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tooluniverse-structural-proteomics

Structural biology plus proteomics integration for drug target validation. Combines PDB experimental structures, AlphaFold predictions, GPCRdb, SAbDab antibody structures, ProteinsPlus binding-site prediction, BindingDB ligand-affinity data, BMRB NMR data, CATH/InterPro fold classification, intrinsic-disorder prediction (MobiDB/DisProt/IUPred3), membrane-protein topology (OPM/TopDB/PDBTM/ChannelsDB), enzyme catalytic-site data (M-CSA), PDBe ligand/compound chemistry, and MD simulation trajectory metadata (MDDB). Use for druggability assessment, binding-site characterization, ligand-pocket analysis, structural-confidence scoring (resolution, pLDDT), antibody-target interface analysis, disordered-region assessment, membrane-protein topology, catalytic-mechanism lookup, and finding published MD simulations for a target.

Quality

87%

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SecuritybySnyk

Passed

No findings from the security scan

The canonical home for this skill is tooluniverse-structural-proteomics in mims-harvard/ToolUniverse

SKILL.md
Quality
Evals
Security

Quality

Content

71%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.

An unusually well-researched body: exact tool signatures, live-verified examples with real IDs and outputs, honest limitations, and explicit retry/validation guidance. The main weaknesses are structural — everything is inlined in one long out-of-sequence file with several gotchas restated in multiple sections.

Suggestions

Move the per-database tool inventory and the deep workflow details (Workflows 4-9) into one-level-deep reference files (e.g. references/tool-inventory.md, references/workflows.md), keeping SKILL.md as a concise overview with well-signaled links — the tool inventory alone is ~80 lines of inline content that belongs in a bundle file.

Renumber and reorder the workflows into document order — they currently appear as 1, 4, 5, 5b, 6, 7, 8, 2, 9, 3, which makes the multi-workflow process hard to follow sequentially.

State each gotcha once in a canonical location and cross-reference it elsewhere: the PDBe_get_compound_structures fallback gotcha is fully restated in Workflow 2, the Tool Parameter Gotchas table, and Limitations; similarly trim the ~20 repetitions of "(verified live)" to a single note that all examples were verified.

DimensionReasoningScore

Conciseness

The body is overwhelmingly tool-specific knowledge Claude would not have — exact parameter names, gotchas ("`alphafold_get_prediction/summary` | `uniprot_id` | `qualifier`"), and verified live examples — with cross-references used in places ("see gotcha below", "see Workflow 5b below"). It is not a 5 because of genuine redundancy: "(verified live)" appears roughly twenty times and the `PDBe_get_compound_structures` gotcha is fully restated in three places (Workflow 2, the gotcha table, and Limitations). It is not a 3 because there is no padding and no explanation of concepts Claude already knows.

4 / 5

Actionability

Mostly executable guidance: exact tool names with parameter signatures, a mistake-vs-correct gotcha table, and literal verified invocations like "`CATH_get_domain_summary(domain_id="1cukA01")`" and "`InterPro_get_member_signature(member_database="pfam", accession="PF00069")`". It falls short of the 5 anchor because several workflow phases are high-level labels without concrete calls (e.g. Workflow 3's "Phase 5: AlphaFold + Foldseek structural comparison", Workflow 1's bare phase arrows), leaving minor gaps.

4 / 5

Workflow Clarity

Workflows have clear phased sequences with explicit decision criteria ("Resolution <2.5A for drug design. X-ray > Cryo-EM > NMR > AlphaFold... Holo > apo") and validation/trust gates plus feedback loops ("retry 1-2 times before reporting an entry is missing", PDBeValidation quality gating, BMRB validation before trusting shifts). It misses the 5 anchor because the workflows are presented out of order in the document (1, 4, 5, 5b, 6, 7, 8, then 2, 9, 3), which breaks the coherence of the overall process.

4 / 5

Progressive Disclosure

Section headers are clear and navigation within the file is decent, but the entire skill is a single ~310-line file: the ~80-line tool inventory and the per-database workflow details (Workflows 4-9) are content that clearly belongs in separate reference files, and no references/ bundle exists. This matches the 3 anchor (structure present but content that should be separate is inline) rather than the 2 anchor, which requires minimal structure.

3 / 5

Total

15

/

20

Passed

Description

96%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 dense, information-rich description that explicitly states both what it does (integrates a named set of structural-bioinformatics databases) and when to use it (a concrete list of analysis tasks), with natural domain trigger terms. Its only weaknesses are the sheer enumeration length and minor overlap risk with narrower structural-biology skills.

DimensionReasoningScore

Specificity

The description enumerates many concrete capabilities and data sources — "Combines PDB experimental structures, AlphaFold predictions, GPCRdb, SAbDab antibody structures, ProteinsPlus binding-site prediction, BindingDB ligand-affinity data, BMRB NMR data..." plus specific actions like "druggability assessment, binding-site characterization, ligand-pocket analysis, structural-confidence scoring (resolution, pLDDT)". Coverage is comprehensive rather than having minor gaps, so it matches the 5 anchor rather than 4.

5 / 5

Completeness

Both questions are answered explicitly: the "what" ("Combines PDB experimental structures, AlphaFold predictions, GPCRdb, SAbDab antibody structures...") and the "when" ("Use for druggability assessment, binding-site characterization, ligand-pocket analysis, structural-confidence scoring (resolution, pLDDT), antibody-target interface analysis..."). This matches the 5 anchor with concrete trigger phrases, not the 4 anchor where 'when' is weaker.

5 / 5

Trigger Term Quality

Natural domain phrases a user would actually say are comprehensively present: "drug target validation", "druggability", "binding site", "AlphaFold", "antibody", "membrane-protein topology", "disordered region", "MD simulations", "NMR", plus tool-name synonyms. No common variations obviously missing for this domain, fitting the comprehensive-synonyms 5 anchor rather than the 4 anchor.

5 / 5

Distinctiveness Conflict Risk

The niche — structural-biology/proteomics integration specifically for drug target validation across named databases — is clear and distinct, but the very broad database sweep (PDB, AlphaFold, BindingDB, MD metadata, NMR) creates minor overlap risk with single-domain structural-bioinformatics skills. This fits the 4 anchor (mostly distinct, minor overlap risk with closely related skills) better than the 5 anchor's minimal-conflict bar.

4 / 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-structural-proteomics/SKILL.md

Reviewed

Table of Contents

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