Buz Barstow wrote:
Dear All,
I'm considering purchasing a new graphics workstation for molecular
graphics and macromolecular refinement. I'm considering buying a
machine with 2 quad core xeon processors, and a nVidia Quadro FX
graphics card with 1.5 Gb of memory.
Can the current generation of software, and maybe the next generation
of visualization software, make use of a system with so many
processors, or am I better off spending the money elsewhere?
Thanks! and all the best,
--Buz
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Pymol will use all 4 cores of my Q9300 processor, but most XRD
applications (CCP4, O, EPMR, etc.) will only use one core at a time
currently. Of course, with more cores, you can run more jobs at once
without significant penalty (depending on how memory- or disk-bound they
are). I built my last Linux workstation around a very inexpensive DG35EC
Intel motherboard and a value-oriented Intel Q9300 quad-core CPU, and
attached a 9600GT graphics card (non-stereo-enabled) and a 24" LCD
panel. For less than $1500 this configuration is pretty quick for
routine crystallography tasks. You don't really need much in the way of
hardware for XRD data processing. For image processing and movie-making
in Pymol, for example, the extra cores really shine, though.
Cheers,
--
------------------------------------------------------------------------
Roger S. Rowlett
Professor
Colgate University Presidential Scholar
Department of Chemistry
Colgate University
13 Oak Drive
Hamilton, NY 13346
tel: (315)-228-7245
ofc: (315)-228-7395
fax: (315)-228-7935
email: rrowl...@mail.colgate.edu
