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.
