SergeiNikolenko

index

"Primary router for Burette. Use when the plugin is at-mentioned or for molecular workspace work: opening structures, operating Mol* or Ketcher, reviewing SDF/property collections, trajectories, workflow result bundles, molecular reports, or Browser/Computer visual QA."

SergeiNikolenko 69 5 Updated 2mo ago

Resources

1
GitHub

Install

npx skillscat add sergeinikolenko/burette/index

Install via the SkillsCat registry.

SKILL.md

Burette

Route broad molecular workspace requests to the right focused workflow. Treat a
direct Burette invocation as intent to use this plugin.

Mandatory Preflight

Before opening files, acting on Mol*, rendering panels, or drafting a handoff,
load user-context and run:

node plugins/burette-agent/scripts/burette_agent_preflight.mjs

Use the returned envelope as the source of truth for available transports,
preferred mode, workflow routes, and current blockers. Do not use preflight as a
substitute for runtime observe.

Routing

Choose the smallest focused workflow that covers the request:

  • external-agent-contract: operate
    Burette through a short workspaceSessionId contract for external agents,
    hiding URL/session-directory transport details unless advanced control is
    needed.
  • open-workspace: open local structures,
    collections, trajectories, or result bundles in Browser preview or desktop
    app.
  • molstar-scene: run high-level Mol* scene actions
    such as focus ligand, hide waters, surface, color, contacts, and reset camera.
  • mvs-story: create, validate, package, observe, and
    navigate multi-step MolViewSpec molecular narratives.
  • molecule-collection: review SDF/grid/table
    collections, properties, filtering outputs, and selected molecule handoff.
  • trajectory-review: review trajectories,
    representative frames, RMSD/RMSF/contact metrics, and trajectory bundles.
  • workflow-results: accept externally prepared
    protein/ligand/docking/MD artifacts and display their results.
  • molecular-report: render adjacent markdown,
    table, chart, or report panels with provenance.
  • visual-qa: verify Browser preview and real desktop
    app state with Browser or Computer.

Operating Principle

The CLI is the execution contract. MCP tools wrap it. Browser and Computer
verify visual reality. Do not replace typed observe and act with screenshot
interpretation.

For external agent workflows, prefer the short MCP facade first:
burette.get_context, burette.open_workspace,
burette.open_ketcher, burette.observe_workspace, burette.control_viewer,
burette.control_ketcher, burette.render_panel, burette.create_story,
burette.validate_story, burette.observe_story, and
burette.control_story. These tools return a
stable workspaceSessionId and
compact modelContext; the advanced Burette tools remain available for
docking, fragments, reports, trajectories, and lower-level scene operations.

For Browser work, distinguish two local surfaces:

  • auto: the default route. It starts the full browser agent shell when the
    shell can start and falls back to tokenized browser-preview when the shell
    runtime is unavailable.
  • browser-agent-shell: the full Burette Browser shell, started by
    scripts/burette-agent.mjs open --mode browser-agent-shell ... on a fresh
    local port and opened as
    http://127.0.0.1:<fresh-port>/?devFiles=<encoded absolute path>&agentLayout=focus.
    The focus layout starts with the outer Projects, Info, and bottom panels
    closed so the molecular canvas has the available space; their normal toggle
    controls remain available. Use it
    when the user wants the normal app UI: sidebar, files/projects, tabs, right
    dock, bottom dock, command palette, or behavior matching the browser shell.
    Do not reuse another browser-dev port unless the user explicitly asks to
    attach to that exact surface.
  • browser-preview: the tokenized agent preview opened through
    scripts/burette-agent.mjs open --mode browser-preview ... --no-launch.
    Use it when typed MCP/CLI observe and act over a tokenized localhost
    transport are required.

Browser means the Codex in-app Browser plugin for both surfaces. Create or use
local URLs without launching an external browser and navigate them in the
in-app Browser. Do not use macOS open, Arc, Chrome, Safari, or another
external browser unless the user explicitly asks for an external browser.

Completion Gate

A Burette workflow is complete only when:

  • the requested workspace or artifact is opened or a typed blocker is reported;
  • when a Browser workspace URL was created, the final handoff includes that
    exact live URL as a clickable Markdown link, even when the Browser tab is
    already open; a file or report link is not a substitute for the workspace
    link;
  • observe.activeDocument.ready is true and the Mol* viewerAgent reports
    available/ready when the active renderer is Mol*;
  • when the active surface is Ketcher, activeSurface.ready is true and
    chemicalEditor.phase is ready;
  • Browser or Computer visual QA is run when the user asked to see the UI or the
    change affects visible layout;
  • the central molecular canvas is visibly nonblank when a rendered structure
    was requested; structure counts from Info or structureSummary are not
    visual evidence;
  • any unsupported capability is labeled unsupported, partial, or
    external_workflow with the reason.

Treat completionState: "not_ready", VIEWER_NOT_READY, a false readiness
flag, or a blank central canvas as a failed completion gate. Never summarize
such a result as a successful load.