[phenixbb] about kick map generation
crystallogrphy
qunwan1 at gmail.com
Fri Sep 4 13:25:15 PDT 2009
Hi,
I am generating a averaged kick maps with the following script. According to
the script, there should be both kick map and normal 2fofc maps. However,
there is only one map files created. I am not sure it is kick map or routine
2fofc map. Does anyone knows?
electron_density_maps {
map_format = *xplor
map_coefficients_format = *mtz phs
suppress = None
map {
mtz_label_amplitudes = "2FOFCWT"
mtz_label_phases = "PH2FOFCWT"
likelihood_weighted = True
obs_factor = 2
calc_factor = 1
kicked = False
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 = False
fill_missing_f_obs_with_weighted_f_model = True
}
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 = False
}
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"
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
}
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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