This demonstration version will run on both regular (68K) Mac's and PowerMacs - it is a "Fat Binary" program, which contains both 68020 code, and PowerMac-native code. The program will automatically detect what sort of Mac you have, and will run the correct code.
(Note for users with regular Macs: The full commercial CrystalMaker package includes a version optimized for math-coprocessors (FPU) - which runs 2-3 times faster than the non-FPU version included with this demo).
• Launch the demo by double-clicking a crystal document, or dragging a document icon onto the CrystalMaker_DEMO icon — or simply double clicking the CrystalMaker_DEMO icon.
• Problems launching the program?
- If you "unstuff" the program into an open folder, you may get a blank document icon, instead of the CrystalMaker program icon (a picture of a crystal above an "M"). Simply close the folder, then open it again - all should now work.
- If you double-click the application program, and get an error message "The document … could not be opened because the application that created it could not be found", then you need to rebuild your desktop. Restart your Macintosh, holding down the COMMAND and OPTION keys. Click the OK button when the rebuild desktop dialog appears, then try launching the program again.
If the program crashes after launching, there may be a conflict with other programs running, or with control panels/extensions loaded. Try restarting your Macintosh with the SHIFT key held down (this turns the extensions off), then launch CrystalMaker_DEMO again.
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2. Using CrystalMaker Demo
Once you've opened a Crystal file, you can rotate the crystal, resize it, view it in different ways, and edit the atoms and symmetry. Here are some of the main features of CrystalMaker:-
Changing the Model Type
- You can switch between: ball & stick, spacefilling, wireframe, stick, polyhedral or cloud representations of the crystal, by using the Model menu.
- You can change the way models look on-screen by editing the appearance of atoms and bonds using the Atom Types and Bond Types dialogs.
- CrystalMaker allows you great flexibility in the plotting of polyhedra, and you can assign different polyhedral styles to different sites. Polyhedra can have vertex atoms, can be plotted as solid, shaded, or hollow shapes, or you can even mix "ball-and-stick" representations with polyhedral representations - all using the Polyhedral Types dialog. To change a polyhedral style, select the Polyhedral Types dialog from the Model menu. A list of polyhedral sites is displayed; double-click on the site you wish to edit, and select a new polyhedral style from the style palette displayed.
Altering the Plotting Mode. CrystalMaker lets you operate in one of three different modes:-
- in Photo-Colour mode, models are photo-realistically rendered. Crystals are printed as bitmaps (but you can print at the maximum resolution of your printer), so this option consumes the most memory, although it generally looks best on screen. This mode also allows you to use depth cueing - to simulate effects of atmospheric haze, so that the most distant parts of your crystal "fade-out" into the background.
- in Standard Colour and Black & White modes, atoms, bonds and polyhedra may be represented by stylized elements. This mode is best for preparing diagrams for publication, or for handouts.
Use the Rendering menu to switch between different plot modes, and use the Reflectance, Depth Cueing and Illumination Direction commands to customize the appearance of your plot.
Rotating The Crystal:
For Mouse-driven, interactive rotation: click in the graphics window and hold the mouse button down. The cursor changes from an open hand, to a closed hand. Now drag across the screen… The screen behaves as a "virtual trackball":
- to rotate the crystal about the screen X axis (which runs from left to right), drag the mouse vertically up (or down) the screen.
- to rotate the crystal about the screen Y axis (which runs from bottom to top), drag the mouse horizontally across the screen;
- to rotate about the screen Z axis (out of the screen), hold down the SHIFT key on your keyboard, and drag the mouse in a clockwise, or counter-clockwise sense around the edge of the graphics window.
Using the Rotate Dialog: Select Rotate from the View menu (or Rotator from the Windows menu). To rotate about one of the screen axes, through a specific angle, type an angle in the appropriate box, and click the corresponding axis button. Note: you can also use the arrow keys on your keyboard, to rotate your crystal through the increments specified in the Rotator dialog.
Auto-Rotation: Select Rotate from the View menu, and click Auto Rotate. The crystal will rotate continuously, in increments given by the three angles in the Rotator dialog.
Changing the Plot Range
To change the range of atoms displayed, select Set Range… from the View menu, and type in a range of fractional coordinates for the x, y, and z axes.
Getting Information About The Crystal.
