Dear Nat and Pavel,<div><br></div><div>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.<br>
<br>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.</div><div><br></div><div>Thanks again,</div><div><br></div>
<div>Jon<br><br><div class="gmail_quote">2012/7/21 Pavel Afonine <span dir="ltr"><<a href="mailto:pafonine@lbl.gov" target="_blank">pafonine@lbl.gov</a>></span><br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
<div class="im"><br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
But the resolution_factor is inconsistent - for the FFT structure<br>
factors calculation (which is unavoidable), we are definitely using<br>
1/3 (I assume for speed reasons). �For most of the other optional<br>
tasks like rotamer correction and filling missing F-obs, it's 1/4.<br>
</blockquote>
<br></div>
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.<span class="HOEnZb"><font color="#888888"><br>
<br>
Pavel</font></span><div class="HOEnZb"><div class="h5"><br>
<br>
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