CrystalMaker allows you to display thermal ellipsoids, using the Thermal Ellipsoid model type (Model menu). This commmand is enabled if you have thermal ellipsoid data for your structure - and you are working in crystal mode. Thermal ellipsoids cannot be plotted for 'molecule' mode. Loading Thermal Ellipsoid DataCrystalMaker can import thermal ellipsoid data from a number of different text file formats, including CIF, GSAS, PDB, SHELX, and CrystalMaker Text. Editing Thermal Ellipsoid DataYou can edit thermal ellipsoid data using the Edit Crystal sheet/dialog (Edit > Structure). By default, the Edit Crystal sheet/dialog shows only atomic coordinate data. However, you can customize the atoms list using the Show popup menu. This has options to display isotropic displacement parameters, anisotropic parameters, all displacement parameters or, if your screen is wide enough, all data. To add new data, you will need to click the Use Displacement Parameters checkbox, and then enter new values, as well as specifying the type of displacement parameter required (Biso, Uij or Bij).
Thermal Ellipsoid Display StylesThermal ellipsoids are displayed according to the element and site settings listed under the Atoms pane of the Model Options window (Model > Model Options). You can choose to display different ellipsoid styles for different elements and/or sites. CrystalMaker provides a wide range of styles, including "traditional" ORTEP black-and-white styles, stylized colour representations, and photo-realistically-rendered styles with cut-out octants to show the ellipsoid axes, and the option of translucency. The Atoms pane also lets you can specify the probability value for the ellipsoid surface (the default value is 50% probability).
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