Concerning the administration of the Workflow Hub.
Space: This Team is not associated with a Space
Public web page: Not specified
Organisms: No Organisms specified
WorkflowHub PALs: No PALs for this Team
Team start date: 28th Feb 2020
Author: M. H. Rubinstein
Date Published: 1st Dec 1976
Publication Type: Journal
PubMed ID: 12345
Citation: J Pharm Pharmacol. 1976 Dec;28 Suppl:67P.
This PyCOMPSs workflow 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) in PyCOMPSs for execution on HPC. Three variants of the MD Setup workflows are included, supporting a list of structures, a list of mutations, or a cumulative set of mutations.
Creator: Adam Hospital, Pau Andrio
Submitter: Stian Soiland-Reyes
Common Workflow Language example that 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).