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Reciprocal Space Station @rs-station.bsky.social · 04/09/2026

5/5 So rather than asking whether a dataset “contains an ensemble,” we suggest thinking in terms of a new research frontier: ** ensemble resolution ** Specifically, what differences between distributions can your data distinguish? What do you think? Let us know!

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Reciprocal Space Station @rs-station.bsky.social · 04/09/2026

4/5 Then comes processing. Cryo-EM preserves molecule-to-molecule variation, but filtering, alignment, classification, and reconstruction can remove or compress that information. Crucially, a reconstruction can gain spatial resolution while losing ensemble information.

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Reciprocal Space Station @rs-station.bsky.social · 04/09/2026

3/5 Single-particle measurements preserve variation more directly. But neither case gives you the ensemble for free. Averaged data constrain only certain features of the distribution. In single-particle, noise, nuisance variables, and finite sampling interfere.

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Reciprocal Space Station @rs-station.bsky.social · 04/09/2026

2/5 Different experiments encode the distributions in very different ways. An averaged measurement like X-ray diffraction can still contain a distribution: averaging observables is not the same as averaging structures.

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Reciprocal Space Station @rs-station.bsky.social · 04/09/2026

1/5 Ensembles are hot in structural biology! But here’s a question we don’t ask enough: What information survives measurement and processing? In our latest blog, @pilarcossio.bsky.social @emilthomasen.bsky.social and @minhuanli.bsky.social have a think 🤔: rs-station.github.io/2026/08/31/a...

rs-station.github.io

Are We Capturing the Ensemble? | RS Station

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Reciprocal Space Station @rs-station.bsky.social · 04/09/2026

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Reciprocal Space Station @rs-station.bsky.social · 04/09/2026

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Reciprocal Space Station @rs-station.bsky.social · 21/08/2026

@openbind.bsky.social is pushing the frontier of [structural biology x AI] by providing much needed training data to power cofolding. Now, the first cofolding model is out in the open, ready to inform drug discovery efforts -- for anyone and everyone. We love it!

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Reciprocal Space Station @rs-station.bsky.social · 21/07/2026

7/ Where we're going: teaming with @openfold.io, @openbind.bsky.social, cryo-EM + X-ray facilities to make structure beyond the single-structure frontier a reality. Thinking about this too? We’re an open community – join us: rs-station.github.io reciprocalspa-cfs9659.slack.com/archives/C07...

rs-station.github.io

Home | RS Station

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Reciprocal Space Station @rs-station.bsky.social · 21/07/2026

6/ Concretely, we will build: • Libraries for diffraction, scattering, imaging, and time-resolved experiments. • Differentiable forward models that connect experiments to conformations. - Data-driven tools that turn experiment into structure imbued with dynamics.

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Reciprocal Space Station @rs-station.bsky.social · 21/07/2026

5/ To address that gap, from our new home at OMSF we're building the AI↔️structure interface. It cuts both ways: • AI to analyze experiments (new&old) • Exp. observables will train the next bioAI Downstream: cofolding, protein-protein interfaces & biomolecular-dynamics design

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Reciprocal Space Station @rs-station.bsky.social · 21/07/2026

4/ AlphaFold and peers were trained on deposited structures, not the experimental observables. With this compression, important functional elements like dynamics got lost along the way.

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Reciprocal Space Station @rs-station.bsky.social · 21/07/2026

3/ What does that mean in practice? We believe Structural Biology Has More to Teach AI Than Coordinates alone: 🔗 rs-station.github.io/2026/07/20/r...

rs-station.github.io

Structural Biology Has More to Teach AI Than Atomic Coordinates | RS Station

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Reciprocal Space Station @rs-station.bsky.social · 21/07/2026

2/ We’re building the AI & software infrastructure to let structural biology break free of static coordinate models. OMSF provides the institutional foundation we need to grow, collaborate, and scale.

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Reciprocal Space Station @rs-station.bsky.social · 21/07/2026

1/ We're excited to announce that @rs-station.bsky.social is joining the Open Molecular Software Foundation @omsf.io!

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Reciprocal Space Station @rs-station.bsky.social · 13/05/2026

What's the future of structural biology look like? Our very own reciprocal astronaut @alisiafadini.bsky.social recently joined Jay Chodaparambil, Melanie Adams-Cioaba, Robin Roehm and @dereklowe.bsky.social for a panel on the future of SBDD in Boston at #IBA2026 to discuss exactly that!

