First session

This walkthrough opens a structure, inspects it without changing scientific data, makes an optional edit, and saves a complete project.

1. Open a structure

v_ase gui POSCAR

Files open in View mode by default. View mode avoids attaching the fallback calculator and keeps large trajectory access lazy when the input format allows it. Use --interactive to start a file in Edit:

v_ase gui POSCAR --interactive

The complete local URL is printed before a blocking command waits. Keep the terminal open while using the document.

2. Navigate and select

• Middle-drag to orbit.

• Shift + middle-drag to pan.

• Use the wheel or trackpad to zoom.

• Left-click an atom to replace the selection.

• Shift-click or Shift-box to invert membership in the current selection.

• Use Ctrl+A to select all visible atoms.

• Press X, Y, or Z outside a transform to align the camera.

With two, three, or four ordered atoms selected, the Inspect/Measure view shows distance, angle, or torsion information. A selected supercell replica retains its displayed Cartesian position for direct measurement while also exposing periodic distance information when applicable.

3. Inspect the document

The control panel is divided by purpose:

Workspace	Use it for
Inspect	Selection summary, atom properties, ordered measurements
Structure	Cell, replication, labels, atom appearance, bonds, constraints, relaxation
Analysis	Displacement, RDF/pair distributions, registry, volumetric data
View	Camera, projection, viewport rendering, lighting, background, theme
Export	Render Area, images, video, projects, structures, settings, 3D scenes

Each long panel has a section menu in its header. Select a section to open and scroll to it; normal scrolling updates the active section label.

4. Play a trajectory

If the file has more than one frame, use the bottom timeline:

• Space toggles playback.

• Left/Right Arrow moves one frame.

• FPS controls playback speed.

• Skip advances by more than one source frame.

The source trajectory and a generated relaxation trajectory may coexist. Use the timeline selector explicitly; only the active timeline receives keyboard playback commands.

5. Make an edit

Switch the top-bar mode to Edit, select one or more atoms, and press Esc to return keyboard focus to the viewport. Then:

1. Press G to move, R to rotate, or S to physically scale spacing.

2. Optionally press X, Y, or Z to lock a global Cartesian axis.

3. Type an exact value, or move the pointer for an interactive preview.

4. Confirm with Enter/left-click, or cancel with Esc/right-click.

Constraints are enforced by ASE when Apply constraints is enabled. The browser preview can move freely, but committed coordinates return from the backend’s constraint-aware update.

Tip

Esc closes an open panel without clearing the atom selection. This is the fastest way to restore viewport keyboard shortcuts before a transform.

6. Undo and redo

Ctrl+Z and Ctrl+Shift+Z traverse committed user actions in chronological order. Structure and visual-setting actions share the history. Camera orbit, pan, zoom, axis alignment, and toolbar navigation are intentionally excluded.

7. Save the work

Open Export > Save Project:

• Save .vase for the smallest editable project.

• Enable Include interactive rendered view to create one self-contained project HTML containing the validated .vase archive, poster, and offline interactive view.

Use HTML View instead when the recipient only needs a lightweight, view-only 3D handoff. Use the structure export controls when only the current ASE geometry is needed.

8. Close cleanly

Close the v_ase document or window. When the final connected page closes, the default blocking terminal session is finalized and the local server is released. --no-block and Python block=False return control earlier and therefore require explicit lifecycle handling.

A reproducible practice file

From a source checkout, the examples provide small test scenes:

python examples/basic.py
python examples/constrained.py
python examples/relax.py

Continue with Workspace model for documents and modes, or jump to a task in the user guide.