Hi Anna:
I think the main thing to emphasize in summary is that any of the
options various people have suggested would be far more than adequate
to do refinement or model building with coot. In my limited personal
experience, unless you have something as big as the ribosome, you
won't be forced to resort to 64-bit OS. I have the slowest first-
generation iMac at home, and that is more than adequate for anything
we have done. Computers simply aren't rate-limiting anymore, so
finding an operating system and hardware that you are comfortable with
should probably be your main priority.
Bill
William G. Scott
Contact info:
http://chemistry.ucsc.edu/~wgscott/
On Nov 18, 2008, at 10:41 AM, Anna S Gardberg wrote:
Dear list,
Thank you all for the helpful and thoughtful advice about
crystallographic
computing systems. Before I get into the (first day's) summary, I
have a
followup question: Has anyone worked with refinement or coot
rebuilding of
1.0 Ang. structures on an iMac? If so, what was your experience of it?
Here is a summary of the advice so far:
OPERATING SYSTEM
1. There was nearly unanimous agreement that Windows isn't really an
option.
Since I feel antipathy for Vista anyway, that part of the decision
will be
easy!
2. While many replies suggested 64-bit operating systems, especially
if RAM
exceeds 4 GB, many also warned of problems I might face compiling
coot and
CCP4 under a 64-bit OS, and their solutions seem to require more
Linux-fu
than I currently possess. However, it seems that compiling programs
as 32
bit will work fine under a 64-bit OS, and can be recompiled as 64-
bit (with
lots of cursing and asking for advice, presumably) when an application
demands it.
3. For ease of maintenance, Ubuntu Linux was generally recommended
over
others, but there were several Red Hat/Fedora proponents, as well as
support
for other Linux systems (Linuces?).
4. Many recommended MacOSX for least-hassle use by a non-guru. I
must say,
this sounds blissful, for I have lost many days of my life to the
hassles of
stressful software installation.
HARDWARE
1. Many of the suggestions involved constructing systems from
components, a
feat beyond my current skill and inclination. Thus, I will purchase a
pre-built system.
2. If going with OSX, there was disagreement about the necessity for
a Mac
Pro; some responders thought a high-end iMac would be fine. Has anyone
worked with 1.0 A structures on an iMac?
3. Eddie Snell made the point that most crystallographic software
cannot
take advantage of multiple processors yet. Still, as some people
pointed, it
is often convenient to try several refinement options at the same
time, so
there would be greater convenience with more processors.
GRAPHICS/ DISPLAY
1. NVidia graphics cards were recommended over ATI. There was
concern that
Linux drivers would not be available for the very newest ones.
2. Some recommended dual-monitors, to give you a place to put all of
your
open windows.
