easYPipe ‘pandda’

If you have more than 40 datasets, you can try to use PanDDA [1] which is particularly suitable to the detection of weakly bound ligands such as fragments.

This step can be run after all ‘launch’ subcommands have been executed, and aims at organizing the data processed with easYPipe in order to be able to run PanDDA.

Usage

easypipe.py data pandda [-h]

Example:

$ easypipe.py ./PROCESSED_DATA/ pandda

What does it do ?

For each dataset, ‘pandda’ easYPipe subcommand copies in a dataset folder suitable for PanDDA:

  • pdb and mtz files generated with easYPipe,
  • cif and pdb files of corresponding ligand,
_images/pandda-tree.jpg