[cctbxbb] structure factors from map

[Pavel Afonine]

For more examples, see

cctbx_project/mmtbx/command_line/map_to_structure_factors.py

which is the driver for phenix.map_to_structure_factors command that 
takes input map file and converts it into structure factors.

Pavel

On 12/1/14 9:23 AM, castro at biochem.mpg.de wrote:
> Thanks a lot,
>
> That was exactly what I was looking for.
>
> Marcelino
>
> Quoting Gabor Bunkoczi <gb360 at cam.ac.uk>:
>
>> Hi Marcelino,
>>
>> I am not sure that I can help you with a C++-solution, but if you want
>> to do it from Python, you can just use the structure_factors_from_map
>> method of the cctbx.miller.set class (this specifies the indices for
>> the Fourier), as this can read a double array
>> (cctbx_project/cctbx/miller/__init__.py, line 1400). Even if you want
>> to do it from C++, this function is worth a read, since it reveals how
>> to transform a real map into a complex one.
>>
>> BW, Gabor
>>
>> On 2014-12-01 16:49, castro at biochem.mpg.de wrote:
>>> Hi,
>>>
>>> Could somebody please help to find the function to transform electron
>>> density map into structures factors?
>>>
>>> I found a function "from_map()" within cctbx/maptbx/structure_factor.h,
>>> But it don't know how to transform the map into a "complex_map" format.
>>>
>>> Thanks a lot in advance,
>>> Marcelino
>>>
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>
>
>
>
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