DIMPLE (CCP4: Supported Program)


DIMPLE - automated refinement and ligand screening


DIMPLE is a pipeline created primarily to process crystals that contain a known protein and possibly a ligand bound to this protein. But in principle can be used with any model.

In the ligand screening scenario, the goal is to present a user with a quick answer to the question of whether or not they have a bound ligand or drug candidate in their crystal.

The software is suitable for both automated processing (it is deployed at a few synchrotron beamlines) as well as for manual running from the command line.


dimple [options...] input.mtz input.pdb... output_dir
All output files are stored in the specified output directory. The list of all options can be obtained by running dimple -h.

For more details see ccp4.github.io/dimple/.


Current version: Marcin Wojdyr
Previous versions: Ronan Keegan, Graeme Winter, George Pelios