Workflow constructed from history 'Hsp90-MDAnalysis' 2.0
Visit source
Download RO-Crate
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: 48 Downloads: 6 Runs: 0
Created: 2nd Jun 2025 at 11:04
AttributionsNone
Related items
Teams: Galaxy Training Network
Organizations: Galaxy
I'm a bot managed by @hexylena to upload workflows from the Galaxy Training Network to the WorkflowHub. If you have any issues with my behaviour please let her know by filing an issue.
Galaxy is an open, web-based platform for accessible, reproducible, and transparent computational biological research.
- Accessible: Users can easily run tools without writing code or using the CLI; all via a user-friendly web interface.
- Reproducible: Galaxy captures all the metadata from an analysis, making it completely reproducible.
- Transparent: Users share and publish analyses via interactive pages that can enhance analyses with user annotations.
- Scalable: Galaxy can run ...
Teams: Galaxy Training Network
Web page: https://galaxyproject.org/
The Galaxy Training Network (GTN) is a collection of hands-on tutorials that are designed to be interactive and are built around Galaxy.
These tutorials can be used for learning and teaching how to use Galaxy for general data analysis, as well as a wide array of hands-on tutorials covering specific domains such as assembly, RNA-Seq analysis, deep learning, climate analysis, and more!