The "Info" window lists atoms by element and site, showing their radii, coordination numbers, and colours. To annotate the crystal plot, select Label Atoms from the Embellish menu.
Customizing Your Plot
The Embellish Menu allow you to add features to your plot. You can label specific sites, by selecting the Label Atoms command. You can also define some sites to be "invisible" by using the Show/Hide Atoms command. A unit cell frame can be plotted around the centre-most unit cell, or alternatively, you can mark the current plot limits using coloured back faces, etc.
Using The ToolBar.
The toolbar (on the R.H.S. of the graphics window) contains a number of tools that let you manipulate and edit your crystal. Descriptions about the tools are provided by BALLOON HELP. Turn on balloon help from the "?" menu, click in the toolbar to activate it, and then point at the tool you're interested in.
Getting Help
Use Balloon Help for more information about individual menu commands.
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3. Added Features of the Commercial Version
Compared to your demonstration copy, the full, commercial version of CrystalMaker has a number of added features:-
Flexible data input/output: - will import ICSD, CIF, CSSR, CCL, STRUPLO, MacMolecule and CrystalMaker text files. Easy to create your own text data files for display in CrystalMaker - or edit standard database file output. CrystalMaker can export data to coordinates files, bond data files, CrystalMaker (structural) text files, MacMolecule files.
Printing: Use the Print Preview dialog to specify how you wish your crystal to be printed; add a title, frame, and specify the print resolution.
Export Graphics: copy to the clipboard in vector format (easy to edit in graphics programs), or as high-quality pixel maps. Export graphics as PICT files - either QuickDraw pictures, or pixel maps. You can specify an area expansion for the destination file or clipboard, in order to ensure maximum quality.
QuickTime Video: record QuickTime movies as you work! Ideal for preparing animations for classroom/demonstration use.
QuickTime VR: create self-contained, 3D rotating crystals as QuickTime VR object movies - all at the click of a button: CrystalMaker does the rest!
Optimized for maximum speed on your Mac! - Shipped with three different versions: 020 (runs on all Macs with the mc68020 processor, or later), FPU version (2-3 times faster than the 020 version; requires a Math Coprocessor), native PowerPC version (at least 10 times faster than the 020 version!)
Preferences File: customize your copy of CrystalMaker by saving your favourite settings in a preferences file. At any time, you can switch between your current settings, the default ("factory") settings, or your saved preferences.
Crystal Structures Library: over 300 fully-annotated crystal files - just double-click and display.The library includes inorganic, organic, technological and mineral phases. There are over 200 minerals, including most of the minerals detailed in Deer Howie & Zussman's "Rock Forming Minerals" student edition! Ideal for teaching!
Fully-comprehensive manual. High-quality, printed and bound manual with 220 pages. Includes a step-by-step tutorial, detailed description of the program's features, examples, menu reference, and handy tips on getting the most out of this program.
Technical Support - and special deals on future upgrades.
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4. More About CrystalMaker-2
OVERVIEW
CrystalMaker-2 is an intuitive, user-friendly Macintosh program to display and manipulate all kinds of crystal structures in stunning, photo-realistic colour.
• Optimized for the Mac: CrystalMaker takes full advantage of the Macintosh interface, with floating windows, pull-down menus, dialog boxes, user controls, and balloon help.
• Build Crystals Fast! Defining a crystal is very simple and requires the minimum of information. Ball-and-stick, space-filling, wire-frame, polyhedral, stick and cloud models are immediately available, and can be extensively customized.
• Photo-realistic Displays: In "Photo-Colour" mode, models are photo-realistically rendered. Depth-cueing and perspective can be used to emphasize the 3-d impression.
• Flexible Plot Modes: Additional plot modes are available (in colour, and black-and-white) which are particularly suitable for diagrams in journals or lecture handouts. These feature a variety of polyhedral shaded fill-patterns and atom & bond styles.
• Real-Time Rotation: A major feature of this program is the intuitive click-and-drag real-time rotation of crystal structures. A "rotator" control panel lets you specify precise rotation angles about the screen axes. You may also specify view directions as lattice vectors, or plane normals. At any time you can change the plot range—and display up to 9000 atoms and 2000 polyhedra. You can also zoom in or out, or specify a scale manually.
• Interactive Bond Searching: Information about bonding environments is available on-screen, or may be saved, together with bond angle and nearest-neighbour coordination details, in a text file.
