Workflows
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Protein MD Setup tutorial using BioExcel Building Blocks (biobb)
Based on the official GROMACS tutorial.
This tutorial aims to illustrate the process of setting up a simulation system containing a protein, step by step, using the BioExcel Building Blocks library (biobb). The particular example used is the Lysozyme protein (PDB code 1AKI).
Copyright & Licensing
This software has been developed in the [MMB ...
Protein MD Setup tutorial using BioExcel Building Blocks (biobb)
Based on the official GROMACS tutorial.
This tutorial aims to illustrate the process of setting up a simulation system containing a protein, step by step, using the BioExcel Building Blocks library (biobb). The particular example used is the Lysozyme protein (PDB code 1AKI).
Copyright & Licensing
This software has been developed in the [MMB ...
Protein MD Setup tutorial using BioExcel Building Blocks (biobb)
Based on the official GROMACS tutorial.
This tutorial aims to illustrate the process of setting up a simulation system containing a protein, step by step, using the BioExcel Building Blocks library (biobb). The particular example used is the Lysozyme protein (PDB code 1AKI).
Copyright & Licensing
This software has been developed in the [MMB ...
Protein MD Setup tutorial using BioExcel Building Blocks (biobb)
Based on the official GROMACS tutorial.
This tutorial aims to illustrate the process of setting up a simulation system containing a protein, step by step, using the BioExcel Building Blocks library (biobb). The particular example used is the Lysozyme protein (PDB code 1AKI).
Copyright & Licensing
This software has been developed in the [MMB ...
This workflow performs functional annotation of protein and nucleotide sequences (including CDS, genomes and metagenomes) using eggNOG-mapper and InterProScan, supports collection inputs and optional analysis steps, and can assess KEGG pathway completeness.
Associated Tutorial
This workflows is part of the tutorial Introduction to Galaxy as an RDM platform, available in the GTN
Features
- Includes Galaxy Workflow Tests
- Includes a Galaxy Workflow Report ...
Workflow Overview
This Galaxy workflow allows transferring ARC imaging data stored as .ZIP file to a target OMERO instance by 1) keeping the ARC structure and 2) automatize the metadata annotation of the assay.
How does it works
The workflow extract all the ./assays/experiment/dataset/ file path and create an OMERO dataset containing the images. The "isa.assay.xlsx" file is used to add key-value pairs to the dataset.
Workflow Inputs
The workflow as three different data inputs: ...
This workflow performs automated, parallel annotation of metagenome-assembled genomes (MAGs) to generate standardized annotation outputs, merged summary tables, and integrated quality reports across all genomes.
This experiment has been executed using:
- Model: Decision Tree regressor (test.yaml)
- n_samples: 8 (number of ALYA simulations to be run)
- Nodes used in the MN5 supercomputer: 4
- ALYA_PROCS = 56
Adapted version of a workflow used in CAELESTIS for mechanical testing simulation which was developed by Riccardo Cecco (Workflows and Distributed Computing Group, BSC) with the guidance of Gerard Guillamet (Dual Technologies Research Group, BSC) and Aravind Sasikumar (AMADE Research UDG). The workflow ...
Type: COMPSs
Creators: Riccardo Cecco, Gerard Guillamet, Aravind Sasikumar, Fernando Vázquez-Novoa, Jorge Ejarque, Rosa M Badia
Submitter: Raül Sirvent
Tests