pandda_autobuild

Installation:

git clone https://github.com/ConorFWild/pandda_autobuild.git
cd pandda_autobuild
pip install .

Running a single dataset:

Make sure rhofit is on your path
Make sure phenix is on your path
python pandda_autobuild/autobuild/autobuild.py model xmap mtz smiles x y z out_dir

Running an entire PanDDA:

Make sure rhofit is on your path
Make sure phenix is on your path
python pandda_autobuild/autobuild/autobuild_pandda.py pandda_event_table out_dir