[phenixbb] Unable to produce kicked maps

Pavel Afonine PAfonine at lbl.gov
Fri Jul 17 10:57:02 PDT 2009


Hi Carsten,

replace:

  electron_density_maps {
    map {
      mtz_label_amplitudes = "FOFCWT"
      mtz_label_phases = "PHFOFCWT"
      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 = True
      fill_missing_f_obs_with_weighted_f_model = False
    }
  }

with

  electron_density_maps {
    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_kick"
      mtz_label_phases = "PH2FOFCWT_no_fill_kick"
      likelihood_weighted = True
      obs_factor = 2
      calc_factor = 1
      kicked = True
      fill_missing_f_obs_with_weighted_f_model = False
    }
  }

and most likely this will fix the problem.

Pavel.


On 7/17/09 10:53 AM, Schubert, Carsten [PRDUS] wrote:
>
> Hi ,
>
> I am trying to make some kicked maps in 1.4.106. At the end of the run 
> all I am getting is
>
> Sorry: Duplicate mtz_label_amplitude FOFCWT
>
> Any workaround, except not to use kicked maps?
>
> Here the diff_params output for easer debugging.
>
> Cheers
>
>         Carsten
>
> <<diff.def>>
>
> ------------------------------------------------------------------------
>
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