agentic-pymol
A lightweight MCP server that exposes PyMOL as a typed tool surface for AI agents, enabling programmatic control of molecular visualization sessions. Returns structured data (coordinates, distances, RMSDs, sequences) rather than plain text for downstream agent reasoning.
Connects to: PyMOL 2.6+, Claude Code, Codex, MCP-compatible clients · · MIT 89★
Use it with an AI agent
Loadbay is an MCP server, so an agent can search the catalog and find this harness:
claude mcp add --transport http loadbay https://loadbay.xyz/api/mcp
- Source: https://github.com/Arcadia-Science/agentic-pymol
- This harness as JSON: /api/harnesses/agentic-pymol
- Agent setup: /setup.md
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