easYPipe ‘summary’

This step can be run after several runs of ‘launch’ subcommands.

For each ‘launch’ subcommand, a ‘RESULT’ csv file is created that summarizes the corresponding results for each dataset (see here). So, if you have tried several options, you will have as many ‘RESULTS’ csv files.

_images/RESULTS-files-tree_NEW.jpeg

Then, you probably want to compile all these results for a better view.

Usage

easypipe.py data summary [-h]

Example:

$ easypipe.py PROCESSED_DATA summary

What does it do ?

In the ‘RESULT’ folder, ‘summary’ creates a ‘SUMMARY’ csv file where all datasets results are compiled.

For each datasets, redondant results are deleted and the remaining ones are sorted according to:

  • ‘dataset’
  • ‘SUCCESS’
  • ‘ligand search’
  • ‘mode’
  • ‘Ligand’ (found or not)
  • ‘Completeness’
_images/summary-file_NEW2.jpeg

This way, the first row of each dataset should be most of the time the best treatment to consider, but is always better to have a critical eye on information like completeness or resolution to be sure …