[phenixbb] creating map file only

Raja Dey rdey at usc.edu
Fri May 15 10:08:30 PDT 2009


Hi Pavel,
                I was trying to create map file only as follows:
phenix.refine 1205A-p21212.mtz may15_1_001.pdb map.params strategy=none output.prefix=may15_2 ,

map.params is as follows

refinement {
  electron_density_maps {
    map {
      mtz_label_amplitudes = 2FOFCWT
      mtz_label_phases = PH2FOFCWT
      likelihood_weighted = True
      obs_factor = 2
      calc_factor = 1
    }
    map {
      mtz_label_amplitudes = FOFCWT
      mtz_label_phases = PHFOFCWT
      likelihood_weighted = True
      obs_factor = 1
      calc_factor = 1
    }
    map {
      mtz_label_amplitudes = 3FO2FCWT
      mtz_label_phases = PH3FO2FCWT
      likelihood_weighted = False
      obs_factor = 3
      calc_factor = 2
    }    
    grid_resolution_factor = 1/4.
    region = *selection cell
    atom_selection = name CA or name N or name C
    apply_sigma_scaling = False
    apply_volume_scaling = True
  }
}



But, still I am getting only the map_coeffs.mtz file in the output.
Could you please tell what's wrong I am doing. I want to create only the map file without any refinement. Looking forward to hearing from you...

Regards...
Raja



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