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MDAnalysis @mdanalysis.bsky.social @mdanalysis

A python library to analyze and manipulate molecular dynamics trajectories

Joined February 2014
  • Tweets 361
  • Following 40
  • Followers 5,357
65 Photos and videos
🎉 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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Your opinion matters! 🌟 If you haven't already, please take a moment to share your thoughts about MDAnalysis communications and resources: mdanalysis.org/2024/07/31/su…. The survey deadline is August 31st.

MDAnalysis @mdanalysis.bsky.social@mdanalysis
1 Aug 2024
Do you use or contribute to MDAnalysis? Have you attended MDAnalysis events? We invite all community members to participate in a survey before Aug 31st to help us foster an inclusive and supportive community and develop a communications strategy: mdanalysis.org/2024/07/31/su…!
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Do you use or contribute to MDAnalysis? Have you attended MDAnalysis events? We invite all community members to participate in a survey before Aug 31st to help us foster an inclusive and supportive community and develop a communications strategy: mdanalysis.org/2024/07/31/su…!
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MDAnalysis @mdanalysis.bsky.social retweeted
Brady Johnston@bradyajohnston
17 Jul 2024
I have been working like absolute crazy over the past two months for this - #MolecularNodes 4.2 is now released for #b3d 4.2 A huge number of new features - which I will cover some here. - Selections using @mdanalysis selection language are updated live.
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⏰ It's almost that time for the #mdaUGM2024 registration deadline (July 14, midnight anywhere on Earth). Sign up now to secure your spot: mdanalysis.org/pages/ugm2024… We look forward to seeing you there!

MDAnalysis @mdanalysis.bsky.social@mdanalysis
8 Jul 2024
🚨 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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Join us in Sheffield, UK to build on basic MDAnalysis skills and learn from instructors @micaelamatta and Richard Gowers about building more complex analysis scripts!
CCPBioSim@ccpbiosim
11 Jul 2024
Registration is now open for the Training Week in Sheffield 2-6 September 2024. Register by 2 August! ccpbiosim.ac.uk/training2024 #CompBio @chemshproject @mdanalysis @openmm_toolkit
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MDAnalysis @mdanalysis.bsky.social retweeted
NumFOCUS
@NumFOCUS
11 Jul 2024
Catch up on another round of the latest updates from our projects: June 2024 edition! hubs.la/Q02GgpkP0
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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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📢 One of MDAnalysis's very own core developers, Richard Gowers, will be giving a @ccpbiosim industry talk June 19th, from 14:00-15:30 BST. Read more and access the link to register in our latest blog post: mdanalysis.org/2024/05/30/cc….
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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

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📢📢Registration for #mdaUGM2024 is now open! Join us in London from 21-23 Aug to talk about all things @mdanalysis. You also won't want to miss the talks from our keynote speakers, @ppxasjsm and Francesca Stanzione. Register now to secure your place: mdanalysis.org/pages/ugm2024…
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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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🚨 Last call (TODAY) for abstract submissions for the #mdaUGM2024 ! Submit here: docs.google.com/forms/d/e/1F… Read more about the user group meeting here: mdanalysis.org/pages/ugm2024…

MDAnalysis UGM 2024 - Abstracts and Bursary Application

The MDAnalysis UGM will be held in-person across 3 days, August 21-23, 2024, in London, UK at King’s College London, in partnership with the Thomas Young Centre. We welcome abstracts from all areas...

docs.google.com
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Do you know #Python and want to learn about analysing molecular simulations data? Join us 10 May at @ucl for a workshop on #MD trajectory analysis using MDAnalysis! The deadline to register is 9 April (£10 fee includes lunch). Read more and register: mdanalysis.org/2024/03/30/ty…
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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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Happy Friday! We have exciting #mdaUGM2024 updates: mdanalysis.org/2024/03/14/ug… 1⃣ Meet 2 of our keynote speakers: Drs. Antonia Mey (@ppxasjsm) and Francesca Stanzione! We will introduce them in other posts. 2⃣ The abstract submission deadline has been extended to April 15, 2024.
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📢 Tomorrow, March 15th is the deadline for submitting your pre-proposals to work with MDAnalysis in #GSOC 2024! For more details, visit our blog post: mdanalysis.org/2024/02/27/gs…

MDAnalysis @mdanalysis.bsky.social@mdanalysis
28 Feb 2024
MDAnalysis will be in #GSOC 2024! Do you have experience with #MD or other #simulations, and like #coding to solve problems in #biophysics #chemistry #materials? Read our blog on how to apply to work on MDAnalysis: mdanalysis.org/2024/02/27/gs… Pre-proposals are due by March 15th.
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