[phenixbb] about kick map generation

4 Sep 2009


      Hi,
I am generating a averaged kick maps with the following script. According to
the script, there should be both kick map and normal 2fofc maps. However,
there is only one map files created. I am not sure it is kick map or routine
2fofc map. Does anyone knows?

electron_density_maps {
    map_format = *xplor
    map_coefficients_format = *mtz phs
    suppress = None
    map {
      mtz_label_amplitudes = "2FOFCWT"
      mtz_label_phases = "PH2FOFCWT"
      likelihood_weighted = True
      obs_factor = 2
      calc_factor = 1
      kicked = False
      fill_missing_f_obs_with_weighted_f_model = True
    }
    map {
      mtz_label_amplitudes = "FOFCWT"
      mtz_label_phases = "PHFOFCWT"
      likelihood_weighted = True
      obs_factor = 1
      calc_factor = 1
      kicked = False
      fill_missing_f_obs_with_weighted_f_model = True
    }
    map {
      mtz_label_amplitudes = "2FOFCWT_kick"
      mtz_label_phases = "PH2FOFCWT_kick"
      likelihood_weighted = True
      obs_factor = 2
      calc_factor = 1
      kicked = True
      fill_missing_f_obs_with_weighted_f_model = False
    }
    map {
      mtz_label_amplitudes = "FOFCWT_kick"
      mtz_label_phases = "PHFOFCWT_kick"
      likelihood_weighted = True
      obs_factor = 1
      calc_factor = 1
      kicked = True
      fill_missing_f_obs_with_weighted_f_model = False
    }
    map {
      mtz_label_amplitudes = "2FOFCWT_no_fill"
      mtz_label_phases = "PH2FOFCWT_no_fill"
      likelihood_weighted = True
      obs_factor = 2
      calc_factor = 1
      kicked = False
      fill_missing_f_obs_with_weighted_f_model = False
    }
    map {
      mtz_label_amplitudes = "FOFCWT_no_fill"
      mtz_label_phases = "PHFOFCWT_no_fill"
      likelihood_weighted = True
      obs_factor = 1
      calc_factor = 1
      kicked = False
      fill_missing_f_obs_with_weighted_f_model = False
    }
    anomalous_difference_map {
      mtz_label_amplitudes = "ANOM"
      mtz_label_phases = "PHANOM"
    }
    grid_resolution_factor = 0.25
    region = *selection cell
    atom_selection = None
    atom_selection_buffer = 3
    apply_sigma_scaling = True
    apply_volume_scaling = False
  }

[phenixbb] about kick map generation

crystallogrphy