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Structural Biology Programme · CNIO

Software from the Structural Biology Programme at the Spanish National Cancer Research Centre (CNIO), Madrid.

We build and maintain the tools we use every day: cryo-EM data collection and processing, protein design, biochemistry data analysis, and web apps that help us run things in the labs. Everything public here is released for the community to use and adapt.


Protein design

BinderFlow — an automated, modular pipeline for de novo protein binder design on SLURM clusters. Runs backbone generation, filtering, sequence design and scoring in batches, with BFmonitor, a web dashboard for live campaign monitoring and hit selection. Built on RFdiffusion, dl_binder_design and PyRosetta.

Cryo-EM processing

CNIO_Relion_Tools — web-based dashboards for RELION 5: relion_live.py for real-time feedback during data collection, relion_analyse.py for interactive analysis of project metadata (2D/3D classification, refinement convergence, particle statistics), plus ice-thickness estimation and parallelised PNG export.

RELION_ShiftParticles2D — RELION external job that re-centres particles after 2D classification using the centre of mass of each class average or a user-provided shift.

Biochemistry

CE_tools — processing pipeline for capillary electrophoresis data from primer-extension DNA assays: .fsa extraction, normalisation, peak quantification, statistical reporting and an interactive Dash dashboard.

Programme infrastructure

SBP-APPS — some of the programme's web apps and dashboards people are developing to carry out their everyday work, served at cryoem-cnio.github.io/SBP-APPS.


How to cite

If our tools are useful in your work, please cite them:

BinderFlow

González-Rodríguez N, Chacón-Sánchez C, Llorca O, Fernández-Leiro R. Automated and modular protein binder design with BinderFlow. PLOS Comput. Biol. 21(11), e1013747 (2025). https://doi.org/10.1371/journal.pcbi.1013747

relion_live.py / relion_analyse.py (CNIO_Relion_Tools)

González-Rodríguez N, Areán-Ulloa E, Fernández-Leiro R. A web-based dashboard for RELION metadata visualization. Acta Cryst. D 80, 93–100 (2024). https://doi.org/10.1107/S2059798323010902


Contributing

Issues and pull requests are welcome on any of the public repositories. If you hit a problem or want a feature, open an issue, we read them 🙂

Contact

Rafael Fernández-Leiro [email protected] · Genome Integrity and Structural Biology Group · CNIO

Popular repositories Loading

  1. BinderFlow BinderFlow Public

    Automated, modular pipeline for de novo protein binder design on SLURM clusters, with the BFmonitor dashboard

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  2. CNIO_Relion_Tools CNIO_Relion_Tools Public

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  3. RELION_ShiftParticles2D RELION_ShiftParticles2D Public

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  4. SBP-APPS SBP-APPS Public

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  5. CE_tools CE_tools Public

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  6. .github .github Public

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