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Tools for autonomous AI agents

About this integration

Local MCP integration for molecular visualization, trajectory inspection and hydrate-cage analysis using headless PyMOL. It requires a prepared Python/conda environment but no account authorization for local rendering.

Transport
stdio
Authentication
none
Initial setup
none
Runtime
unattended
Evidence
documented
Package
pymol-mcp
Last compatibility test
Not independently tested

Connect your agent

pymol-mcp

Local installation is required: use a Python/conda environment that can import pymol2. No account authorization is documented for local rendering. Arbitrary-code tools are opt-in and excluded from the default review. Documentation reviewed; not installed, executed or independently tested.

Capabilities: Molecular visualization, Trajectory inspection, Headless image rendering

Connected profiles

Additional details

Source artifact

pymol-mcp

Source ↗ · Checked 2026-09-17
Source manifest version

0.1.0

Source ↗ · Checked 2026-09-17
Unattended configuration

Publisher documents an embedded headless PyMOL worker for CI without a GUI or click-based runtime.

Source ↗ · Checked 2026-09-17
Authentication and prerequisites

The documented local stdio configuration has no API key or account login. Python 3.11+ and a conda environment containing pymol2 must be prepared first.

Source ↗ · Checked 2026-09-17
Connection configuration

Launch the prepared conda Python interpreter with -m pymol_mcp; the publisher explicitly says not to use isolated uvx environments.

Source ↗ · Checked 2026-09-17
Review scope

Publisher documentation reviewed; package and integration endpoint not executed or independently security-audited.

Source ↗ · Checked 2026-09-17