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Reposted by Reciprocal Space Station

OpenBind @openbind.bsky.social · 06/05/2026

#OpenBind announces its first data drop marking a major milestone for AI‑Enabled #DrugDiscovery! It’s the first initiative to generate open, AI‑ready datasets for protein–drug complexes, produced continuously & at industrial scale to enable the next generation of #AI models. loom.ly/eIrsqqg

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Reposted by Reciprocal Space Station

Luca Jovine @jovinelab.org · 01/04/2026

Very happy to have had a chance to attack an initially very low-resolution #cryo-EM map with #ROCKET! Thank you again @alisiafadini.bsky.social and all other co-authors of this important work, which truly shows the power of combining experimental structural biology and #AI inference. rdcu.be/fa9YH

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Reciprocal Space Station @rs-station.bsky.social · 03/04/2026

Trying out ROCKET for structure refinement? Ask the developers questions or share feedback on the RS-Station forum! 💬🚀

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Reciprocal Space Station @rs-station.bsky.social · 01/04/2026

ROCKET-fueled refinement? That's on-brand, along with bad space-themed puns and other cool software projects at the frontier of structural biology. 🚀 ROCKET source code: github.com/rs-station/r... 1/🧑‍🚀 More projects: rs-station.github.io

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Reciprocal Space Station @rs-station.bsky.social · 25/03/2026

Did you know you can log into the RS-Station forum with your ORCID?

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Reciprocal Space Station @rs-station.bsky.social · 14/03/2026

Gemmi developer used LLMs to port ACEDRG. ACEDRG generates stereochemical restraints for small molecules and is a veritable minefield of super-technical edge cases and gotchas. Fascinating conversation here: github.com/project-gemm...

github.com

LLMs reproduce CCP4 AceDRG… · project-gemmi gemmi · Discussion #401

Let's kill the Monomer Library I'll describe here why and how I'm developing gemmi drg which aims to exactly reproduce part of AceDRG's functionality Here is how restraints are prepared and used in...

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Reciprocal Space Station @rs-station.bsky.social · 03/12/2025

New paper from Hekstra, Wang, et al. shows how to extract more signal from crystallography data using purely reciprocal space arguments. See applications to metalloproteins, drug fragment screening, and time-resolved crystallography! doi.org/10.1126/scia...

doi.org

Sensitive detection of structural dynamics using a statistical framework for comparative crystallography

Statistical modeling of similarity between crystallographic datasets strongly improves detection of structural dynamics.

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Reciprocal Space Station @rs-station.bsky.social · 25/11/2025

Congrats to reciprocal astronauts Fadini and Lane on their new publication ( bsky.app/profile/alis...)! Check out their project on the RS-Station GitHub (github.com/rs-station/m...).

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Reciprocal Space Station @rs-station.bsky.social · 18/09/2025

Where has this awesome space group symmetry visualizer been all my life? spacegroups.symotter.org

spacegroups.symotter.org

Jmol - Space Group Symmetry

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Reciprocal Space Station @rs-station.bsky.social · 09/01/2025

Hot off the presses: a molecular movie of ion conduction in a potassium channel using RS software! doi.org/10.1016/j.ce...

doi.org

Redirecting

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Reciprocal Space Station @rs-station.bsky.social · 07/01/2025

The RS crew is putting together a crystallography forum page (rs-station.discourse.group). Fill out this short survey to indicate your interest and provide feedback (forms.gle/p3xA2RaSr2wa...).

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Reciprocal Space Station @rs-station.bsky.social · 11/12/2024

Check out an exciting talk from crew-member Alisia Fadini about integrating AlphaFold / OpenFold with X-ray Structure refinement in her project Rocket 🚀, a collaboration with Minhuan Li! "AlphaFold as a Prior: Guiding Protein Predictions with Experimental Data" www.youtube.com/watch?v=XlQR...

youtube.com

2024 SSRL LCLS User Workshop Alisia Fadini

YouTube video by Reciprocal Space Station Crew

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Reciprocal Space Station @rs-station.bsky.social · 06/12/2024

In that case, you're cleared for docking! Nice to meet you 1/🚀

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