Inputs:
  • File with reflection data (Fobs or Iobs), and R-free flags (optionally);
  • label(s) selecting which reflection data arrays should be used (in case there are multiple choices in input file, there is no need to provide labels otherwise);
  • PDB file with input model;
  • some other optional parameters.
Usage examples:
  1. phenix.model_vs_data model.pdb data.hkl
  2. phenix.model_vs_data model.pdb data.hkl f_obs_label="F" r_free_flags_label="FREE"
  3. phenix.model_vs_data model.pdb data.hkl scattering_table=neutron
  4. phenix.model_vs_data model.pdb data.hkl twin_law='h,-k,l+h'

Default parameters: