Diamond Version 4 Preview

In autumn 2010, the long expected next version of Diamond, our software for crystal and molecular structure visualization, will become available. Please find a list of the new features and enhanced functions below this early-state Diamond 4 screen shot.

Improved user interface:
- Better integration and correlation of the different views (structure picture, tables, powder pattern, etc.).
- Editing of a structure picture side-by-side with the other pictures' thumbnails in a multiple picture document.
- Enhanced possibilities to preview, resize, and arrange structure picture thumbnails.
- Powder pattern, data sheet (configurable), and distances table beneath structure picture graphics with enhanced correlation possibilities (e.g. distances around atoms currently selected in structure pictures).
- Hierarchical list of atom groups, atom sites, and created atoms of structure picture, e.g. to edit properties and designs or to select from.

Enhanced productivity:
- New mode for much more intuitive exploration of a crystal or molecular structure and to preview neighbouring atoms and molecules.
- Improved evaluation of bonding spheres (connectivity).
- Determination of atom site environments basing upon Dirichlet domains (Voronoi polyhedra).
- Enhanced automatic structure picture creation.
- Definition and application of design schemes.
- Improved building schemes (earlier called "Auto-Build").
- Acceleration of structure picture drawing. Anti-aliasing.
- Improved selection of objects from the structure picture.

Extended functionality for molecules:
- Enhanced functions to complete and find molecules and to create packing diagrams.
- Non-bonding contacts and improved handling of H-bonds.

New polyhedron functions:
- Copy and paste of polyhedra between atoms of same site.
- Construction from bonds. Combination or splitting of faces by clicking.
- Creation of Voronoi polyhedra.

Searching for structure data:
- Access to the crystal structure databases AMCSD ("American Mineralogist Crystal Structure Database") and COD ("Crystallography Open Database") as well as to CIF files from the IUCr journals.
- Small database of most frequent (inorganic) structure types, e.g. for "New Structure" function.
- Improved searching of Diamond documents and structure files on your hard disk.

More new features:
- History of the latest viewed and/or edited structure pictures.
- Undo/Redo can be done now with multiple steps together, assisted by thumbnail pictures of the previous conditions.
- Full screen view of structure picture.
- Start page mit news channel and thumbnails of recently viewed structure pictures.
- More design properties of atoms and bonds. Atom design can be assigned to individual sites.
- Several options to use the mouse wheel (enlargement factor, zoom in/out, change atom radii, blow up polyhedra, etc.).
- Improved recording of structure pictures to create video sequences from.
- Animated POV-Ray pictures or video sequences from POV-Ray pictures.
- User-defined symmetry. Visualization of symmetry elements.
- Bond valences.
- Optional calculation of powder pattern using Debye formula basing upon the atoms currently present in the structure picture.

How to update to version 4
As usual, customers who purchase the current version within six months before the release of version 4.0 will be entitled to update free-of-charge. Customers who already use the current version will be offered an update to the new version at significantly reduced price.