ORCA Studio
Installation
For the command-line interface:
uv tool install orca-studio
Access the modules in your own Python code:
uv add orca-studio
Or if you're not using uv:
pip install orca-studio
Modules
ORCA Parse
reading and interpreting data from ORCA output files
Data is made available either directly as values (int, float, bool, ..), custom dataclasses for structured, non-tabular data (e.g. AILFT data etc.), and polars DataFrames for tabular data such as absorption spectra.
Each parsing task is handeled in a separate file in src/orca_parse.
The module exposes a central OrcaOutput class that bundles all parseable attributes
and provides introspective access via properties.
ORCA Render
creating and rendering 3D visualizations of molecular structures and density isosurfaces
The molecule and isosurfaces are added as meshes to a plotly Figure object.
The module exposes a single user-facing Renderer class.
Creating densities (i.e. cube files) requires orca_plot to be available in the $PATH.
ORCA Studio
high-level data analysis and visualization with Marimo GUI applications and CLI interface
This central module utilizes the lower-level orca_parse and orca_render modules to
craft powerful tools for analyzing ORCA calculations.
Raw data from orca_parse is refined to provide insight-oriented summaries.
1 maintainer
Metadata
1 maintainer
Release files for orca-studio 0.2.17
For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.
Source distribution (sdist)
| File | Size | Uploaded | |
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| orca_studio-0.2.17.tar.gz | 734.3 kB | Details |
Built distribution (wheel)
| File | Interpreter | ABI | Platform | Reset |
|---|---|---|---|---|
| orca_studio-0.2.17-py3-none-any.whl | Python 3 | none | any | Details |
Total release size: 774.7 kB
Release files / orca_studio-0.2.17.tar.gz
| Download URL | orca_studio-0.2.17.tar.gz |
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| Size | 734.3 kB |
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| Download URL | orca_studio-0.2.17-py3-none-any.whl |
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| Size | 40.4 kB |
| Tags | Python 3 |
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