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MR GridMR Grid is a Java/JSP web server application, that takes the well known molecular replacement (MR) program, Phaser1, and combines it with the power of Apple’s Xgrid technology.This allows a crystallographer to test more search models in a significantly shorter time, and reduce model bias by utilising extensive parameter sweeps. MR Grid provides a simple interface where a user can upload their structure factor data in MTZ format, as well as either a tar or zip archive containing PDB files they wish to use as search models, and the parameters they wish to search with. MR Grid then divides the users input into smaller more manageable jobs, which it then sends off, along with a Ruby script to drive Phaser, to an Xgrid for processing. Xgrid comes pre-installed on every mac running Mac OS X 10.4 (Tiger) and above. This makes it quick and easy to network existing desktop macs together to form an Xgrid, which MR Grid can then take advantage of by distributing tasks out to available agents on the Xgrid. The only requirement that MR Grid has of the agents is that, because Phaser is not a universal binary, the agent must have the correct version of Phaser for it’s architecture installed. MR Grid v.0.6.7MR Grid v.0.6.7 is now available in both the Downloads and Source sections. If you are upgrading from a previous version please be sure to read the upgrade guide. Changes: # Fixed an issue related to tar archive extraction. MR Grid v.0.6.6MR Grid v.0.6.6 is now available in both the Downloads and Source sections. If you are upgrading from a previous version please be sure to read the upgrade guide. Changes: # Fixed an "Unauthorised Access" error that occurred when trying to access job results under Snow Leopard. Apple changed the Xgrid command line tool, so that date & time output is now encased in quotes, prior to Snow Leopard, the output was unquoted. # Fixed an issue related to unzipping of .zip files. MR Grid v.0.6.x Upgrade GuideWe have produced a guide detailing how to upgrade MR Grid. It is now available in the Downloads section. MR Grid v.0.65MR Grid v.0.6.5 is now available in both the Downloads and Source sections. If you are upgrading from a previous version please be sure to read the upgrade guide. Changes: # Space Group "P212121" was missing from the list of available space groups. This has now been added an should work correctly. References:1 J. Appl. Cryst. (2007). 40, 658-674. Phaser crystallographic software. A. J. McCoy, R. W. Grosse-Kunstleve, P. D. Adams, M. D. Winn, L.C. Storoni and R.J. Read. |
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