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).
- (c) 2015-2022 Barcelona Supercomputing Center
- (c) 2015-2022 Institute for Research in Biomedicine
Licensed under the Apache License 2.0, see the file LICENSE for details.
Version History
Version 5 (latest) Created 4th Mar 2024 at 15:36 by Genís Bayarri
Update to 4.1.*
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Version-5
20f7b64
Version 4 Created 26th Jul 2023 at 14:28 by Genís Bayarri
Fixed importlib_metadata bug
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Version-4
b33c880
Version 3 Created 14th Apr 2023 at 09:45 by Genís Bayarri
Update to BioBB 4.0.*
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Version-3
7a42ed4
Version 2 Created 15th Sep 2022 at 13:36 by Genís Bayarri
Update to BioBB 3.8.*. taken from Git commit f7f9ced
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Version-2
902f865
Version 1 (earliest) Created 28th Sep 2021 at 09:43 by Genís Bayarri
Initial Commit.Taken from Git commit a0fb606
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Version-1
80da9d4
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Views: 4469 Downloads: 1288
Created: 28th Sep 2021 at 09:43
Last updated: 14th Apr 2023 at 09:45
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