rosetta_to_biotite returns a mapping when one exists and says so plainly when it does not — structure optimisation has no Biotite equivalent, and the tool reports that rather than inventing a call. Combined with schema validation catching a mistyped mover name, this is aimed squarely at the failure mode of a model guessing plausible API surface from training data.
A protein-modelling server that bridges Rosetta, PyRosetta and Biotite. It runs RosettaScripts protocols, scores structures, validates XML against the schema, and maps functions between the Rosetta and Biotite APIs so an agent stops inventing signatures.
- get_rosetta_info and get_rosetta_help — the available score functions, movers, filters, selectors and parameters, and help on any topic, fetched live from the project docs
- pyrosetta_introspect — live PyRosetta API search with docs and signatures
- search_rosetta_web_docs and get_rosetta_web_doc — search the documentation site and read a specific page
- get_cached_docs — search cached CLI help, caching on first use
- run_rosetta_scripts — run a RosettaScripts XML protocol against a PDB
- pyrosetta_score — score a PDB, optionally with a per-residue energy breakdown and a chosen score function
- xml_to_pyrosetta — translate XML to PyRosetta Python, and report the elements it could not recognise
- rosetta_to_biotite and biotite_to_rosetta — find the equivalent function in the other library, with working example code
- translate_rosetta_script_to_biotite — translate a whole script, flagging the design and optimisation steps that Biotite cannot do
- validate_xml — XML syntax checking, with optional validation against the Rosetta XSD so typos in element names are caught
- rosetta_scripts_schema — generate the schema and extract its element names
- python_env_info, check_pyrosetta, install_pyrosetta_installer, find_rosetta_scripts — check the environment, install PyRosetta, and locate the binary
Installed from npm as rosetta-mcp-server. A Python environment with PyRosetta and Biotite — or let the server install PyRosetta on first use, which takes a while. Optional environment variables from the published server definition: ROSETTA_BIN for the rosetta_scripts binary or its directory, PYTHON_BIN for the interpreter, and MCP_DEBUG for debug logging.
One command — npm install -g rosetta-mcp-server