[cctbxbb] structure factors from map

[Gabor Bunkoczi]

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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