Diamond 4: More new features
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History of the latest viewed and/or edited structure pictures
A new docking window shows you thumbnails of your latest viewed and/or edited structure
pictures. (This is similar to the history of latest visited web sites in your Internet
browser.) This feature can also be used as a kind of flip-flop to change between
two important pictures in your multiple picture document.
Multiple-step Undo and Redo with thumbnails
The commands Undo and Redo can be done now with multiple steps together, assisted by thumbnail
pictures of the previous conditions (drop-down list from the main toolbar).
Full screen view of structure picture
If you want to, stretch the structure picture view to your whole screen and experience
the feeling of typical modelling programs on 1990's UNIX workstations (no toolbars,
no menu, no Windows task bar, etc.).
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.
The following features will follow in versions 4.1, 4.2, etc.:
(These "minor" updates are free-of-charge for users of version 4.0 or later.)
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.
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