Workflow Type: Python

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.

Version History

Version 4 (latest) Created 26th Jul 2023 at 16:48 by Genís Bayarri

Added .curvesplus folder

Frozen Version-4 e9cd0fa

Version 3 Created 14th Apr 2023 at 09:48 by Genís Bayarri

Update to BioBB 4.0.*

Frozen Version-3 d79cd8f

Version 2 Created 22nd Nov 2022 at 10:14 by Genís Bayarri

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Frozen Version-2 411d02f

Version 1 (earliest) Created 17th Mar 2022 at 11:10 by Genís Bayarri

Initial commit

Frozen Version-1 14dcf90
help Creators and Submitter
Hospital, A., & Bayarri, G. (2022). Python Structural DNA helical parameters tutorial. WorkflowHub.

Views: 2079   Downloads: 453

Created: 17th Mar 2022 at 11:10

Last updated: 14th Apr 2023 at 09:48

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