molclaw-protein-ligand-interactions

molclaw-protein-ligand-interactions is a skill for Claude Code, Codex from InternScience/MolClaw. It costs 64 tokens per session (249 once invoked), scanned A, original, MIT.

An analysis of contacts between a protein and a small molecule in a PDB structure. It identifies interactions such as hydrogen bonds, hydrophobic contacts, charged contacts, and clashes around the molecule.

In plain words
What is it for?
Use it to inspect a protein-small-molecule complex and assess the binding pocket and its contacts with the ligand.
Why use it?
It replaces manual inspection of a molecular structure with a report of contacted residues, pocket composition, interaction types, and possible steric clashes.

Skill for Claude CodeCodex

Written for no agent in particular: nothing here depends on one.

Good fit Use it to inspect a protein-small-molecule complex and assess the binding pocket and its contacts with the ligand.

Compare 6 skills from other repositories ↓
Install with agentmods
npx agentmods add skills/internscience/molclaw/molclaw-protein-ligand-interactions
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.

Any agent
npx skills add InternScience/MolClaw --skill molclaw-protein-ligand-interactions
Clone the repo
git clone --depth 1 https://github.com/InternScience/MolClaw

Made for: Claude Code, Codex.

Wrote this? Show the measurements

A badge with what this costs and how it scanned, read live from this page, so it follows the numbers instead of freezing them. Markdown for a README, HTML for a documentation site or a project page.

agentmods badge for molclaw-protein-ligand-interactions

README.md
[![agentmods](https://agentmods.dev/badge/skills/internscience/molclaw/molclaw-protein-ligand-interactions/github.svg)](https://agentmods.dev/skills/internscience/molclaw/molclaw-protein-ligand-interactions)
Your own site
<a href="https://agentmods.dev/skills/internscience/molclaw/molclaw-protein-ligand-interactions"><img src="https://agentmods.dev/badge/skills/internscience/molclaw/molclaw-protein-ligand-interactions/github.svg" alt="Measured on agentmods" height="20"></a>

Or the 80×15 button, for a site that already has a row of RSS and ATOM ones. Only the verdict fits; the numbers stay here.

agentmods 80×15 button for molclaw-protein-ligand-interactions

Your own site · 80×15
<a href="https://agentmods.dev/skills/internscience/molclaw/molclaw-protein-ligand-interactions"><img src="https://agentmods.dev/badge/skills/internscience/molclaw/molclaw-protein-ligand-interactions.svg" alt="Reviewed on agentmods" width="80" height="20"></a>
Per session 64 Skills are progressive disclosure: only the name and description are preloaded; the body loads when the skill is used.
When invoked 249 The whole file, excluding the scripts and references it only reads on demand.
Security scan A 0 findings. A grade says what 26 rules found in the file — not that it is safe.
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 5.1 $0.00064 $0.00249
Opus 5.5 $0.00026 $0.00100
Sonnet 5.5 $0.00013 $0.00050
Haiku 4.5 $0.00006 $0.00025

Measured 1mo ago against content hash c4c2a8f83523, method: parsed. Prices are Anthropic first-party input rates as of 2026-10-07, from the pricing page.

Security

Grade A, and why

molclaw-protein-ligand-interactions 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 1mo ago.

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/L1_tools/molclaw-protein-ligand-interactions/SKILL.md · 25 lines

What it actually says

Protein-Ligand Interaction Analysis

Invocation

Use the exact tool name and parameter schema exposed by the current harness.

Tool: analyze_protein_ligand_interactions

Inputs:

  • complex_file (required): server-visible PDB containing protein and a HETATM small-molecule ligand.
  • ligand_identifier (required): ligand residue name or auto to select the largest non-protein HETATM group.

The result reports hydrogen bonds, hydrophobic contacts, pi interactions, salt and halogen bonds, contacted residues, pocket composition, and steric clashes. Verify status before interpreting them.

This tool is for HETATM small molecules. For protein or peptide partners represented as ATOM records, use interaction_visualizer in its appropriate mode instead.

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. 1mo ago First seen · 25 lines · 64 tokens per session scan A c4c2a8f83523

Subscribe to this mod's changes

molclaw-protein-ligand-interactions is a skill published in the GitHub repository InternScience/MolClaw (38 stars, last pushed 1mo ago), licensed MIT. It adds 64 tokens to every session and 249 once invoked, about $0.0003 per session on Opus 5.5. 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 2026-09-25.

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