PyMOL AI Copilot

Turn your PyMOL into an AI-powered assistant.

Supports:

• Chinese natural language
• English natural language
• Structure loading
• Alignment
• Surface analysis
• Ligand pocket highlighting
• Image rendering

Installation

1. Install dependency

你的pymol目录/python.exe -m pip install openai

2. Configure API

Edit ai_pymol.py:

api_key="YOUR_KEY"

3. Load plugin in PyMOL

run 你的pymol目录/ai_pymol.py

Example Usage

ai 加载1ubq并显示为卡通
ai 加载1ubq和1ubi并对齐
ai 加载1m17并显示配体周围5埃范围的残基为棒状

Architecture

Natural language
       ↓
LLM command generation
       ↓
Command validation
       ↓
Auto-fix
       ↓
Safe execution