Find a worked example for a feature

This map covers the implemented sketch, compute and desktop surfaces. Each guide links real application screenshots and downloadable examples. Future roadmap items are listed separately below, so a reference to a planned feature is not mistaken for an available command.

Drawing, files and calculations

Feature

Illustrated exercise

Reproducible example

New/open/import, atoms, bonds, rings, selection, plus, text, compound numbers, undo/redo, zoom

Diels–Alder, manual hydrogenation

diels-alder.vsk, hydrogenation.vsk

Full palettes, elements, functional groups, curved/full/half-headed arrows, reaction roles, reagents, notes, multiple steps

Mechanisms and steps

diels-alder-mechanism.vsk, two-step.vsk, suzuki.vsk

SVG publication, browser scheme PNG, single-species server PNG, current style/layout limits

Publish Diels–Alder

SVG/PNG downloads; reaction_cli.sh

QVF, VSK, KET, MOL/V3000, SDF, RXN, SMILES, InChI, XYZ, CDXML, name import, append/replace

Formats and results

named_reactions.py, example archive, ethanol CDXML

Properties, identifiers, isotope/charge/spin/stereo, naming confidence, user names

Properties worksheet

stereochemistry.vsk, methyl-radical.vsk, REST/MCP clients

2D cleanup, 3D per/all species, conformer count/cache/replace, warnings, geometry export

Geometry

lactic-acid-3d.vsk, generator

vibe-qc five task families, method/basis/RI/dispersion/solvent/resources/frozen positions, selected/all batches, saved jobs, refusals

vibe-qc writers

inputs/vibeqc/, lactic-acid-job.vsk in the archive

Optional ORCA six tasks and option families; XYZ/QCSchema molecule; QCSchema energy/HF Hessian

Portable and ORCA

inputs/orca/, xyz/, qcschema/, qcschema-molecule/

Queue setup/readiness, submit/status/cancel/reopen/fetch

Reaction to vq, lifecycle

queue_lifecycle.py, real vibe-qc screenshots

Native/foreign QVF, original preservation, Save Sketch Copy, viewer launch/handoff

Formats and results, desktop

Native QVF in archive; fetched result from queue exercise

CLI, SDK, REST, MCP, provenance and revision conflicts

Automation

CLI, SDK, REST and MCP downloads

Install/recheck, native file associations, Open Recent/drop, save/copy/cancel, changed-file refusal, notices/About/update/quit

Desktop

Named-reaction documents and packaged setup screenshots

Shell keyboard navigation, focus, menus and compact palette

Keyboard

Diels–Alder compact-palette screenshots

All CLI commands and MCP tools

Surface

Covered operations

Exercise

CLI preparation

convert, clean, render, embed, info, name, validate, schema, writers, input, --version

reaction_cli.sh; generator’s --spec and --job examples

CLI applications

serve, desktop, mcp

Automation, desktop

CLI integrations

submit, runs, cancel, view

Queue, viewer

MCP discovery/files

status, list_writers, new_document, open_document, show_document, report

reaction_mcp.py

MCP edits/output

add_structures, set_species, clean_up, embed_3d, write_inputs, export, save_document

reaction_mcp.py; browser screenshot of its actual edits

MCP integrations

submit_jobs, show_runs, cancel_run, show_in_vibe_view

queue_lifecycle.py --transport mcp --submit, optional --cancel and --view

All REST operations

reaction_rest.py exercises the core routes against a running server; queue_lifecycle.py adds deliberately enabled external integrations. The examples verify both successful operations and expected refusal/conflict responses. Use /openapi.json or /docs on your server for exact request schemas. Here {id} is a server document id; {species} is its actual species id.

Operations

Exercise

GET /health, GET /api/version, GET /api/session, GET /api/documents

Discover health, version, capabilities and open documents.

GET /api/schema/document, POST /api/documents/validate

Save the schema; validate a good document and reject an invalid one.

POST /api/documents, GET /api/documents/{id}, DELETE /api/documents/{id}

Create/inspect a reaction; create and close a scratch document.

PUT /api/documents/{id}, PUT /api/documents/{id}/canvas

Replace with current revision; verify stale If-Match refusal.

POST /api/documents/{id}/import

Append ethanol/water, then replace with a methyl radical.

PATCH /api/documents/{id}/species/{species}

Set number/name; the properties tutorial covers multiplicity.

POST /api/documents/{id}/clean, POST /api/documents/{id}/embed

Clean and prepare multiple conformers with revision checks.

GET /api/documents/{id}/report, GET /api/documents/{id}/export/{fmt}

Check formulas; save VSK, SVG, KET, RXN, SDF and optional QVF.

POST /api/documents/{id}/save

Explain refusal without a file; serve a copied VSK for save-back.

POST /api/qvf/overwrite-check

Inspect exported QVF bytes before considering replacement.

POST /api/convert, POST /api/clean, POST /api/report, POST /api/export/{fmt}

The same operations without storing a document.

POST /api/chem/embed3d

Standalone stereo-specified lactic-acid embedding.

GET /api/writers, POST /api/inputs, POST /api/documents/{id}/inputs

Discover writers; request one input and a three-species JSON/ZIP batch.

GET /api/queue, POST /api/documents/{id}/submit, GET /api/documents/{id}/runs, POST /api/queue/runs/{run}/cancel

Real readiness, completion/cancellation and reopened run records in the lifecycle exercise.

POST /api/documents/{id}/view

Explicit --view with an installed vibe-view.

Features that remain planned

There are no working-button tutorials for PDF or chemfig export, alternate publication presets, exact canvas-layout SVG, reference-database/FIRE cleanup, constrained FIRE relaxation, grouped reaction jobs, reaction-energy annotations or barrier searches. The roadmap tracks them. Existing exchange, drawing and species calculation examples should not be read as implementations of those features.

CDXML import remains supported. CDXML writing is deferred until users request it; save editable imported documents as QVF.