Jupyter Notebook Structural DNA helical parameters tutorial
Structural DNA helical parameters from MD trajectory tutorial using BioExcel Building Blocks (biobb)
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
Licensed under the Apache License 2.0, see the file LICENSE for details.
Created: 28th Sep 2021 at 09:43
Last updated: 14th Apr 2023 at 09:45