Announcing DIMPLE 1.0 Beta

We are pleased to announce the 1.0 Beta release of DIMPLE (DIfference Map PipeLinE).


Using the EDNA framework the DIMPLE pipeline takes a PDB file and an MTZ file and uses software included in the CCP4 suite to automatically calculate a difference density map. The results of the pipeline are a map file, a set or refined coordinates and a small script to automatically start COOT.

The pipeline has been based on extensive discussions with a number of users and an initial proof-of-concept application developed by Graeme Winter, solve-o-matic. In collaboration with CCP4 (namely Ronan Keegan and formerly George Pelios) and with grateful guidance from Mark Basham, the proof of principle application has been developed into an EDNA framework application. We have deployed this pipeline on Diamond beamlines where we will hopefully iron out any further problems but we would be delighted to hear if anybody else tries to use the pipeline and how you get on! Work is already underway to improve some of the reporting and usability aspects.

The software is made available under the LGPL v3 license and is available from the EDNA SVN or drop us an email. We will distribute with future releases of the CCP4 package. More details can be found from an early presentation at: http://www.edna-site.org/wiki/images/3/30/DIMPLE_-_Difference_Map_Pipeline.pdf

Signed
Graeme, Ronan and Alun