The following gives you an overview of the new features of Diamond version 4 - as compared with version 3.x. Please note that some functions will be (or have been)
released in minor updates 4.1, 4.2 etc. These minor updates are free-of-charge for customers
of Diamond 4.x. For a list of new functions and their planned releases, check the
"New functions" table.
Start the feature tour here - or directly step to the features you are interested
in via the links below.
>> Start feature tour >>
batch structure picture creation:
See the new "Auto Picture Creator" docking pane
that automatically applies changes in building options, picture design and viewing
direction directly to the structure picture, and the new "design schemes"
that serve as a kind of style sheets that let you easily convert your structure
picture for presentation or publication.
Read about the new working modes in Diamond 4, the "Grab mode"
for more intuitive rotation, shifting or zooming during exploration of a crystal
or molecular structure, the "Neighbouring preview" of atoms and
molecules around the atom (bond, molecule) under mouse cursor, with several options
to use the mouse wheel to change properties (enlargement factor, zoom in/out, change
atom radii) or to change surroundings (blow up polyhedra, expand molecule cluster,
etc.) ("Mouse wheeling").
Extended functionality for molecules and polymers:
Get an overview of the several options to create a packing diagram
(cell range, sphere, slab, or slice of molecules), about the support of non-bonding
contacts and the improved handling of H-bonds. And
there are several new functions to be applied on big molecules or organic and inorganic
polymers as well (expansion of molecular clusters, growing
or cutting of polymeric frameworks, pumping up of
New polyhedron functions:
The "Atomic environment" of an atom site each serves as new optional
criterion to define the coordination polyhedron's atoms (or a coordination sphere).
There will be several functions to construct polyhedra with rather complicated geometry,
such as construction from atoms or bonds,
combination or splitting of polyhedron faces by clicking, copy and
paste of polyhedra between atoms of same site. And see how Voronoi
polyhedra are constructed.
Searching for structure
Read about access to the crystal structure database COD ("Crystallography Open Database") including
AMCSD ("American Mineralogist Crystal Structure Database")
as well as CIF files from the
Improved user interface:
See the new or improved user interface elements that allow a better integration
and correlation of the different views (structure picture, tables, powder pattern,
etc.). Read about enhanced possibilities to preview, resize, and arrange structure
picture thumbnails, about color coding of structural
parameter sets, the new docking windows "Recent Pictures", "Undo
Buffer", and "Video Sequence Buffer", the new "Atom
list" data pane, the table of created molecules,
and the possibility to view your structure picture in full screen view.
More new features:
Animated POV-Ray pictures or video sequences from POV-Ray pictures,
user-defined symmetry and visualization of symmetry elements,
bond valences, and calculation of powder pattern using Debye
formula to come in minor updates 4.2, 4.3, or 4.4.
Features already available since Diamond version 3
To read about more features that are not new in version 4 but were introduced with
the previous version 3, please follow this link:
Go To Diamond Version 3 Feature Tour...