Workflow Type: Galaxy
Open
Analysis of molecular dynamics simulations
Associated Tutorial
This workflows is part of the tutorial Simple Analysis, 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
5.0 (earliest) Created 25th Jun 2024 at 11:00 by Helena Rasche
Added/updated 4 files
Open
master
43b6690
![help](/assets/famfamfam_silk/information-8cfe563be76fb11b27c8ba778f5d40ce6800b244d6ca58ef6e9973308efbe534.png)
Creators
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Discussion Channel
Tool
Activity
Views: 132 Downloads: 50
Created: 25th Jun 2024 at 10:59
Last updated: 25th Jun 2024 at 11:00
![help](/assets/famfamfam_silk/information-8cfe563be76fb11b27c8ba778f5d40ce6800b244d6ca58ef6e9973308efbe534.png)
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