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, [email protected] 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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