[phenixbb] SA omit map

Pavel Afonine pafonine at lbl.gov
Wed Jul 6 11:08:16 PDT 2011

Hi Folmer,

> But if people come from e.g. CNS they might not be used to thinking
> that way? (maps as mtz vs "calculated maps" representing specific
> parts of the Unit cell).

what's in MTZ is not the map, but Fourier map coefficients, that have to 
be Fourier-transformed to obtain the actual electron density map (which 
is, strictly speaking, not the electron density map but its Fourier 
image) computed on three-dimensional grid. The latter may be computed in 
the whole unit cell or around selected region. Tools such as phenix.maps 
or phenix.refine give you the full control over all of this.

All the best!

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