Dimple

Click here to find out how to use DIMPLE.

The difference map pipeline DIMPLE takes the results of fast_dp and a directory of coordinate files provided by the user and: selects the most appropriate coordinate file based on the name, pointgroup and unit cell constants; copies across the spacegroup information and reindexes the data to match; computes structure factor amplitudes; performs rigid body refinement and optionally molecular replacement followed by restrained refinement using refmac5, to give a difference map, refined coordinates and an indication of the quality of refinement (Figure 1,2).


Figure 1 Workflow for difference map pipeline dimple

 


Figure 2 Illustration of results from dimple pipeline

 

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