Re: [phenixbb] omit map

14 May 2010


      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.

Re: [phenixbb] omit map

Pavel Afonine