fastmdx 0.1.0__py3-none-any.whl
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fastmdx/__init__.py
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"""`fastmdx` is the PyPI alias for FastMDXplorer.
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The canonical package is `fastmdxplorer`. This alias exists so that
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`pip install fastmdx` works for users who type the shorter name.
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Recommended usage in code:
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import fastmdxplorer as fastmdx # preferred
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The bare `import fastmdx` form also works and re-exports the
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`fastmdxplorer` namespace.
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"""
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import warnings
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# Re-export the canonical package's public surface.
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from fastmdxplorer import * # noqa: F401,F403
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from fastmdxplorer import ( # noqa: F401
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FastMDXplorer,
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__author__,
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__citation__,
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__doi__,
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__expansion__,
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__license__,
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__version__,
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)
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# Friendly notice when the alias is imported directly.
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warnings.warn(
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"Importing 'fastmdx' is supported as a PyPI/import alias for "
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"'fastmdxplorer'. The recommended idiom is "
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"`import fastmdxplorer as fastmdx`. The CLI command is also `fastmdx`.",
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stacklevel=2,
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)
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Metadata-Version: 2.4
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Name: fastmdx
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Version: 0.1.0
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Summary: Alias for FastMDXplorer; installs the canonical 'fastmdxplorer' package.
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Author: Adekunle Aina, Derrick Kwan
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License: MIT
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Project-URL: Homepage, https://github.com/aai-research-lab/FastMDXplorer
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Project-URL: Repository, https://github.com/aai-research-lab/FastMDXplorer
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Keywords: fastmdxplorer,fastmdx,molecular-dynamics
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Classifier: Development Status :: 3 - Alpha
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Classifier: Intended Audience :: Science/Research
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Classifier: License :: OSI Approved :: MIT License
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Classifier: Operating System :: OS Independent
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Classifier: Programming Language :: Python :: 3
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Classifier: Topic :: Scientific/Engineering :: Chemistry
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Classifier: Topic :: Scientific/Engineering :: Physics
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Requires-Python: >=3.9
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Description-Content-Type: text/markdown
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Requires-Dist: fastmdxplorer>=0.1.0
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# fastmdx
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PyPI alias for [**FastMDXplorer**](https://github.com/aai-research-lab/FastMDXplorer).
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The canonical package is [`fastmdxplorer`](https://pypi.org/project/fastmdxplorer/). This shim exists so that `pip install fastmdx` works for users who reach for the shorter name. Installing it transparently installs `fastmdxplorer` underneath.
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## Recommended usage
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```python
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import fastmdxplorer as fastmdx
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```
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The bare `import fastmdx` form also works and re-exports the `fastmdxplorer` namespace, emitting a one-time notice suggesting the recommended idiom above.
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## CLI
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The CLI command is also `fastmdx`. It is provided by the canonical `fastmdxplorer` package, so it is available regardless of whether you `pip install fastmdxplorer` or `pip install fastmdx`.
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```bash
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fastmdx explore -system protein.pdb
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fastmdx xplore -pdb-id 1L2Y
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```
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## Source code
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All code, documentation, examples, and issue tracker live at the canonical repository:
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**https://github.com/aai-research-lab/FastMDXplorer**
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## Citation
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> Aina, A.; Kwan, D. *FastMDAnalysis: Software for Automated Analysis of Molecular Dynamics Trajectories.* J. Comput. Chem. **2026**, 47, e70350. DOI: [10.1002/jcc.70350](https://doi.org/10.1002/jcc.70350)
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## License
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MIT — see the canonical repository for the full text.
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fastmdx/__init__.py,sha256=2HavgETKtNrrfnjNLnFK7Pt4wHE2Vw8orJgSnN6zWRc,924
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fastmdx-0.1.0.dist-info/METADATA,sha256=30HWcNagfVnSq0FGK-z0QPrXmYCz2Ld__pQcRx-GBS0,2127
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fastmdx-0.1.0.dist-info/WHEEL,sha256=aeYiig01lYGDzBgS8HxWXOg3uV61G9ijOsup-k9o1sk,91
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fastmdx-0.1.0.dist-info/top_level.txt,sha256=wSR8FNnVuJE9NqqdqJoIhEjmeq_NOZ1dbsSW659beHE,8
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fastmdx-0.1.0.dist-info/RECORD,,
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fastmdx
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