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Construct Clashscore2 that uses Probe2 and Reduce2

Open russell-taylor opened this issue 3 months ago • 1 comments

Make phenix.clashscore2 and mmtbx.clashscore2 that uses Probe2 and Reduce2

mmtbx/command_lineclashscore.py is a script that runs mmtbx/programs/clashcore.py.

mmtbx/programs/clashscore.py is a script that runs Reduce and Probe on input files and returns a list of clashes

  • mmtbx/validation/clashscore.py has classes that it uses
  • It is run as phenix.clashscore

russell-taylor avatar Mar 18 '24 12:03 russell-taylor