[phenixbb] kicked maps

[Pavel Afonine]

Hi Maia,

change names of the labels for custom defined maps. For example:

   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 = True
   }
   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
   }

Pavel.


On 5/13/10 11:26 AM, Maia Cherney wrote:
>
> Hi Pavel,
> I ran phenix.refine to produce a kicked map after deleting my ligand 
> (to get an omit map).
> I got an error message. Sorry: Duplicate mtz_label_amplitudes:2FOFCWT
>
>
> Here is part of my .def file: How should I change it?
>
> 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"
>      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 = 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
>    }
>
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