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 2 (latest) 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

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

Views: 490

Created: 17th Mar 2022 at 11:10

Last used: 4th Dec 2022 at 23:19

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