[cctbxbb] structure factors from map

[castro at biochem.mpg.de]

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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