Workflow Type: Galaxy
Open
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
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
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Created: 25th Jun 2024 at 10:53
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