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Bio Structural Biology Structure Validation

Agent skill
1 skill

Judges whether a macromolecular model (or a region of it) is reliable enough to build on, using resolution, R-free, B-factors, MolProbity geometry, and predicted-model confidence with Bio.PDB. Use when deciding if a structure or a specific region is trustworthy before docking/mechanism/measurement; reading resolution, R-work vs R-free and the R-free-minus-R-work overfitting gap; sanity-checking per-residue and mean B-factors; flagging clashscore, Ramachandran and rotamer outliers and cis non-proline peptides; validating a PREDICTED (AlphaFold/ESMFold) model via pLDDT bands and PAE before docking or molecular replacement; and interpreting cryo-EM global-vs-local resolution (FSC 0.143 half-map vs 0.5 map-model) or an NMR ensemble spread. Keywords validation, resolution, R-free, B-factor, MolProbity, clashscore, Ramachandran, rotamer, pLDDT, PAE, wwPDB, cryo-EM local resolution.

Install with
Claude CodeCodexCursorGitHub CopilotGemini CLI

Supported by the Atlas install prompt. Skill-specific requirements vary.

Skill stats

Skills1CategoryScience & researchStars0

About this skill

Judges whether a macromolecular model (or a region of it) is reliable enough to build on, using resolution, R-free, B-factors, MolProbity geometry, and predicted-model confidence with Bio.PDB. Use when deciding if a structure or a specific region is trustworthy before docking/mechanism/measurement; reading resolution, R-work vs R-free and the R-free-minus-R-work overfitting gap; sanity-checking per-residue and mean B-factors; flagging clashscore, Ramachandran and rotamer outliers and cis non-proline peptides; validating a PREDICTED (AlphaFold/ESMFold) model via pLDDT bands and PAE before docking or molecular replacement; and interpreting cryo-EM global-vs-local resolution (FSC 0.143 half-map vs 0.5 map-model) or an NMR ensemble spread. Keywords validation, resolution, R-free, B-factor, MolProbity, clashscore, Ramachandran, rotamer, pLDDT, PAE, wwPDB, cryo-EM local resolution.

Quick start

  1. Copy the install prompt. Use the green button above this README.
  2. Send it to your agent. Paste it into your coding agent’s chat and send.
  3. Review the setup. Your agent checks the skill’s instructions, requirements, and installation scope.
Review, license & listing details
Review the source before using this skill

This is an imported listing. We haven’t certified its safety, license, or compatibility. Skills may include executable scripts.

Automated security scan: Partial

Only SKILL.md was scanned. Supporting files and scripts were not checked. No safety grade has been assigned.

0 potential findings · Scanned 11/4/2026 · Scanner 0.2.1

Content SHA-256: fbb3ba2d3387b410edce39b19060c3c870f723b6ed58c6ec856ff2b09b6804b1

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About this listing

Category
Science & research
Reported license
Not specified
Listing language (estimated)
English
Review status
Not individually reviewed
Agent compatibility
Atlas installation supports Claude Code, Codex, and Cursor. Skill-specific dependencies and features are checked during setup.