[phenixbb] Unable to produce kicked maps

[Schubert, Carsten [PRDUS]]

Pavel,

 

that worked. Thanks

 

From: phenixbb-bounces at phenix-online.org
[mailto:phenixbb-bounces at phenix-online.org] On Behalf Of Pavel Afonine
Sent: Friday, July 17, 2009 1:57 PM
To: PHENIX user mailing list
Subject: Re: [phenixbb] Unable to produce kicked maps

 

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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