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, [email protected] wrote:

Thanks a lot,

That was exactly what I was looking for.

Marcelino

Quoting 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, [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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