3D-BioInfo + BioExcel: Protein Conformational Ensembles Generation
This workflow illustrates the process of generating protein conformational ensembles from 3D structures and analysing its molecular flexibility, step by step, using the BioExcel Building Blocks library (biobb). Workflow included in the ELIXIR 3D-Bioinfo Implementation Study: Building on PDBe-KB to chart and characterize the conformation landscape of native proteins
Topics
Collections
Details
- License:
- Apache-2.0
- Maturity:
- Emerging
- Cost:
- Free of charge
- Tool Type:
- workflow
- Operating Systems:
- Linux, Mac, Windows
- Programming Languages:
- Python
- Added:
- 5/25/2023
- Last Updated:
- 11/24/2024
Operations
Data Inputs & Outputs
Essential dynamics
Inputs
Outputs
Publications
Documentation
Other
https://biobb-wf-flexdyn.readthedocs.io/en/latest/?badge=latestRead The Docs Workflow Documentation
Downloads
- Source codeVersion: 1.0https://github.com/bioexcel/biobb_wf_flexdyn
- VM imageVersion: 1.0https://bioexcel-binder.tsi.ebi.ac.uk/v2/gh/bioexcel/biobb_wf_md_setup/master?filepath=biobb_wf_md_setup%2Fnotebooks%2Fbiobb_MDsetup_tutorial.ipynbBioExcel Binder
Links
Other
https://mmb.irbbarcelona.org/biobb/workflows#protein-conformational-ensembles-generation(Main web site (BioBB workflows))