Please note that function list and system requirements refer to the currently available version 2.1e of Diamond.

Functions

• 32 Bit MS Windows application with Multiple Document Interface (MDI), object-oriented menus, toolbars and local popup-menus. Allows 'simultaneous' handling of multiple structures.
  
  Input and Output:
  
• Proprietary binary Diamond Structure File format (DSF) for rapid data access, including chemical and crystallographic as well as bibliographic data. Saves your own built-up and designed frameworks of crystal structures.
• Number of atoms, bonds, polyhedra etc. limited only by RAM.
• Manual input or update of chemical, crystallographic, and bibliographic data.
• Search for chemical, crystallographic, or bibliographic data.
• Automatic import from data formats:
  • CRYSTIN download format created by ICSD or CRYSTMET
  • Cambridge Structural Database FDAT format.
  • Brookhaven Protein Data Bank format.
  • SHELX-93 format.
  • Crystallographic Information File (CIF).
  • XYZ format (free format with cartesian coordinates).
• Export to CIF, SCHAKAL, XYZ and VRML format.
• Snapshot of structure picture as high resolution bitmap or Windows metafile for post-processing (e.g. in a word processor).
• Printing of selected datasets or structure pictures. Textual copy of datasets via Windows clipboard for post-processing.
  
  Construction:
  
• Filling of unit cell, multiple cells, any cell range, or boxes or spheres around selected central atoms.
• Filling of user-defined rectangular areas within the screen.
• Selection of atoms to construct sublattices.
• Discussion of connectivity assisted by histograms showing the distribution of distances between selected atom types, together with automatic calculation and checking of distance ranges.
• Generation of atoms from parameter list serving as initial atoms for building up complex frameworks.
• Completion of coordination spheres around selected atoms.
• Automatic generation of molecules or completion of fragments which has been clipped at cell edges.
• User-controlled dismantling of built-up frameworks.
• Multiple-step Undo and Redo function to enable safe experimentation with even high-complicated and unknown structural frameworks.
  
  Visualization:
  
• Ball-and-stick, wire, and space filling model. Central or parallel projection, depth cueing, and stereo display.
• Photorealistic rendered models with user-defined light source and material properties (OpenGL).
• Variation of colors, styles and radii of atom types and bonds. Labelling of atoms and bonds. User-defined text. Individual design of each single atom is possible.
• Generation of coordination polyhedra (optionally with transparent surfaces).
• Display of thermal ellipsoids.
• Alternative color differentation to visualize oxidation numbers, site occupation factors etc.
• Rotating, shifting, and zooming of structures: numerically, mouse-controlled, or keyboard-controlled. Definition of views along special axes or toward special planes.
  
  Exploration:
  
• Calculation of distances and angles. Measuring of distances, angles, and torsion angles interactively (incl. standard deviations).

System Requirements

• Personal computer with MS Windows® 95/98/ME or MS Windows NT® 4.0/2000/XP
• Processor: i486, Pentium® or higher
• RAM: 16 MByte for Windows 95/98/ME (32 MByte recommended), 32 MByte for Windows NT/2000/XP (64 MByte recommended)
• Minimum graphics resolution of 800x600 / 8-Bit (1024x768 / 16-Bit recommended)
• CD-ROM-Drive
• Hard disk with minimum 20 MB free disk space for program and sample files
• Microsoft compatible mouse