verbose = False
dry_run = False
show_script = False
show_defaults = False
test_mode = False
phaser {
  mode = ANO CCA EP_AUTO *MR_AUTO MR_FRF MR_FTF MR_PAK MR_RNP NMAXYZ SCEDS
  sad_mode = *SAD MR_SAD
  hklin = C:\Users\Paul\OneDrive - University of Reading\Documents\DNA inc \
          UV-VIS, crystallisation and fluorescence\Crystallisation\Data from \
          DLS \
          10mar26\CPS_4873_puck8\2_v1_Plate9_cpd17_A1b\mx42040v14_xplate9cpd173_xia2dials_free.mtz
  labin = IMEAN,SIGIMEAN
  model = None
  seq_file = None
  mol_weight = None
  model_rmsd = None
  model_identity = None
  model_idhi = None
  model_idlo = None
  component_copies = 1
  search_copies = 1
  chain_type = *protein dna rna
  crystal {
    xtal_id = None
    pdb_file = None
    ha_file = None
    dataset {
      wave_id = None
      hklin = None
      labin = None
      wavelength = None
      energy = None
    }
  }
  crystal_symmetry {
    unit_cell = 23.9133 46.6189 48.4858 90 90 90
    space_group = P 21 21 21
  }
  composition {
    solvent = None
    chain {
      chain_type = protein *na
      comp_type = sequence_file sequence mw *nres
      sequence_file = None
      sequence = None
      nres = 10
      mw = None
      num = 2
    }
    atom {
      element = None
      num = None
    }
  }
  ensemble {
    model_id = """G3C3"""
    disable_check = False
    use_hetatm = False
    estimator = *oeffner chothialesk
    solution_at_origin = False
    coordinates {
      pdb = "C:\\data_processing_ifonedrivefails\\Phenix\\I04_10mar26\\04_Plate9_G5C5_17_A1b_v1_xia2dials\\5MVP-coot-2_G3C3.pdb"
      rmsd = None
      identity = 0.8000
      read_variance_from_pdb_remarks = False
    }
    map_hklin = None
    map_labels = None
    map_extent = None
    map_rms = None
    map_centre = None
    map_protein_mw = 0
    map_nucleic_mw = 0
    map_cell_scale = 1
    ptgroup {
      coverage = 0
      identity = 0
      rmsd = 0
      tolangular = 0
      tolspatial = 0
    }
    bins {
      minimum = 0
      maximum = 0
      width = 0
    }
    trace {
      pdb = None
      sampling {
        use = all calpha hexgrid *auto
        target = None
        distance = None
        range = None
        min = None
        wang = None
        asa = None
        ncycle = None
      }
    }
  }
  search {
    ensembles = G3C3
    copies = 1
  }
  solution = None
  output_dir = C:\data_processing_ifonedrivefails\Phenix\I04_10mar26\04_Plate9_G5C5_17_A1b_v1_xia2dials
  keywords {
    general {
      root = "04_Plate9_G5C5_17_A1b_v1_xia2dials_phaser"
      title = """04_Plate9_G5C5_17_A1b_v1_xia2dials"""
      mute = None
      xyzout = None
      xyzout_ensemble = None
      xyzout_principal = None
      xyzout_packing = None
      xyzout_nma_all = None
      hklout = None
      information = None
      jobs = 11
      keywords = False
    }
    atoms {
      change_scatterer = None
      change_scatterer_type = None
      change_bfac_wilson = None
      change_original = None
    }
    bfactor_wilson {
      restraint = None
      sigma = None
    }
    bfactor_sphericity {
      restraint = None
      sigma = None
    }
    bfactor_refine {
      restraint = None
      sigma = None
    }
    bins_data {
      minimum = None
      maximum = None
      width = None
    }
    boxscale = None
    composition.minimum_solvent = None
    composition.percentage = None
    cluster_pdb = None
    eigen {
      read = None
      write = None
    }
    ellg {
      target = None
      rmsd_mult = None
    }
    formfactors = *xray electron neutron
    find {
      scatterer = None
      cluster = None
      number = None
      target = None
      special_position = None
      occupancy = None
      purge {
        select = *percent sigma number all
        cutoff = None
        occupancy = None
      }
      peaks {
        select = *percent sigma number all
        cutoff = None
        cluster = None
      }
      distance {
        centrosymmetric = None
        duplicate = None
      }
    }
    hand = *off on both
    llgcompletion {
      complete = False
      scatterer = None
      clash = None
      sigma = None
      holes = None
      top = None
      ncycle = None
      method = *atomtype imaginary
    }
    llgmaps = None
    macano {
      protocol = *default off custom
      macrocycle {
        ref_anis = None
        ref_bins = None
        ref_solk = None
        ref_solb = None
        ncyc = None
        minimizer = *BFGS NEWTON DESCENT
      }
    }
    macmr {
      protocol = *default off custom
