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Diamond 4: More new features

< Previous: Improved user interface   Go to Diamond 4 Features Overview

Please note that the features mentioned on this page are not yet available in version 4.0/4.1 but will be released in later minor updates 4.2, 4.3 etc. These minor updates are free-of-charge for customers of Diamond 4.0/4.1.

Start page with news channel and thumbnails of recently viewed structure pictures
Get informations about new Diamond versions (bug fixes and other enhancements) as well as a list or thumbnail overview of your latest opened or edited structure pictures.

More design properties of atoms and bonds
Atom designs can now be assigned to individual sites. The design of bonds and bond-like objects is enhanced (broken-off bonds, non-bonding contacts, H-bonds, etc.)

Improved recording of structure pictures to create video sequences from
The frames of the video sequence recorder are buffered in a video sequence docking window, where you can make changes (for instance omit superfluous frames) before you let Diamond create an AVI file.

Animated POV-Ray pictures or video sequences from POV-Ray pictures
You can create a POV-Ray loop (e.g. a rotation) to get a series of high-quality rendered POV-Ray pictures automatically. Besides this, you can extend the video sequence recorder in that way that it creates POV-Ray scripts from the recorded picture frames rather than just copies of the recorded Diamond pictures. The POV-Ray scripts will be rendered later in a kind of batch job, and the single frames edited like described above.

User-defined symmetry. Visualization of symmetry elements
Besides the pre-defined space groups (conventional and many non-conventional settings), you will be able to define your own sets of symmetry operations. The symmetry elements in a crystal structure will optionally be displayed as objects in your structure picture.

Bond valences
The bond valence method (bond valence sums) can be used to determine oxidation numbers of the atoms or to cross-check the given (formal) oxidation numbers or charges. The deviations can be visualized via the color differentiation function in the structure picture as well as in tabular form in the Properties view.

Powder pattern calculation with Debye formula
Besides the normal calculation of a powder pattern for a crystal structure, you can optionally calculate a powder pattern basing upon the atoms currently present in the structure picture using Debye formula.

< Previous: Improved user interface   Go to Diamond 4 Features Overview