cctbx / cctbx_project

Computational Crystallography Toolbox
https://cci.lbl.gov/docs/cctbx
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Clashscore2 #981

Closed russell-taylor closed 6 months ago

russell-taylor commented 6 months ago

Adds a clashcore2 program that mirrors the clashscore program but it uses mmtbx.reduce2 and mmtbx.probe2 rather than phenix.reduce and phenix.probe.

It takes the same command-line programs as the original except for time_limit and it also supports probe PHIL parameters.