vibe-view command reference

Every vibe-view command, grouped by what you are trying to do. The one-line descriptions are the commands’ own, so this page and vibe-view --help cannot drift apart.

Each command takes --help for its full option list; this page names the options worth knowing about and leaves the rest to --help, which is always current.

Note

Which extra do I need? Most of this works on the base install (pip install ./vibe-view). Only two things need more: open, compare, serve and dashboard need the browser stack ([viewer]), and tui needs Textual ([tui]). See Getting started with vibe-view alone for the install itself. Run a command whose extra is missing and vibe-view names the extra and the exact install command.

Look at an archive

Command

Does

Needs

vibe-view open QVF_FILES...

Open one or more .qvf files and launch the interactive viewer.

[viewer]

vibe-view tui QVF_FILE

Open a QVF in the interactive terminal viewer.

[tui]

vibe-view show QVF_FILE

Print one frame of a QVF to the terminal and exit.

base

vibe-view desktop FILE

Launch the vibe-view desktop application (native Electron window).

packaged app

vibe-view compare QVF_A QVF_B

Open two .qvf files side by side with compare mode enabled.

[viewer]

vibe-view serve DIRECTORY

Start a web-based QVF file browser for a directory.

[viewer]

vibe-view dashboard PATTERNS...

Render a grid preview of multiple QVF files.

[viewer]

open takes --port, --host, --no-browser, -s/--section to start on a named section, and --auto-compare when you pass several files. show takes the terminal-rendering flags (--size, --mode, --plain, --representation, --color-by, --rotate, --replicate, --isovalue, --frame, --chart, --all, --info); see Terminal mode. dashboard takes --cols, --cell-size and --html.

Render and export

Command

Does

Needs

vibe-view capture QVF_FILE

Render a section to PNG via the headless capture API.

base

vibe-view animate QVF_FILE

Render animated sections (trajectory, reaction paths, vibrations, orbitals) to MP4/GIF.

base

vibe-view batch PATTERNS...

Render a gallery of PNGs from many .qvf files (offscreen).

base

vibe-view export QVF_FILE

Export geometry from a .qvf.

base

vibe-view table QVF_FILE

Dump tabular data (frequencies, charges, MO energies) from a .qvf.

base

export writes XYZ, CIF, OBJ, glTF, standalone HTML and JSON via -f. Rendering needs no browser, which is the point: this is the group to reach for in a script, a CI job, or a figure pipeline. If a render fails complaining about a display or a GL context, set PYVISTA_OFF_SCREEN=True.

Inspect, verify, compare

Command

Does

Needs

vibe-view info QVF_FILE

Print detailed metadata and section summary for a .qvf file.

base

vibe-view validate QVF_FILES...

Validate QVF file integrity: schema, SHA-256 hashes, member presence.

base

vibe-view diff QVF_A QVF_B

Compare two .qvf files: energy delta, section differences, geometry RMSD.

base

vibe-view batch-compare QVF_FILES...

Compare multiple .qvf files: energies, RMSD, sections.

base

vibe-view stats DIRECTORY

Show aggregate statistics for all .qvf files in a directory.

base

vibe-view recent

Show recently opened QVF files.

base

info --short is a single line per archive, which is what you want in a loop. validate is the one to run before you publish or hand on an archive: it checks every member against the sha256 recorded in the manifest, so a truncated download or a corrupted transfer is caught rather than half-rendered. diff and batch-compare both take --json for scripting.

Transform archives

Command

Does

Needs

vibe-view slice QVF_FILE

Extract a subset of sections into a new .qvf file.

base

vibe-view merge QVF_FILES...

Combine sections from multiple .qvf files into one archive.

base

vibe-view supercell QVF_FILE

Build a supercell by replicating the unit cell Nx x Ny x Nz times.

base

vibe-view h-add QVF_FILE

Add hydrogen atoms to saturate all open valences.

base

slice is how you make a big archive small enough to email: keep the structure and the one section your colleague needs and drop the volumetric data. h-add writes <stem>_h.qvf unless you pass -o.

Work with the queue

Command

Does

Needs

vibe-view from-vq JOB_IDS...

Fetch job outputs from vq and open their .qvf files in vibe-view.

[viewer], vq

vibe-view vq-features [FEATURE]

Show what vibe-qc needs to produce for specific visualizations.

base

vibe-view quickstart

Run a demo calculation and open it in vibe-view, the fastest path to a 3D molecule.

vibeqc

vq-features answers the question that comes up constantly when a panel is empty: what did the calculation have to write for this to render? Run it with no argument for the list, or name a feature. quickstart runs a real calculation, so unlike everything else on this page it needs vibe-qc installed; see the vq Job Manager for the same loop inside the viewer.

Setup and self-check

Command

Does

Needs

vibe-view examples

Show example workflows for common tasks.

base

vibe-view config

Manage vibe-view configuration.

base

vibe-view capture-selftest

Validate that headless PyVista capture can render a nonblank image.

base

capture-selftest is the first thing to run on a new headless machine: it answers whether the offscreen renderer works at all, separately from whether your archive is fine. A blank PNG from capture on a server usually means the GL stack, not the data. On success it prints the pyvista and VTK versions it rendered with; -o FILE keeps the test PNG instead of discarding it, and --size WxH sets its resolution.

See also