SergeiNikolenko

trajectory-review

"Use when reviewing molecular trajectories, frame metrics, representative structures, or trajectory result bundles in Burette."

SergeiNikolenko 70 5 Updated 3mo ago

Resources

1
GitHub

Install

npx skillscat add sergeinikolenko/burette/trajectory-review

Install via the SkillsCat registry.

SKILL.md

Trajectory Review

Use this workflow for MD trajectories, Desmond-like bundles, representative
frames, RMSD/RMSF/contact plots, and trajectory cleanup outputs.

Workflow

  1. Run preflight.
  2. Identify the trajectory bundle and required companion files.
  3. Open the displayable structure or bundle through open-workspace.
  4. Validate trajectory metrics and artifacts as a bounded snapshot.
  5. Render metrics and artifact provenance in a Burette side panel or adjacent
    report file.
  6. Use Browser or Computer visual QA when trajectory controls or frame display
    must be verified.

Supported State Labels

  • supported: the bundle opens and observe reports trajectory-ready state.
  • partial: metrics or representative frames are reviewable, but interactive
    trajectory controls are missing or incomplete.
  • unsupported: required topology/coordinate files are absent or unreadable.
  • external_workflow: cleanup or production MD must run outside Burette.