On Tue, 2011-04-12 at 22:54 -0400, Edward A. Berry wrote:
> What about doing the Fourier summation at the precise location
> requested,
> in order to not calculate the map or interpolate at all?
> Input would be the mtz file rather than map file.
> eab
>
One advantage of map interpolation is speed - my code (admittedly not
optimized for speed) is about 6x slower than sftools/mapman combination
(the advantage of fast fourier transform and explicit use of symmetry).
But these days it is only 20ms per atom on a 40,000 reflection dataset
(on a modest 2.33GHz Core2 Q8200 CPU).
--
"Hurry up before we all come back to our senses!"
Julian, King of Lemurs
