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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
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
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