[phenixbb] kicked maps
Maia Cherney
chern at ualberta.ca
Thu May 13 21:05:06 PDT 2010
Thank you, it worked.
Maia
Pavel Afonine wrote:
> 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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