Diamond 4: Improved user interface

< Previous: Searching for structure data   Go to Diamond 4 Features Overview   Next: More new features >

Better integration of the document's different views
In Diamond 3 you had different view types for: structure picture editing, structure picture thumbnail survey, powder pattern, distances and angles table, and structure data set table. In Diamond 4 you can now view data sheet or distances table or powder pattern side-by-side with structure table and thumbnails of other pictures while you edit a structure picture.

Editing a structure picture while glancing at the others
May be you just edit one single structure picture in your Diamond document, but when you create different views of your structure, may be with various designs for printing or for a presentation, it is practically to have thumbnails of at least some of the other pictures at a glance.
Some of them may be more important than the rest - for the moment you are editing. So you can arrange your preferred pictures on tabs, while you have access to the residual pictures by link buttons. (This may remind you - not coincidentally - at tabs in Internet browsers.)

Managing a lot of pictures in your document
The thumbnail preview of the structure pictures - basically already available in version 3 - offers now a variety of arrangements as simple tiles (just the thumbnail with the picture title), "content" (atom, bond etc. counts), and "details" with more detailed infos and structure parameters. The thumbnails can be arranged, sorted, grouped, or staggered in various ways and their sizes increased smoothly.

Color coding of structure parameter sets
If you have a lot of different structure parameter sets, e.g. from a database enquiry, Diamond (optionally) differentiates these sets by color, in the structure table, in the frames of the picture thumbnails, on the tabs in the picture edit view, and in the data sheet.

Closer correlation of different views with your structure picture
Powder pattern (reflection parameter table and diffraction diagram), data sheet (configurable, formerly known as "data brief"), or distances table can be shown beneath the structure picture graphics with enhanced correlation possibilities. For instance, the distances and angles table can show the distances from the selected (central) atom rather than simply the atoms from the parameter list as central atoms, with color-coding of critical (too short or long) distances.

New atom list
A new hierarchical list of atom groups, atom sites, and created atoms of structure picture gives you enhanced access to single or some atoms or some or all atoms of a site or group, e.g. to edit properties and designs or to select them. An alternative hierarchy is to group the atoms of the structure picture for symmetry-equivalent molecules and the molecular unit(s) that have been derived from the atomic parameter list involving the current bonding sphere settings (connectivity).

Additional tables
Along with the well-known tables of atomic parameters, created atoms etc., there are additional tables for:
- Created molecules (complete or at least fractional).
- Bond parameters, H-bond parameters, and non-bonding contact parameters.
The table of created bonds has been enhanced to differentiate between strong bonds and other, weaker types of connections.

Atomic parameters dialog
The atomic parameters dialog now shows the atoms as a report with the properties (label, Wyckoff position, coordinates) in several columns and items directly editable. Atoms can be arranged for sites (to group mixed site components). Symmetry-equivalent positions are recognized and specially color-coded.

< Previous: Searching for structure data   Go to Diamond 4 Features Overview   Next: More new features >