MR Grid Distributed molecular replacement
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replace molecular molecule molecular replacement replace molecule crystallographer module

MR Grid Description

Distributed molecular replacement MR 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 Mac OS X 10.5 (Leopard). 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.Because Phaser is not a universal binary, the agent must have the correct version of Phaser for it’s architecture installed. This is the only requirement that MR Grid has. Requirements: · Java

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