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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.

Quality

92%

Does it follow best practices?

Run evals on this skill

Adds up to 20 points to the overall score

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SecuritybySnyk

Low

Low-risk findings worth noting

The canonical home for this skill is tooluniverse-protein-structural-annotation-pdb in mims-harvard/ToolUniverse

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.

Excellent operational content: executable tool invocations, a documented output schema, and a genuinely protective validation step for the fragile numbering join. The main improvement areas are trimming mild redundancy with the description and, if the skill grows, splitting reference material into bundle files.

Suggestions

Trim the introductory paragraph, which repeats the frontmatter description ('This is the annotation track that anchors any DMS heatmap or per-residue interpretation to the protein's actual physical context') — the 'When to use this skill' section already covers this.

If the skill is expected to grow, move the interpretation table and/or honest-limitations sections into a one-level-deep reference file under references/ to improve progressive disclosure.

DimensionReasoningScore

Conciseness

Nearly every token carries skill-specific knowledge Claude cannot infer (tool names, silent PDB numbering offsets, freesasa RSA quirks, cutoff conventions), with no generic-concept padding. Not 5: the opening paragraph partly restates the frontmatter description, and phrases like 'This is the annotation track that anchors any DMS heatmap…' could be trimmed.

4 / 5

Actionability

Fully executable, copy-paste-ready guidance: exact tool calls with all parameters, the documented return shape ('annotations: List[{position, aa, dist_partner, dist_ligand, rsa, region, is_core, ss_element?}]… yields 168 rows'), a runnable landmark assert, and concrete downstream indexing code. Specific examples cover the common cases.

5 / 5

Workflow Clarity

Five clearly sequenced steps with an explicit validation checkpoint — Step 3 verifies residue numbering via a landmark assert and prescribes the recovery path ('record the offset explicitly… Do not silently rebase positions'). Not 4: the feedback loop (verify → record offset → re-check before any join) is fully explicit.

5 / 5

Progressive Disclosure

No bundle files exist and the skill is a single, well-organized file with clear section headers, tables, and a cross-references table pointing to sibling tools rather than nested files. Not 5: it is a monolithic ~175-line document — the interpretation table and honest-limitations sections are candidates for one-level-deep reference files had a bundle structure been used.

4 / 5

Total

18

/

20

Passed

Description

92%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 description: it states exactly what the skill produces at residue-level granularity, gives an explicit 'Use when…' trigger tied to variant-interpretation/DMS analysis, and occupies a distinct niche. The only weakness is modest synonym coverage in trigger terms.

DimensionReasoningScore

Specificity

Lists multiple concrete actions — 'produce a per-residue annotation table: which residues sit at a binding interface… which line a ligand pocket, which are buried (core) vs solvent-exposed (surface), and optionally secondary structure' — with comprehensive, domain-specific coverage. Not 4: there are no minor gaps in the action list.

5 / 5

Completeness

Explicitly answers both: the 'what' (a per-residue annotation table with interface/pocket/core-surface/secondary-structure classifications) and the 'when' ('Use when you need to anchor a variant-interpretation or DMS analysis to the protein's actual physical context') with a concrete trigger clause. Not 4: neither half could be more explicit.

5 / 5

Trigger Term Quality

Good natural keyword coverage: 'PDB structure', 'binding interface', 'ligand pocket', 'DMS heatmap', 'variant-interpretation', 'SAE feature drops' — terms the target user would actually say. Not 5: misses common synonyms/variations such as 'protein structure', 'active site', or 'mutation', so a few natural trigger phrases are absent.

4 / 5

Distinctiveness Conflict Risk

Clear niche — per-residue structural annotation of a PDB chain for DMS/variant interpretation — with distinctive triggers (PDB, per-residue, DMS heatmap, SAE feature drops) that no generic skill would match. Minimal conflict risk.

5 / 5

Total

19

/

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.

Validation — 16 / 16 Passed

Validation for skill structure

No warnings or errors.

Repository

mims-harvard/ToolUniverse

Path

plugins/tooluniverse/skills/tooluniverse-protein-structural-annotation-pdb/SKILL.md

Reviewed

Table of Contents

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