@mdanalysis

A python library to analyze and manipulate molecular dynamics trajectories

mdanalysis.org
Joined February 2014
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🎉 Small Development Grant by @NumFOCUS for Advanced Molecular Visualizations with #MolecularNodes and @Blender ! @YuxuanZhuang and @bradyajohnston will build an API and integrate with @ProjectJupyter . See mdanalysis.org/2024/12/12/sd… fore details and how to get involved.
Visualization of a protein with secondary structure as cartoon ribbons, transparent molecular surface, and two residues highlighted as van der Waals spheres. Python code shows how to generate the image with MDAnalysis atom selections and MolecularNodes/blender.

ALT Visualization of a protein with secondary structure as cartoon ribbons, transparent molecular surface, and two residues highlighted as van der Waals spheres. Python code shows how to generate the image with MDAnalysis atom selections and MolecularNodes/blender.

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🚨 There is only ~1 week left to register for the #mdaUGM2024 before the deadline, July 14th! Register now to join us in London Aug 21-23 for exciting talks, interesting discussions and an interactive hackathon related to all things #MD and #OSS: mdanalysis.org/pages/ugm2024…
MDAnalysis UGM 2024

ALT MDAnalysis UGM 2024

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Greetings from the joint MDAnalysis / @MolSSI_NSF hybrid workshop at @ASUPhysics : from users to developers in the analysis of molecular simulations with software engineering best practices and MDAKits mdanalysis.org/2024/05/14/AS… : ~45 in-person attendees+instructors and ~80 online.
Group photo from the MDAnalysis/MolSSI Workshop @ ASU June 24-25 2024.

ALT Group photo from the MDAnalysis/MolSSI Workshop @ ASU June 24-25 2024.

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MDAnalysis is thrilled to be working with 4 amazing new contributors through the @GoogleOSS Summer of Code and @outreachy programs. Meet them all and learn more about the projects they will be working on over the next few months in our new blog post: mdanalysis.org/2024/05/27/gs…
Google Summer of Code logo

ALT Google Summer of Code logo

Outreachy logo

ALT Outreachy logo

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Register for our joint MDAnalysis/@MolSSI_NSF workshop at Arizona State U @ASUPhysics on June 24-25th 2024. Attendance is free, travel bursaries are available, register for in-person or online attendance at mdanalysis.org/2024/05/14/AS… Registration deadline is soon, May 27, 2024.
MDAnalysis Workshop June 24-25th 2024, Arizona State University. Stylized saguaro cactus with flowers shaped like the MDAnalysis logo.

ALT MDAnalysis Workshop June 24-25th 2024, Arizona State University. Stylized saguaro cactus with flowers shaped like the MDAnalysis logo.

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Save the date: June 24th & 25th: Joint MDAnalysis / @MolSSI_NSF workshop at Arizona State University @ASUPhysics . Details to follow. mdanalysis.org/2024/04/24/AS…
MDAnalysis Workshop June 24-25th 2024 at Arizona State University. A saguaro cactus in the desert with flowers shaped like the MDAnalysis logo.

ALT MDAnalysis Workshop June 24-25th 2024 at Arizona State University. A saguaro cactus in the desert with flowers shaped like the MDAnalysis logo.

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Our next keynote speaker for the #mdaUGM2024 is Dr. Francesca Stanzione, a Senior Scientist at @soseiheptaresco! Read more on the MDAnalysis blog: mdanalysis.org/2024/03/14/ug…
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Meet our first keynote speaker for the #mdaUGM2024: Dr. Antonia Mey (@ppxasjsm), a Chancellor's Fellow at the @EdinburghUni School of Chemistry! Read more on our blog: mdanalysis.org/2024/03/14/ug…
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Replying to @jof__96 @bradyajohnston
Yes, the sessions will be recorded! The MDAnalysis material will be very similar to what was delivered in an MDAnalysis workshop in October 2023; you can already check out that recording on our YouTube channel: youtube.com/watch?v=njzoNzOw…

Intro to MDAnalysis Workshop

Instructors: Micaela Matta, Richard Gowers, Fiona Naughton, Ian Ken...

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Want to learn about analyzing and visualizing molecular simulation data? Join us Feb 28 at 3:00 UTC for a free online workshop on a basic workflow with @mdanalysis #python and #MolecularNodes (with @bradyajohnston )/ #blender . Apply before Feb 19: mdanalysis.org/2024/02/05/md…
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