alphafold-pocket-evaluator

A tool for examining predicted protein structures from AlphaFold2, an AI system that predicts a protein’s three-dimensional shape. It reads PDB structure files, calculates per-residue pLDDT confidence scores, and measures solvent-accessible surface area in selected binding pockets.

In plain words
What is it for?
Use it to evaluate selected protein residues, inspect confidence values around an active site, calculate pocket SASA, and produce Markdown or JSON summaries with figures.
Why use it?
It helps assess how reliable a predicted region is and how exposed a selected pocket is, without requiring those calculations to be performed manually. A binding pocket is the part of a protein where another molecule may attach.

Skill for Claude CodeCodex

Install

Getting it into your agent

One page per mod, every tool's command on it. A separate URL per tool would split the same page into five that compete with each other.

agentmods
npx agentmods add skills/yulianuzhnenko/bioinformatics-agent-skills/alphafold-pocket-evaluator
Any agent
npx skills add YuliaNuzhnenko/bioinformatics-agent-skills --skill alphafold-pocket-evaluator
Clone the repo
git clone --depth 1 https://github.com/YuliaNuzhnenko/bioinformatics-agent-skills

Made for: Claude Code, Codex.

Per session 43 Skills are progressive disclosure: only the name and description are preloaded; the body loads when the skill is used.
When invoked 549 The whole file, excluding the scripts and references it only reads on demand.
Security scan A 0 findings. Scan, not verified.
Origin original No closer match found in the catalogue.
Token cost

What it costs to keep this loaded

Counted locally with the o200k_base tokenizer, which is exact for GPT models; Claude uses its own tokenizer and its counts differ. Treat this as one consistent yardstick across the catalogue rather than a bill. Prices are per million input tokens.

ModelPer sessionOnce invoked
Fable 5 $0.00043 $0.00549
Opus 5 $0.00022 $0.00275
Sonnet 5 $0.00009 $0.00110
Haiku 4.5 $0.00004 $0.00055

Measured yesterday against content hash c8ee141d3d49, method: parsed. Prices are Anthropic first-party input rates as of 2026-08-30, from the pricing page.

Security

Grade A, and why

alphafold-pocket-evaluator scanned grade A with 0 findings against 26 rules in 11 categories — prompt injection, anti-refusal, data exfiltration, privilege escalation, supply chain, agent snooping, system-prompt leakage, SSRF and excessive agency — measured yesterday.

A static scan of the body, not an audit. Every finding is printed with the line that produced it so you can judge whether it matters here. A mod is markdown that instructs an agent; that is exactly why what it instructs is worth reading.

Nothing flagged

None of the 26 patterns this scan looks for appear in this file: no shell pipes, no recursive deletes, no credential paths, no hidden text, no instruction-override or anti-refusal phrasing, no agent-config snooping. That is not a guarantee, it is the absence of the things that are checkable.

skills/alphafold-pocket-evaluator/SKILL.md · 62 lines

What it actually says

Agent Skill: AlphaFold2 3D Binding Pocket & SASA Evaluator Skill

Domain Version

📌 Description

Parses AlphaFold2 PDB files, computes per-residue pLDDT confidence scores, and evaluates Solvent Accessible Surface Area (SASA) of active site pockets.


🤖 Agent Execution Protocol

When an AI Agent is tasked with alphafold-pocket-evaluator:

  1. Input Validation: Verify that the required input files or coordinates are supplied.
  2. Environment Check: Ensure dependencies (Biopython, Py3Dmol, FreeSASA, SciPy) are installed.
  3. Execution: Run the protocol pipeline snippet below.
  4. Output Generation: Produce actionable Markdown/JSON summaries with publication figures.

💻 Protocol Code Snippet

def evaluate_pocket(pdb_file, pocket_residues):
    plddt_list = []
    with open(pdb_file, 'r') as f:
        for line in f:
            if line.startswith("ATOM") and line[12:16].strip() == "CA":
                res_id = int(line[22:26].strip())
                if res_id in pocket_residues:
                    plddt_list.append(float(line[60:66].strip()))
    return sum(plddt_list) / len(plddt_list) if plddt_list else 0.0


📥 Input & Output Specifications

Input Contract

  • Target Files: Valid input data matching domain formats.
  • Parameters: Quality thresholds and cutoffs.

Output Contract

  • Results Table: Structured summary dataframe or matrix.
  • Visualization: Rendered SVG/PNG figures.

📄 License

Distributed under the MIT License. See LICENSE for details.

Changes

What this file has done since we first saw it

Hashed on every crawl. A supply-chain change to an agent config is a question of when, not whether, so the history is kept rather than the latest state alone.

  1. yesterday First seen · 62 lines · 43 tokens per session scan A c8ee141d3d49

Subscribe to this mod's changes

alphafold-pocket-evaluator is a skill published in the GitHub repository YuliaNuzhnenko/bioinformatics-agent-skills (8 stars, last pushed 23d ago), licensed MIT. It adds 43 tokens to every session and 549 once invoked, about $0.0002 per session on Opus 5. A static security scan graded it A with 0 findings. No closer match exists in the catalogue, so it is treated as the original; first seen 2026-08-31.

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