Abstract (Expand)
Authors: Stian Soiland-Reyes, Genís Bayarri, Pau Andrio, Robin Long, Douglas Lowe, Ania Niewielska, Adam Hospital
Date Published: 7th Mar 2021
Publication Type: Journal
Presented at the BioExcel Summer School 2021 this lecture shows how to use BioExcel Building Blocks (BioBB).
See also part 1.
Creator: Adam Hospital
Submitter: Stian Soiland-Reyes
External LinkPresented at the BioExcel Summer School 2021 this lecture introduces the BioExcel Building Blocks (BioBB).
See also part 2.
Creators: Adam Hospital, Pau Andrio, Genís Bayarri
Submitter: Stian Soiland-Reyes
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.
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