[phenixbb] omit map

[Pavel Afonine]

Hi Maia,

> Hi Pavel, sorry to send you this letter again, as I did not get the 
> answer.
>
> I ran phenix.refine to produce a kicked map after deleting my ligand 
> (to get an omit map).
> I could not make the Average Kick mFo-DFc Map using phenix.refine or 
> phenix.maps.
>
> I got an error message. Sorry: Duplicate mtz_label_amplitudes:2FOFCWT
>
>
> Here is part of my .def file: How should I change it?

You have :

>   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
>   }

Replace it with (find two difference between two blocks of parameters: 
above and below), 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
  }


Again, you have:

>   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
>   }

Replace it with:

>   map {
>     mtz_label_amplitudes = "FOFCWT_kicked"
>     mtz_label_phases = "PHFOFCWT_kicked"
>     likelihood_weighted = True
>     obs_factor = 1
>     calc_factor = 1
>     kicked = True
>     fill_missing_f_obs_with_weighted_f_model = False
>   }

Good luck!
Pavel.