Docker Structural DNA helical parameters tutorial
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Structural DNA helical parameters from MD trajectory tutorial using BioExcel Building Blocks (biobb)

Based on the NAFlex server and in particular in its Nucleic Acids Analysis section.

This tutorial aims to illustrate the process of extracting structural and dynamical properties from a DNA MD trajectory helical parameters, step by step, using the BioExcel Building Blocks library (biobb). The particular example used is the Drew Dickerson Dodecamer sequence -CGCGAATTCGCG- (PDB code 1BNA). The trajectory used is a 500ns-long MD simulation taken from the BigNASim database (NAFlex_DDD_II entry).

Copyright & Licensing

This software has been developed in the MMB group at the BSC & IRB for the European BioExcel, funded by the European Commission (EU H2020 823830, EU H2020 675728).

Licensed under the Apache License 2.0, see the file LICENSE for details.

SEEK ID: https://workflowhub.eu/workflows/821?version=2

DOI: 10.48546/workflowhub.workflow.821.2

Version History

Version 2 (latest) Created 6th Aug 2025 at 15:03 by Genís Bayarri

Update to 5.1.*

Frozen Version-2 67f2661

Version 1 (earliest) Created 22nd Apr 2024 at 11:34 by Genís Bayarri

Initial commit

Frozen Version-1 d30e804

Creators and Submitter

Creators

Submitter

Genís Bayarri

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BioExcel Workflows

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Citation

Hospital, A., & Bayarri, G. (2025). Docker Structural DNA helical parameters tutorial. WorkflowHub. https://doi.org/10.48546/WORKFLOWHUB.WORKFLOW.821.2

License

Apache License 2.0 (Apache-2.0)

Activity

Views: 2400 Downloads: 1197

Created: 22nd Apr 2024 at 11:34

Last updated: 6th Aug 2025 at 15:07

Docker Structural DNA helical parameters tutorial Version 2 (latest) Version 2 (latest) Version 1 (earliest)