Dear Nat and Pavel,
thank you so much for your explanations. Assuming that the 8 in Nat's formula provides conversion to bytes, it is not such a big RAM requirement. I guess most virus structures should be approachable with an 8GB machine.
About the CPU, I think I'm going to invest in a quad-core. I feel quite comfortable in command line and I don't have fear paralelizing existing code.
Thanks again,
Jon
2012/7/21 Pavel Afonine
<pafonine@lbl.gov>
But the resolution_factor is inconsistent - for the FFT structure
factors calculation (which is unavoidable), we are definitely using
1/3 (I assume for speed reasons). For most of the other optional
tasks like rotamer correction and filling missing F-obs, it's 1/4.
Yes, we use 1/3 for structure factors and gradients calculations, and 1/4 in map calculation if the map is going to be used for things like water picking, real-space refinement, etc. This is intentional.
Pavel
--
Jon Agirre, PhD
Biophysics Unit (CSIC-UPV/EHU)
http://www.ehu.es/jon.agirre+34656756888