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Diamond 4: More new features

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

Please note that most of the features mentioned on this page are not yet available in version 4.0-4.6 but will be released in later minor updates. These minor updates are free-of-charge for customers of Diamond 4.x.

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.)

Support for disorder parts
(Available since version 4.6.) Functions that connect atoms and search for neighbouring atoms or complete molecules, now consider if and which part the atoms belong to and avoid connection between atoms of different parts. A new list of all disorder parts of the structure in the "Filter" dialog makes it easier to disable atoms from unwanted disorder parts to be considered in building operations like "Fill unit cell" or "Get molecules".

Improved mixed site representation
(Available since version 4.6.) Transparencies of atoms and bonds can now be adjusted to the atoms' site occupation factors each. Single components of mixed sites can now be shown randomly distributed in the structure picture.

Improved recording of structure pictures to create video sequences from
(Available since version 4.5.) The frames of the video sequence recorder are buffered in an image buffer dialog, where you can make changes (for instance omit superfluous frames) before you let Diamond create an AVI video file.

Animated POV-Ray pictures or video sequences from POV-Ray pictures
(Available since version 4.5.) 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.

Export to OBJ and STL format
(Available since version 4.6.) The contents of a structure picture can now be exported as 3D model into the formats OBJ (Wavefront Technologies) and STL (3D Systems).

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