Dear Consortium Members and Affiliates,
Time to announce our software updates again! This month we added seventeen applications to our MacIntel distribution. The installation will make the branch fairly complete, and comparable with Linux and PPC branches. We also purchased a full set of Intel compilers and will use them to further optimize Macintosh software.
Additional applications for NMR, X-ray crystallography, and EM were also installed. Please provide feedback (www.sbgrid.org/bugs) if there are any problems. While we do preliminary testing, we rely on all consortium members to provide feedback and make the distribution better. If needed, we will run emergency updates after the scheduled upgrade to rapidly fine-tune the installation. Software upgrades and updates are scheduled for Friday night, October 6th, and you should be able …
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In previous distributions the location of X-ray detectors for HKL2000 was defined as /programs/i386-linux/hkl/hklint directory. The directory contained a set of detectors that were frequently used by members of Harrison Lab at HMS. But we recognize the fact that the list is very dynamic and users need to have a different subset. We are therefore changing the HKLDIR variable to point to the hklint directory in your home directories. Before running HKL2000 please create this directory in your home and move any detector files that you frequently use for your data collection to that directory. We will maintain the /programs/share/hklint directory with a subset of some detector formats used by the labs at HMS.
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Our 144 CPU computational grid is available to the SBGrid community through the General User Program at no extra charge (www.sbgrid.org/gup). This month’s awardees include Ethan Settembre for SAXS calculations. We are also starting to work on integration with the Open Science Grid (www.opensciencegrid.org) and will update you on our initial installation of the Condor clustering software next month.
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The following, previously available in other branches applications were added to the PowerMac distribution:
megapov, vmd, and spiderMP.
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The following software, previously available in other branches, were added to the macintel distribution:
Bobscript, Delphi, dino, gromacs, megapov, nmrview, O, phaser, povray, raster3d, spdbv, stamp, somore, surfnet, vmd, spider, spiderMP, and shelx documentation.
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