21 Jul
2012
21 Jul
'12
1:43 p.m.
Hi Nat,
Assuming for the moment that you have 90x90x90 unit cell edges, you can calculate the approximate memory size of an FFT'd map using this formula:
map_size = 8 * a * b * c * (d_min/3)^3
I see (d_min/3) in your formula above as a grid step factor. Most of map calculations in phenix.refine and tools around it use (d_min/4). Putting this into your formula map_size = 8 * a * b * c * (d_min/4)^3 will obviously result in a smaller map, which isn't true. Am I missing something? Pavel