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tooluniverse-protein-structural-annotation-pdb

Given a PDB structure, produce a per-residue annotation table: which residues sit at a binding interface (vs a partner chain), which line a ligand pocket, which are buried (core) vs solvent-exposed (surface), and optionally secondary structure. This is the structural track drawn under a DMS heatmap and the structural prior SAE feature drops are read against. Use when you need to anchor a variant-interpretation or DMS analysis to the protein's actual physical context.

68

Quality

81%

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SecuritybySnyk

Low

Low-risk findings worth noting

SKILL.md
Quality
Evals
Security

Quality

Content

88%Weight 40%Scale 1-5

Reviews the quality of instructions and guidance provided to agents. Good implementation is clear, handles edge cases, and produces reliable results.

A high-quality, executable scientific skill body with concrete code, a sequenced workflow, an explicit numbering-verification checkpoint, and honest limitations. It is concise and actionable, with only minor verbosity and no bundled reference files to split out.

Suggestions

Move the interpretation table and cross-references into a reference file to improve progressive disclosure and keep SKILL.md a lean overview.

Trim the opening paragraph that restates the description verbatim.

DimensionReasoningScore

Conciseness

Largely lean with executable code blocks and tables that assume domain competence; a few phrases like 'This is the annotation track that anchors...' repeat the description and could be trimmed.

4 / 5

Actionability

Provides copy-paste-ready, fully executable Python calls with realistic arguments, concrete return schemas, and specific downstream snippets (e.g. the by_pos indexing pattern) covering common cases.

5 / 5

Workflow Clarity

Clearly sequenced 5-step workflow with an explicit verification checkpoint (Step 3 landmark assertion), an error-recovery instruction ('Do not silently rebase positions'), and an honest-limitations section covering fragile numbering.

5 / 5

Progressive Disclosure

Well-organized sections with a clean cross-reference table of related tools at one level deep, but all content is inlined in SKILL.md with no separate reference files; minor organization is strong but external split is absent.

4 / 5

Total

18

/

20

Passed

Description

75%Weight 40%Scale 1-5

Based on the skill's description, can an agent find and select it at the right time? Clear, specific descriptions lead to better discovery.

A strong, specific description that anchors a niche scientific workflow (per-residue structural annotation for DMS/variant interpretation) and includes an explicit 'Use when' trigger. It is third-person and concrete, with only minor gaps in trigger synonyms and output specificity.

Suggestions

Add natural synonyms/file extensions (e.g. '.pdb', 'per-residue annotation', 'RSA / solvent exposure') to broaden trigger matching.

Make the output artifact explicit (e.g. 'produces a per-residue annotation table keyed by canonical residue number').

Tighten the 'Use when' clause with one more concrete scenario such as 'Use when labeling a DMS heatmap with structural context'.

DimensionReasoningScore

Specificity

Names the domain (PDB structural annotation) and several concrete actions — interface detection, ligand-pocket lining, buried/exposed classification, optional secondary structure — with minor gaps such as leaving the exact output format implicit.

4 / 5

Completeness

Clearly states what it does (per-residue annotation table) and includes an explicit 'Use when...' trigger clause, but the trigger is somewhat general and could name more specific situations.

4 / 5

Trigger Term Quality

Includes natural user-facing phrases like 'PDB structure', 'binding interface', 'ligand pocket', 'DMS heatmap', and 'variant-interpretation', though it omits common synonyms or file extensions like .pdb or 'per-residue'.

4 / 5

Distinctiveness Conflict Risk

The niche is clearly specific to PDB-based per-residue structural annotation tied to DMS analysis, with low overlap risk against generic structure tools; only minor adjacency to related biophysics skills.

4 / 5

Total

16

/

20

Passed

Validation

100%

Checks the skill against the spec for correct structure and formatting. All validation checks must pass before discovery and implementation can be scored.

Validation16 / 16 Passed

Validation for skill structure

No warnings or errors.

Repository
mims-harvard/ToolUniverse
Reviewed

Table of Contents

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