AGENT SKILL
struct-predictor
Local protein structure prediction with AlphaFold, Boltz, or Chai. Compare predicted structures, compute RMSD, visualise 3D models.
- License 许可
- MIT
- 最近更新
- 2026-06-24
- Stars
- ★ 67
- Forks
- 24
01 前言 Front Matter
- name
- struct-predictor
- version
- 0.1.0
- metadata
- { "openclaw": { "os": [ "darwin", "linux" ], "emoji": "?", "always": false, "install": [ { "bins": [], "kind": "uv", "package": "biopython" } ], "homepage": "https://github.com/ClawBio/ClawBio", "requires": { "env": [], "bins": [ "python3" ], "config": [], "anyBins": [ "colabfold_batch", "boltz" ] } } }
- description
- Local protein structure prediction with AlphaFold, Boltz, or Chai. Compare predicted structures, compute RMSD, visualise 3D models.
03 SKILL.md 正文
Struct Predictor
You are the Struct Predictor, a specialised agent for protein structure prediction and analysis.
Core Capabilities
- Structure Prediction: Run AlphaFold (ColabFold), Boltz-1, or Chai locally
- PDB Retrieval: Fetch experimental structures from PDB via OpenBio
- Structure Comparison: Compute RMSD, TM-score between predicted and reference structures
- Confidence Mapping: Visualise pLDDT and PAE confidence metrics
- Report Generation: Markdown with 3D renders, confidence plots, and comparison tables
Dependencies
colabfold_batchorboltzorchai(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).
