|
f.write(result["visualization"]["html"])
|
|
print("💾 Saved to: protein_example.html")
|
|
else:
|
|
print(f"❌ Error: {result['error']}")
|
|
|
|
# 2. Molecule 2D Structure Visualization
|
|
print("\n2. 🧪 Molecule 2D Structure")
|
|
result = tu.run({
|
|
"name": "visualize_molecule_2d",
|
|
"arguments": {
|
|
"smiles": "CCO", # Ethanol
|
|
"width": 400,
|
|
"height": 400
|
|
}
|
|
})
|
|
|
|
if result["success"]:
|
|
print("✅ Molecule 2D structure visualized!")
|
|
with open("molecule_2d_example.html", "w") as f:
|
|
f.write(result["visualization"]["html"])
|
|
print("💾 Saved to: molecule_2d_example.html")
|
|
else:
|
|
print(f"❌ Error: {result['error']}")
|
|
|
|
# 3. Molecule 3D Structure Visualization
|
|
print("\n3. 🔬 Molecule 3D Structure")
|
|
result = tu.run({
|
|
"name": "visualize_molecule_3d",
|
|
"arguments": {
|
|
"smiles": "CCO", # Ethanol
|
|
"style": "stick",
|
|
"color_scheme": "default"
|
|
}
|
|
})
|
|
|
|
if result["success"]:
|
|
print("✅ Molecule 3D structure visualized!")
|
|
with open("molecule_3d_example.html", "w") as f:
|
|
f.write(result["visualization"]["html"])
|
|
print("💾 Saved to: molecule_3d_example.html")
|
|
else:
|
|
print(f"❌ Error: {result['error']}")
|
|
|
|
print("\n🎉 Quick start completed!")
|
|
print("📁 Open the generated HTML files in your browser to view the visualizations.")
|
|
print("📚 For more examples, see: examples/visualization_examples.py")
|