Beta lactamase

Processing in Detail with Dui2

Introduction

This tutorial follows the same steps as this command line tutorial , but here processing will be driven graphically through the DIALS User Interface, Dui2.

Tutorial data

The following example uses a Beta-lactamase dataset collected using beamline I04 at Diamond Light Source, and reprocessed especially for these tutorials.

[Hint:] If you are physically at Diamond on the CCP4 Workshop, then this data is already available in your training data area. After typing module load ccp4-workshop you'll be moved to a working folder, with the data already located in the tutorial-data/summed sub directory.

The data is otherwise available for download from here. We'll only be using the first run of data in this tutorial,C2sum_1.tar, extracted to a tutorial-data/summed subdirectory.

Import

When DUI starts up you will initially be presented by a window like the following.

At this stage you can resize various parts of the interface until you are comfortable with the layout, but you can’t do much else until the dataset is imported by DIALS. To do this, click on the "Select file(s)" button, navigate to the location of the images and select any one of them. Dui2 will automatically determine the filename template and will show that with a wildcard in the text box. If there are problems with this template it is possible to edit this before importing the images. Otherwise, just click the “Run” button to proceed.

What happens then is that that the metadata are read for all the images in the dataset. If these are consistent, then the dataset is imported and initial models for the “Beam”, “Scan” and “Detector” are created. The images are now also displayed within the “Image” tab. You can adjust the contrast and colour scheme by controls under the “Display info ...” pull-down.