Figure 6
The XCE Refinement interface for accelerated model building and refinement. The small panel on the left side shows how Coot and the new dialogue work in relation to each other; the middle and right side show an extended image of the dialogue and a schematic outline of its arrangement. The dialogue displays global and ligand-specific quality metrics of the currently loaded structure as well as a two-dimensional picture of the ligand and a radar plot summarizing a set of ligand-validation scores. XCE will automatically display 2mFo − DFc and mFo − DFc maps as well as PanDDA event maps when they are available. The arrow buttons and a drop-down menu in the control panel are used to step through the data sets. It also allows the refinement stage of a given structure and the confidence of the modelled ligand to be assigned. All structures which are part of the project can be handled within a single instance of Coot. |