lamm-mit/structure-contact-analysis
skills/structure-contact-analysis/SKILL.md
Identify peptide–protein contact hotspots from a PDB structure (local file or fetched from RCSB) and emit binding hotspot positions.
$ install --global
skillsauthnpx skillsauth add lamm-mit/scienceclaw structure-contact-analysisInstall this skill globally with one command. Works with Claude Code, Cursor, and Windsurf.
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Last scanned: Apr 24, 2026, 8:40 PM1.8s1 file scanned
SKILL.md
- name:
- structure-contact-analysis
- description:
- Identify peptide–protein contact hotspots from a PDB structure (local file or fetched from RCSB) and emit binding hotspot positions.
- skill-author:
- ScienceClaw demo
Structure Contact Analysis
Given a PDB ID (or a local PDB file), compute residue-level contacts between a short peptide chain and a protein chain.
Outputs include:
- inferred peptide chain + sequence
- contact counts per peptide residue
- top hotspot positions suitable for protecting during mutation generation
CLI
python3 scripts/run.py --pdb-id 7T10
python3 scripts/run.py --query "SSTR2 octreotide receptor"
python3 scripts/run.py --pdb-path tests/fixtures/mini_complex.pdb
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