Simple Analysis
5.0

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Workflow Type: Galaxy

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

SEEK ID: https://dev.workflowhub.eu/workflows/1122?version=1

Inputs

ID	Name	Description	Type
protein_mdsimulation_dcd	#main/protein_mdsimulation_dcd	n/a	File
protein_pdb	#main/protein_pdb	n/a	File

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	File
rmsd_tabular_output	#main/rmsd_tabular_output	n/a	File
rmsf_tabular_output	#main/rmsf_tabular_output	n/a	File

Version History

5.0 (earliest) Created 25th Jun 2024 at 11:00 by Helena Rasche

Added/updated 4 files

Open master 43b6690

Creators and Submitter

Creators

Not specified

Submitter

Helena Rasche

Discussion Channel

GTN Matrix

Tool

Bio3D

License

Creative Commons Attribution 4.0 International

Activity

Views: 290 Downloads: 99

Created: 25th Jun 2024 at 10:59

Last updated: 25th Jun 2024 at 11:00

Simple Analysis 5.0