Workflow constructed from history 'Hsp90-MDAnalysis'
2.0

Visit source Download RO-Crate
Workflow Type: Galaxy

High Throughput Molecular Dynamics and Analysis

Associated Tutorial

This workflows is part of the tutorial Workflow constructed from history 'Hsp90-MDAnalysis', available in the GTN

Thanks to...

Tutorial Author(s): Simon Bray, Tharindu Senapathi, Christopher Barnett, Björn Grüning

gtn star logo followed by the word workflows

SEEK ID: https://dev.workflowhub.eu/workflows/1062?version=1

Steps

ID Name Description
2 GROMACS structure configuration toolshed.g2.bx.psu.edu/repos/chemteam/gmx_editconf/gmx_editconf/2019.1.4
3 MDTraj file converter toolshed.g2.bx.psu.edu/repos/chemteam/md_converter/md_converter/1.9.3.2
4 RMSD Analysis toolshed.g2.bx.psu.edu/repos/chemteam/bio3d_rmsd/bio3d_rmsd/2.3.4
5 RMSF Analysis toolshed.g2.bx.psu.edu/repos/chemteam/bio3d_rmsf/bio3d_rmsf/2.3.4
6 PCA toolshed.g2.bx.psu.edu/repos/chemteam/bio3d_pca/bio3d_pca/2.3.4
7 Cosine Content toolshed.g2.bx.psu.edu/repos/chemteam/mdanalysis_cosine_analysis/mdanalysis_cosine_analysis/0.20
8 PCA visualization toolshed.g2.bx.psu.edu/repos/chemteam/bio3d_pca_visualize/bio3d_pca_visualize/2.3.4
9 Hydrogen Bond Analysis using VMD toolshed.g2.bx.psu.edu/repos/chemteam/vmd_hbonds/vmd_hbonds/1.9.3
10 RMSD Analysis toolshed.g2.bx.psu.edu/repos/chemteam/bio3d_rmsd/bio3d_rmsd/2.3.4

Version History

2.0 (earliest) Created 25th Jun 2024 at 10:53 by Helena Rasche

Added/updated 4 files


Open master 2335126
help Creators and Submitter
Creators
Not specified
Submitter
Discussion Channel
GTN Matrix
Tools
Gromacs
Bio3D
MDAnalysis
License
Creative Commons Attribution 4.0 International
Activity

Views: 129   Downloads: 46

Created: 25th Jun 2024 at 10:53

help Attributions

None

Total size: 79.9 KB
Powered by
 (v.1.16.0-main)
About Dev WorkflowHub | Acknowledgements | Credits | Terms & Conditions | Privacy Policy
Copyright © 2008 - 2024 The University of Manchester and HITS gGmbH