HADDOCK file I/O benchmark

The benchmark is composed of 1,000,000 structures in PDB format extracted from the results of applying HADDOCK to the cases of the Protein-Protein Docking Benchmark v5 (BM5), which is a well-accepted benchmark in the protein docking community. Due to the nature of the BM5 benchmark, the PDB files are different in length as they represent different molecular structures. Files are placed in a single directory and named according to the BM5 they originated from, docking procedure used, docking stage and model number, example; 1BVN_ti5-it1_167.pdb and 1AK4_cm-it0_1601.pdb. The HADDOCK file I/O benchmark is related to our BioExcel project on high throughput modelling of interactomes, this task will generate a gargantuan number of files and will only be possible by taking advantage of exascale computing resources both for processing and I/O handling.