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mdanalysis mdanalysis mdanalysis working with data in the molecular sciences enable javascript for search home about mdanalysis news getting started learning mdanalysis documentation community events contribute mdanalysis team mda ecosystem citations privacy policy donate now 2026 all rights reserved 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 mdanalysis is a fiscally sponsored project of numfocus a nonprofit that promotes open practices in research data and scientific computing at the core of the project is mdanalysis an open source python library for analyzing molecular dynamics md trajectories across multiple 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 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 for extracting subsets of structures and supports trajectory transformations e g fitting to a reference structure learn more about our mission development team and governance on the about mdanalysis page get started if you re new to mdanalysis explore the following resources to install the mdanalysis package access tutorials and dive into the documentation getting started learning mdanalysis documentation community mdanalysis is driven by an active community of users and contributors stay updated and get involved through the following pages news stay updated with development news and community highlights community get involved ask questions and collaborate events join workshops conferences and mentoring programs contributing want to contribute to mdanalysis here s how contribute learn how to help improve mdanalysis through coding documentation or discussions join a team express your interest in contributing to any of the roles related to sustaining the mdanalysis project mdakits and mda based tools build and extend mdanalysis with mdakits support mdanalysis financially donate via numfocus to sustain the project citing mdanalysis if you use mdanalysis in your research please cite it appropriately and consider displaying our mdanalysis badge in your projects all citation formats and badge instructions are available in our citation guidelines additionally consider displaying our badge in your projects that use mdanalysis we provide several embedding markup examples funding support 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 page donate now 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