[phenixbb] Enabling kicked maps...

Francis E Reyes Francis.Reyes at Colorado.EDU
Fri Aug 7 07:27:56 PDT 2009


I changed my refine def file to read:
     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
     }


and I get the error:


n_use            =  1159
n_use_u_iso      =  1159
n_use_u_aniso    =  1141
n_grad_site      =  0
n_grad_u_iso     =  0
n_grad_u_aniso   =  1141
n_grad_occupancy =  0
n_grad_fp        =  0
n_grad_fdp       =  0
n_anisotropic_flag =  1141
total number of scatterers =  1159

Sorry: Duplicate mtz_label_amplitudes:2FOFCWT


at the end of refinement.
Did I do something wrong?

thanks

FR

On Aug 6, 2009, at 4:13 PM, Pavel Afonine wrote:

> Hi Mark,
>
> thanks! Yes, I think so. I will add this to the documentation.
>
> Pavel.
>
>
> On 8/6/09 3:08 PM, Dr. Mark Mayer wrote:
>> Hi Pavel,
>>
>> It would be really nice if the Electron density maps section in the
>> online docs for phenix.refine
>>
>> http://www.phenix-online.org/documentation/refinement.htm#anch70
>>
>> was updated to decribe all the different map options people have been
>> asking about. Its much harder to find this info by digging through
>> the Q&A on the bb.
>>
>> Mark
>>
> _______________________________________________
> phenixbb mailing list
> phenixbb at phenix-online.org
> http://www.phenix-online.org/mailman/listinfo/phenixbb

---------------------------------------------
Francis Reyes M.Sc.
215 UCB
University of Colorado at Boulder

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