Simple Analysis 5.0
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Run on GalaxyAnalysis of molecular dynamics simulations
Associated Tutorial
This workflows is part of the tutorial Analysis of molecular dynamics simulations, available in the GTN
Features
- Includes Galaxy Workflow Tests
Thanks to...
Tutorial Author(s): Christopher Barnett, Tharindu Senapathi, Simon Bray, Nadia Goué
Inputs
| ID | Name | Description | Type |
|---|---|---|---|
| protein_mdsimulation_dcd | #main/protein_mdsimulation_dcd | n/a |
|
| protein_pdb | #main/protein_pdb | n/a |
|
Steps
| ID | Name | Description |
|---|---|---|
| 2 | RMSD Analysis | toolshed.g2.bx.psu.edu/repos/chemteam/bio3d_rmsd/bio3d_rmsd/2.3 |
| 3 | RMSF Analysis | toolshed.g2.bx.psu.edu/repos/chemteam/bio3d_rmsf/bio3d_rmsf/2.3 |
| 4 | PCA | toolshed.g2.bx.psu.edu/repos/chemteam/bio3d_pca/bio3d_pca/2.3 |
Outputs
| ID | Name | Description | Type |
|---|---|---|---|
| pca_tabular_output | #main/pca_tabular_output | n/a |
|
| rmsd_tabular_output | #main/rmsd_tabular_output | n/a |
|
| rmsf_tabular_output | #main/rmsf_tabular_output | n/a |
|
Version History
master
Creators and Submitter
Views: 1182 Downloads: 174 Runs: 0
Created: 2nd Jun 2025 at 11:04
AttributionsNone
Related items
Teams: Galaxy Training Network
Organizations: Galaxy
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