Dear Anna,

 

Here's my personal list of preferences for a fast and pretty inexpensive
Linux workstation for crystallography. I can provide exact specs if desired.
This assumes that you or someone in your group has basic computer hardware
skills to put the workstation together*.

 

Dual or quad core Pentium, depending on the budget. No need to go for the
'extreme' editions :-)

Motherboard with a fast bus e.g. one of the recent Intels (but not the
absolute latest version - give Linux developers time to catch up with
drivers etc. - this makes a huge difference!) Make sure that your MoBo has
multiple PCI-Express and a couple of older PCI slots, just in case.

4GB of dual DDR-3 memory

Some sort of a fatty hard drive or two (depending on whether you have RAID
for data storage and backup or not). Don't be seduced by the 'insanely
cheap' 1TB single drives - it is often safer to get a couple of really cheap
high-quality 250GB drives. Linux can use as many drives as you want in a
single logical volume anyway (or set up RAID).

NVIDIA Quattro - in my opinion a mid-range Quattro (i.e. one of the slightly
older series) is more than enough for our use

Dual 21-inch monitors. (seriously, it's very nice to have one monitor with
say Coot main window and the other one with all the buttons etc.)

Fedora core linux (at work we use Enterprise RedHat but that costs money) or
whatever recent Linux flavor that you are familiar with

Metal case and a souped-up CPU fan ( 4-core CPUs under full load tend to run
a little hot with stock Intel fans)

 

All of this should cost at ~$2000 if you buy components online and are aware
of sites like pricewatch.com and suchlike.

 

Good luck,


Arte,

 

* Additional bonus - if you build the system yourself you can choose to
install various tricked-out (modded) components for added wow factor.

  _____  

From: CCP4 bulletin board [mailto:[EMAIL PROTECTED] On Behalf Of Anna S
Gardberg
Sent: Monday, November 17, 2008 4:01 PM
To: [email protected]
Subject: [ccp4bb] Crystallographic computing platform recommendations?

 

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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