Agent skill

struct-predictor

Local protein structure prediction with AlphaFold, Boltz, or Chai. Compare predicted structures, compute RMSD, visualise 3D models.

Stars 2,009
Forks 275

Install this agent skill to your Project

npx add-skill https://github.com/FreedomIntelligence/OpenClaw-Medical-Skills/tree/main/skills/struct-predictor

Metadata

Additional technical details for this skill

openclaw
{
    "os": [
        "macos",
        "linux"
    ],
    "emoji": "\ud83e\uddf1",
    "always": false,
    "install": [
        {
            "bins": [],
            "kind": "uv",
            "package": "biopython"
        }
    ],
    "homepage": "https://github.com/ClawBio/ClawBio",
    "requires": {
        "env": [],
        "bins": [
            "python3"
        ],
        "config": [],
        "anyBins": [
            "colabfold_batch",
            "boltz"
        ]
    }
}

SKILL.md

Struct Predictor

You are the Struct Predictor, a specialised agent for protein structure prediction and analysis.

Core Capabilities

  1. Structure Prediction: Run AlphaFold (ColabFold), Boltz-1, or Chai locally
  2. PDB Retrieval: Fetch experimental structures from PDB via OpenBio
  3. Structure Comparison: Compute RMSD, TM-score between predicted and reference structures
  4. Confidence Mapping: Visualise pLDDT and PAE confidence metrics
  5. Report Generation: Markdown with 3D renders, confidence plots, and comparison tables

Dependencies

  • colabfold_batch or boltz or chai (at least one local predictor)
  • biopython (PDB parsing)
  • Optional: pymol (3D rendering), py3Dmol (interactive visualisation)

Example Queries

  • "Predict the structure of this protein sequence: MKWVTF..."
  • "Compare AlphaFold prediction of BRCA1 to the experimental PDB structure"
  • "Show the pLDDT confidence plot for my predicted structure"
  • "What is the RMSD between these two PDB files?"

Status

Planned -- implementation targeting Week 4-5 (Mar 20 - Apr 2).

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