      macrocycle {
        ref_rota = None
        ref_tran = None
        ref_bfac = None
        ref_vrms = None
        ref_cell = None
        ref_ofac = None
        last_only = None
        ncyc = None
        minimizer = *BFGS NEWTON DESCENT
      }
    }
    macsad {
      protocol = *default off custom
      macrocycle {
        ref_pk = None
        ref_pb = None
        ref_xyz = None
        ref_occ = None
        ref_bfac = None
        ref_fdp = None
        ref_sa = None
        ref_sb = None
        ref_sp = None
        ref_sd = None
        ncyc = 50
        target = sadm_only *not_anom_only
        minimizer = *bfgs newton descent
      }
    }
    occupancy {
      min = None
      max = None
      merge = None
      offset = None
      fraction = None
      bias = None
      window {
        ellg = None
        max = None
        nresidues = None
      }
    }
    outliers {
      reject = None
      probability = None
      information = None
    }
    pack {
      select = *percent all
      cutoff = None
      quick = None
      compact = None
      keep_high_tfz = None
    }
    partial {
      mode = *model map
      pdb = None
      cif = None
      hklin = None
      variance = rms *id
      deviation = None
    }
    partial_labin {
      fc = None
      phic = None
    }
    peaks_rotation {
      select = *percent sigma number all
      cutoff = None
      cluster = None
      down = None
    }
    peaks_translation {
      select = *percent sigma number all
      cutoff = None
      cluster = None
    }
    permutations = None
    purge_rotation {
      enable = None
      percent = None
      number = None
    }
    purge_gyre {
      enable = None
      percent = None
      number = None
    }
    purge_translation {
      enable = None
      percent = None
      number = None
    }
    purge_rnp {
      enable = None
      percent = None
      number = None
    }
    rescore_rotation = None
    rescore_translation = None
    resharpen_percent = None
    resolution {
      high = None
      low = None
      auto_high = None
    }
    rfactor_use = None
    rfactor_cutoff = None
    rotate {
      volume = *full around
      euler = None
      range = None
    }
    sampling_rotation = None
    sampling_translation = None
    scattering {
      scatterer {
        type = None
        fp = None
        fdp = None
        fixfdp = *EDGE ON OFF
      }
      restraint = None
      sigma = None
    }
    search {
      order_auto = None
      method = *fast full
      pruning = None
      bfactor = None
      ofactor = None
    }
    sgalternative {
      select = *all hand list none
      base = None
      test = None
    }
    solparameters {
      siga_fsol = None
      siga_bsol = None
      siga_min = None
      bulk_use = None
      bulk_fsol = None
      bulk_bsol = None
    }
    solution_origin_ensemble = None
    target_rotation = *fast brute
    target_rotation_type = *LERF1 CORRELATION
    target_translation = *fast brute phased
    target_translation_type = *LETF1 LETF2
    tncs {
      use = None
      nmol = None
      maxnmol = None
      rlist_add = None
      translation {
        vector = None
        perturb = None
      }
      patterson {
        hires = None
        maps = None
        lores = None
        percent = None
        distance = None
      }
      variance {
        rmsd = None
        frac = None
      }
      rotation {
        angle = None
        sampling = None
        range = None
      }
      link {
        restraint = None
        sigma = None
      }
      pair_only = None
      gfunction_radius = None
      commensurate {
        peak = None
        tolf = None
        tolo = None
        patt = None
        miss = None
      }
    }
    topfiles = None
    translation {
      volume = *full line region around
      fractional = None
      start = None
      end = None
      range = None
      packing_use = None
      packing_base = None
      packing_cutoff = None
      packing_number = None
    }
    output_level = *logfile silent concise summary verbose debug
    zscore {
      use = None
      stop = None
      solved = None
      possibly_solved = None
      half = None
    }
    perturb {
      increment = None
      rms {
        step = None
        maximum = None
        stretch = None
        clash = None
        direction = *tofro backwards forwards
      }
    }
    nma {
      mode = None
      combinations = None
      original = None
    }
  }
  run_control {
    gui_run = True
  }
}