the high-end iMac is certainly a suitable computer, but a MacPro has more processors, which I find useful in running different applications in parallel or the same one with different parameters (i.e. refmac with different weights, phaser with different starting models or copy numbers). I admit there is some "let's think less and just try all" in this approach though. Mac is somewhat more expensive than Linux, but you save time configuring the computer and installing software/drivers etc. is still a bit more straightforward. Of course, if, unlike me, you like building computers, Mac takes away this part of the fun...

Mark J. van Raaij
Dpto de BioquĂ­mica, Facultad de Farmacia
Universidad de Santiago
15782 Santiago de Compostela
Spain
http://web.usc.es/~vanraaij/







On 17 Nov 2008, at 22:47, William G. Scott wrote:

Hi Anna:

I'd recommend Mac OS X or Linux over Windows as operating systems compatible with crystallographic software. Linux flavors are a matter of taste, but Ubuntu is popular (and free), and Gentoo is another one worth looking at. Mac OS X uses a variant of FreeBSD unix, and you can pretty much do anything with it that you can with Linux, so it comes down to a matter of taste. If you go the Mac route, you can also use Parallels or VMware to run windows and/or linux in a virtualized environment nested within OS X should you need to, so you don't have to give anything up. If you don't need stereo, I would go for the largest iMac. That is now the fastest computer in my lab.

Bill

On Nov 17, 2008, at 1:00 PM, Anna S Gardberg wrote:

Dear list,
I haven't seen the "crystallographic computing platform" thread come up for a while, and I've got a chance to upgrade my desktop to a workstation, so I
thought I'd ask the CCP4BB for advice on:

1. Mac vs. Linux (which flavor?) vs. Windows
2. Graphics cards
3. Displays
4. Processors - multiple processors, multiple cores? Speed?

About half of what I do involves ~1.0 A X-ray structures - data processing,
rebuilding in Coot, refinement, and so forth - so my current desktop
(Optiplex GX745, Radeon X1300) machine drags on graphics sometimes. I don't
seem to need stereo these days, for what it's worth.

Anybody have suggestions or specs they'd like to share? Thanks in
anticipation of your advice.

Regards,
Anna Gardberg

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