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The **MDAnalysis Project** develops open-source tools for the analysis of molecular simulation data, providing researchers with efficient and accessible solutions for studying molecular structures and dynamics. The project is a fiscally sponsored initiative of [NumFOCUS][], a nonprofit organization that supports open-source scientific computing.
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The **MDAnalysis Project** develops open-source tools for the analysis of molecular simulation data, providing researchers with efficient and accessible solutions for studying molecular structures and dynamics.
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At the core of the project is MDAnalysis, **an open-source Python library** for analyzing molecular dynamics (MD) trajectories across [multiple formats]({{ site.docs.userguide.url }}/formats/index.html#formats). MDAnalysis enables seamless reading and writing of simulation data, allowing users to efficiently analyze molecular structures and dynamics, including particle-based trajectories and individual coordinate frames (e.g., biomolecules in the [PDB format][]).
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MDAnalysis is a fiscally sponsored project of [NumFOCUS][], a nonprofit that promotes open practices in research, data, and scientific computing.
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At the core of the project is *MDAnalysis*, **an open-source Python library** for analyzing molecular dynamics (MD) trajectories across [multiple formats]({{ site.docs.userguide.url }}/formats/index.html#formats). *MDAnalysis* enables seamless reading and writing of simulation data, allowing users to efficiently analyze molecular structures and dynamics, including particle-based trajectories and individual coordinate frames (e.g., biomolecules in the [PDB format][]).
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With MDAnalysis, you can access atomic coordinates as [NumPy][] arrays, providing a flexible and efficient framework for complex analysis tasks. The library includes powerful [atom selection commands]({{ site.docs.userguide.url }}/selections.html) for extracting subsets of structures and supports trajectory transformations (e.g., fitting to a reference structure).
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With *MDAnalysis*, you can access atomic coordinates as [NumPy][] arrays, providing a flexible and efficient framework for complex analysis tasks. The library includes powerful [atom selection commands]({{ site.docs.userguide.url }}/selections.html) for extracting subsets of structures and supports trajectory transformations (e.g., fitting to a reference structure).
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Learn more about our **mission, development, team, and governance** on the [About MDAnalysis]({{ site.baseurl }}/about/) page.
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## Get Started
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If you're new to MDAnalysis, explore the following resources to install the library, access tutorials, and dive into the documentation:
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If you're new to *MDAnalysis*, explore the following resources to install the `MDAnalysis` package, access tutorials, and dive into the documentation:
@@ -39,6 +41,8 @@ Want to contribute to MDAnalysis? Here’s how:
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-[Contribute]({{ site.baseurl }}/pages/contribute/) — Learn how to help improve MDAnalysis through coding, documentation, or discussions.
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-[MDAKits and MDA-based tools]({{ site.baseurl }}/pages/mdakits/) — Build and extend MDAnalysis with MDAKits.
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-[Support MDAnalysis financially](#funding--support)— Donate via NumFOCUS to sustain the project.
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## Citing MDAnalysis
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@@ -50,19 +54,20 @@ Additionally, consider displaying our badge in your projects that use MDAnalysis
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## Funding & Support
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MDAnalysis is a fiscally sponsored project of [NumFOCUS][]. We have received generous support from organizations such as the **Chan Zuckerberg Initiative, Google, and the National Science Foundation**.
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If you find MDAnalysis useful and would like to support its continued development, please consider making a donation. You can learn more about out Sponsors in our [Funding]({{ site.baseurl }}/pages/funding/) page.
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{{ site.numfocus.donate_button }}
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To learn more about our Sponsors or how to support MDAnalysis, visit our [Funding]({{ site.baseurl }}/pages/funding/) page.
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<small>
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Donations are made through [our fiscal sponsor][], [NumFOCUS][], which is a 501(c)(3) non-profit charity in the United States; as such, donations to NumFOCUS are tax-deductible as allowed by law. As with any donation, you should consult with your personal tax adviser or the IRS about your particular tax situation.
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