Workflow constructed from history 'Hsp90-MDAnalysis' 2.0
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Run on GalaxyHigh Throughput Molecular Dynamics and Analysis
Associated Tutorial
This workflows is part of the tutorial High Throughput Molecular Dynamics and Analysis, available in the GTN
Thanks to...
Tutorial Author(s): Simon Bray, Tharindu Senapathi, Christopher Barnett, Björn Grüning
Tutorial Contributor(s): Helena Rasche, Nadia Goué, Saskia Hiltemann, Simon Bray, Simon Gladman, Christopher Barnett, Tharindu Senapathi, Stéphanie Robin, Anthony Bretaudeau, Martin Čech, Björn Grüning, Armin Dadras
Funder(s): ELIXIR Europe, de.NBI, University of Freiburg
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
master
Creators and Submitter
Views: 1183 Downloads: 162 Runs: 0
Created: 2nd Jun 2025 at 11:04
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Organizations: Galaxy
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