[phenixbb] creating map file only
Raja Dey
rdey at usc.edu
Fri May 15 10:08:30 PDT 2009
Hi Pavel,
I was trying to create map file only as follows:
phenix.refine 1205A-p21212.mtz may15_1_001.pdb map.params strategy=none output.prefix=may15_2 ,
map.params is as follows
refinement {
electron_density_maps {
map {
mtz_label_amplitudes = 2FOFCWT
mtz_label_phases = PH2FOFCWT
likelihood_weighted = True
obs_factor = 2
calc_factor = 1
}
map {
mtz_label_amplitudes = FOFCWT
mtz_label_phases = PHFOFCWT
likelihood_weighted = True
obs_factor = 1
calc_factor = 1
}
map {
mtz_label_amplitudes = 3FO2FCWT
mtz_label_phases = PH3FO2FCWT
likelihood_weighted = False
obs_factor = 3
calc_factor = 2
}
grid_resolution_factor = 1/4.
region = *selection cell
atom_selection = name CA or name N or name C
apply_sigma_scaling = False
apply_volume_scaling = True
}
}
But, still I am getting only the map_coeffs.mtz file in the output.
Could you please tell what's wrong I am doing. I want to create only the map file without any refinement. Looking forward to hearing from you...
Regards...
Raja
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