v_ase
Documentation · PyPI · Changelog · Issues · Software paper and LaTeX source
0.3.4 · Scientific fixes & ChatGPT · Changes
An ASE-native workspace for building, editing and visualizing atomic structures, trajectories and volumetric data.
Installation And Launch
python -m pip install v_ase-gui
v_ase gui POSCAR
Use v_ase gui for an empty workspace or --interactive to edit a file.
Installation · First session ·
Supported formats · Troubleshooting
Explore
| Work with | Guide |
|---|---|
| Atoms and molecules | Move · Rotate · Build |
| Periodic interfaces | Cells, matching, registry |
| Trajectories and fields | Analysis · Volumetric data |
| Figures and projects | Appearance · Export |
| AI agents | MCP setup · GUI/MCP comparison |
| Numerical methods | Validation · Source audit |
Save And Share
One HTML file for offline viewing and project recovery. Project HTML · Export HTML View
Work With An AI Agent
You and an external agent edit the same live document. Connect MCP · Scene workflow · CLI compatibility
ChatGPT Chat setup · personal connection.
python -m pip install "v_ase-gui[mcp]"
v_ase mcp
60-run comparison: MCP completed 30/30 strict targets; GUI completed 24/30. Images, token usage and success criteria
Exact atom edits from a natural-language request. Agent workflow · Bundled Skill
Edit Structures
Select atoms, then use G to move, R to rotate and S to scale coordinates.
Editing guide · Controls
Build From Scratch
Define a cell and distribute atoms; refine overlaps with repulsion. Atomic distributions · ASE crystal builder
Add Atoms
Set composition, density, placement and allowed regions. Insertion workflow
Add Molecules
Place rigid molecules around an existing structure. Molecular insertion
Rotate Selected Atoms
Rotate around an active atom, center of mass or explicit pivot. Pivot controls
Build a phosphorene twist through successive selections and rotations. Worked examples
Periodic Cells And Interfaces
Commensurate Cells
Find compatible 2D cells within declared strain and search limits. Same-lattice matching
Match separate host and guest lattices. Host/guest workflow
Rigid Translation
Map registry or relax a selected rigid component. Registry maps · Rigid relaxation
Analyze Structures And Fields
Ordered Geometry
Select 2, 3 or 4 atoms for distance, angle or torsion. Measurements
Trajectories And Displacement
Scrub frames and inspect displacement against a reference. Trajectory analysis
Map Per-Atom Data
Color atoms by stored properties and display force vectors. Colorscales · Forces
Volumetric Fields
Inspect charge, potential and orbital grids as isosurfaces or planar sections. Isosurfaces · Planes · Combine fields
Radial And Pair-distribution Functions
Plot periodic RDFs or finite pair distributions with the appropriate normalization. RDF guide
Constraints And Relaxation
Constrain physical motion using ASE constraints. Constraint guide
FixedLine
Restrict motion to a line. Details
FixedPlane And FixScaled
Restrict motion in Cartesian or fractional directions. FixedPlane · FixScaled
Hookean
Apply spring-like restraints. Details
Relaxation
Reduce overlaps or optimize with a configured calculator. Repulsion · Run relaxation
Style Atoms, Bonds, And Rendering
Control colors, radii and visibility by label or atom index. Appearance
Choose Standard, Metal, Rubber or flat 2D rendering. Materials and rendering
Set bond topology and appearance by pair or exact atom indices. Bond controls
Export And Save
Images and video · Render Area · Blender / OBJ / Rhino · Projects and presets
Python And Remote Systems
from ase.build import molecule
from v_ase import view
view(molecule("H2O"))
Python API · Jupyter · SSH / remote files
License And Citation
1 maintainer
Release files for v-ase-gui 0.3.4
For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.
Source distribution (sdist)
| File | Size | Uploaded | |
|---|---|---|---|
| v_ase_gui-0.3.4.tar.gz | 29.5 MB | Details |
Built distribution (wheel)
| File | Interpreter | ABI | Platform | Reset |
|---|---|---|---|---|
| v_ase_gui-0.3.4-py3-none-any.whl | Python 3 | none | any | Details |
Total release size: 36.0 MB
Release files / v_ase_gui-0.3.4.tar.gz
| Download URL | v_ase_gui-0.3.4.tar.gz |
|---|---|
| Size | 29.5 MB |
| Tags | Source |
|
SHA-256 checksum How to use checksums |
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| Upload date | |
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Uploaded using Trusted Publishing? What is trusted publishing? |
No |
| Uploaded via |
twine/6.2.0 CPython/3.13.5
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Release files / v_ase_gui-0.3.4-py3-none-any.whl
| Download URL | v_ase_gui-0.3.4-py3-none-any.whl |
|---|---|
| Size | 6.5 MB |
| Tags | Python 3 |
|
SHA-256 checksum How to use checksums |
bbf6a59784bfad467aafddcf2bc123aa0660cdd1676edf0fc483c5a6e5668a36
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Uploaded using Trusted Publishing? What is trusted publishing? |
No |
| Uploaded via |
twine/6.2.0 CPython/3.13.5
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