Thanks that solved it. This fix is not very intuitive and I suppose that the label duplication occurs internally, which really takes it out of the users hand, if they don't know the trick. Is this problem going to be addressed in future versions?

Cheers,

	Carsten


-----Original Message-----
From: [email protected]
[mailto:[email protected]]On Behalf Of Pavel Afonine
Sent: Thursday, March 19, 2009 4:13 PM
To: PHENIX user mailing list
Subject: Re: [phenixbb] Problems with kicked maps in 1.4.3 or 1.4.4


Hi Carsten,

sorry for the problem.

in the scope where you say "kicked=true" do not forget to change the MTZ 
labels by, for example, appending a "_kicked" string. For example:

(...)

map {
      mtz_label_amplitudes = "2FOFCWT_kicked"
      mtz_label_phases = "PH2FOFCWT_kicked"
      likelihood_weighted = True
      obs_factor = 2
      calc_factor = 1
      kicked = True
      fill_missing_f_obs_with_weighted_f_model = True
    }


(...)

Otherwise it is conflicting with the default maps that have the same MTZ 
labels.

This problem was reported a couple of weeks ago and the above suggestion 
fixed it.

Pavel.




On 3/19/09 1:05 PM, Schubert, Carsten [PRDUS] wrote:
  

Hi Pavel,

I am having some problems with kicked maps. The job fails with a cryptic message: "Sorry Duplicate mtz_label_amplitudes: 2FOFCWT" and nothing gets written
I noticed this in 1.4.3 a couple of days ago,  just upgraded to 1.4.4, same problem. Running the same job w/o kicked maps enabled runs fine. 

Any ideas?

Cheers,

	Carsten



Here is a snipped of the .def file.

  output {
    prefix = "Prim_105_D6"
    serial = 4
    serial_format = "%03d"
    write_eff_file = True
    write_geo_file = False
    write_def_file = True
    export_final_f_model = mtz cns
    write_maps = True
    write_map_coefficients = True
  }
  electron_density_maps {
    map_format = *xplor
    map_coefficients_format = *mtz phs
    suppress = None
    map {
      mtz_label_amplitudes = None
      mtz_label_phases = None
      likelihood_weighted = None
      obs_factor = None
      calc_factor = None
      kicked = False
      fill_missing_f_obs_with_weighted_f_model = True
    }
    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
    }
    map {
      mtz_label_amplitudes = "2FOFCWT"
      mtz_label_phases = "PH2FOFCWT"
      likelihood_weighted = True
      obs_factor = 2
      calc_factor = 1
      kicked = True
      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 = True
      fill_missing_f_obs_with_weighted_f_model = True
    }
    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
  }

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