Rosetta/PyRosetta protein modeling and Biotite translation for computational biology
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io.github.Arielbs/rosetta-mcp-server is an MCP server that Rosetta/PyRosetta protein modeling and Biotite translation for computational biology. Its tool list has not been published yet over stdio, sse and http, requires no API key, and scores 45/100 on MCPpedia's security, maintenance and efficiency rubric.
Config is the same across clients - only the file and path differ.
{
"mcpServers": {
"rosetta": {
"env": {
"PYTHON_BIN": "/path/to/.venvs/rosetta-mcp/bin/python",
"ROSETTA_BIN": "/path/to/rosetta_scripts.default.macosclangrelease"
},
"command": "rosetta-mcp-server"
}
}
}Are you the author?
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Rosetta/PyRosetta protein modeling and Biotite translation for computational biology
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Author: Ariel J. Ben-Sasson
A Model Context Protocol (MCP) server that lets Cursor (or any MCP client) work with Rosetta, PyRosetta, and Biotite: run RosettaScripts, validate XML protocols, translate between Rosetta and Biotite, score structures, and query documentation -- all from your AI coding assistant.
rosetta_to_biotite -- Find the Biotite equivalent of any Rosetta function with working example code (21 mappings covering structure I/O, SASA, RMSD, superimposition, secondary structure, contacts, hydrogen bonds, B-factors, angles, and more)biotite_to_rosetta -- Reverse lookup: find the Rosetta equivalent of a Biotite functiontranslate_rosetta_script_to_biotite -- Translate entire RosettaScripts XML or PyRosetta code to Biotite Python. Design/optimization operations are flagged as Rosetta-only.repeats, disable_design, cartesian, tolerance, threshold, distance, and moreMoveMap (with Span), Reweight, ScoreFunctionget_rosetta_help now accepts any topic: movers by name ("FastRelax"), concepts ("constraints", "docking"), or score functions ("ref2015") -- auto-fetches live docs from rosettacommons.orgsearch_rosetta_web_docs fallback: when DuckDuckGo is rate-limited, probes direct Rosetta docs URLsget_cached_docs auto-caches: no need to call cache_cli_docs firstpyrosetta_score: new per_residue option returns per-residue energy breakdownscorefxn parameter now works (was ignored in v1.1.8){}validate_xml: new validate_against_schema option checks element names against the Rosetta XSD schema (catches typos like FastRleax)tools/call responses now use correct { content: [{ type: "text", text }] } formatisError: true (not JSON-RPC errors)resources capability advertisementos.tmpdir() (not module directory)list_functions (merged into get_rosetta_info), search_pyrosetta_wheels, cache_cli_docs (auto-cache in get_cached_docs)This is what makes the MCP server powerful -- an AI agent can answer domain questions by calling the right tools automatically:
User asks in Cursor: "How do I relax my protein and what's the Biotite equivalent?"
The agent calls two MCP tools behind the scenes:
1. get_rosetta_help("FastRelax") returns 6000+ chars of live documentation:
FastRelax performs all-atom relaxation using the FastRelax protocol. Parameters include
scorefxn,repeats,cartesian,disable_design,MoveMapconfiguration...
2. rosetta_to_biotite("FastRelax") returns:
{
"found": true,
"results": [{
"rosetta": { "name": "FastRelax", "example": ["relax = FastRelax()", "relax.set_scorefxn(get_score_function('ref
... [View full README on GitHub](https://github.com/Arielbs/rosetta-mcp-server#readme)