[phenixbb] regarding ncs distance - .geo file

Pavel Afonine PAfonine at lbl.gov
Mon Nov 23 00:07:29 PST 2009


ANY phenix.refine run, from GUI or from a command line, ALWAYS generates 
an anomalous difference map, if an input data file contains Fobs(+) and 
Fobs(-). Please look into output MTZ file with map coefficients for such 
map. 

Pavel.


On 11/22/09 5:43 PM, Nathaniel Echols wrote:
> On Nov 22, 2009, at 4:00 PM, Maia Cherney wrote:
>   
>> I want to verify some sulfur atoms in my ligands. I would like to use 
>> sulfur anomalous dispersion. I know the protein structure. What is the 
>> best way to generate an anomalous difference map? Is there a 
>> "phenix.find_anomalous_scatterers_from_model" or similar command in phenix?
>>     
>
>
> You can generate the anomalous difference map using either of the same commands in my last message - the only difference is that the map type is simply "anomalous".
>
> --------------------
> Nathaniel Echols
> Lawrence Berkeley Lab
> 510-486-5136
> NEchols at lbl.gov
>
>
>
>
>
>
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