pipedream

Pipedream is an automated pipeline developed by Global Phasing that links automated data processing with structure refinement with BUSTER and automated ligand fitting with Rhofit, with subsequent BUSTER post-refinement of the top solution. It works best for high occupancy ligands, whereas the PanDDA methods are designed for identifying weakly bound fragments.

Documentation: https://www.globalphasing.com/buster/manual/pipedream/manual/index.html.

XChem have dedicated Python scripts for running Pipedream and collating results to produce a highly detailed HTML report, with ability to rank ligands and export back to the XChem environment.framework (https://github.com/Daren-fearon/pipedream_xchem/tree/main).

Pipedream can also be run in an automated fashion as data is collected off the beamline. If you would like this switched on for your particular visit, please contact Rowan Walker-Gibbons.