• Copy and Paste Images: Copy and paste crystal plots to other programs., or export images in PICT format, as QuickDraw pictures, for editing in drawing programs.
• Fast Display of Crystal Files: You can save crystals as double-clickable files, for fast re-display.
• Imports text data files: CIF, ICSD, CCL, CSSR, STRUPLO, MacMolecule, CrystalMaker text data files.
• Record QuickTime Movies as your work - user-friendly Video Recorder floating tool panel.
• QuickTime VR output - a unique features! Save crystals as self-contained "object" movies - can be played on QuickTime 2.0 (or later) systems. Permits true, cross-platform portability.
• Crystal Structures Library: CrystalMaker comes with a library of over 300 crystal structures files (including many rock-forming minerals, and technologically-important materials), making it ideal teaching, as well as research.
• GENERATE X-RAY AND NEUTRON DIFFRACTION PATTERNS from your CrystalMaker binary files: CrystalDiffract - this program may be downloaded free over the Internet, or from our WWW site:-
http://www.crystalmaker.co.uk/crystalmaker/
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NEW FEATURES FOR CrystalMaker-2
(compared to previous version 1.1)
• Imports ICSD, CIF, CSSR, CCL text files
• Perspective
• New "stick" model type.
• New "cloud" model type: option of dot-shaded atom surfaces or translucent, rendered spheres. Option of embedding the bonded framework (stick model) inside the "cloud".
• Radically-improved interface: new toolbar, floating windows, enhanced video recorder panel
• Enhanced CrystalMaker text files: flexible input options allow import of molecules and crystal simulation data (e.g., using orthogonal coordinates). Many new control cards permit a complete definition of the final, plotted image.
• Generates QuickTime VR object movies - allow you to distribute cross-platform, self-contained fully-rotating "crystals" in QuickTime format (requires Apple's free QTVRplayer software).
• sphere overlap correction for space-filling models
• unit cell options: atom overlap correction; multiple cells; dashed lines; custom frame colour
• gradient-fill background option
• improved atom shading for black&white / standard colour plots
• molecular fragment removal
• Enhanced crystal structures library: over 300 phases, including over 200 minerals (contains most of the rock-forming minerals listed in Deer Howie & Zussman's student edition!). All crystals are annotated, and have been carefully prepared so as to display the main structural features easily.
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PROGRAM DETAILS
EASE-OF-USE
• Follows the Macintosh Human Interface Guidelines
• Easy entry of crystal structures, either by text file, or within the program in an easy-to use Crystal Editor window.
• Intelligent symmetry operations - just type the spacegroup number, or symbol: accepts international notation, or Schoenflies notation. (You may also edit symmetry directly, by entering the symmetry operators, or "general equivalent positions", allowing you to adapt to highly non-conventional settings).
• Toolbars permit on-screen measurement of bond distances and angles, zoom functions, plot centring, atom "zapper" tool, lasso and polygon tools, label atom tool, etc.
• Easy to edit all aspects of the crystal, including bond specifications and atomic radii, colours and fill-patterns
• Most commands accessed by menu
• Balloon help available.
• Fully customizable, with preferences file.
PLOTTING
• 6 model types - switch between them straight from the menu bar…
• Ball-and-stick models: range of atom and bond styles
• space-filling models with sphere overlap correction
• polyhedral models: plots virtually any polyhedra (maximum of 12 vertices, and no more than 8 vertices per face)
• wireframe models
• Stick models with rendered bond cylinders
• Cloud models: extensive control over plotting using Cloud Options dialog: atoms plotted as dot surfaces or translucent, rendered spheres; variable sphere transparency and radii; option of including stick framework.
• Photo-realistic atom, bond and polyhedral shading
• Depth cueing and Perspective enhance the 3d impression
• Full control over all aspects of illumination: light direction; ambient, diffuse, specular reflection coefficients, etc.
• Additional plot modes in standard colour & black-and-white. These are ideal for diagrams in journals or lecture handouts
• Extensive customization possible - can be recorded in a preferences file.
• Print Preview, with full control over print size and resolution.
CRYSTAL MANIPULATION
• mouse-driven, click-and-drag real-time rotation (can also rotate using arrow keys on the keyboard).
• Rotator control panel lets you enter specific rotation angles about the screen axes
• specify view direction, as either a lattice vector [UVW], or a plane normal (hkl)
• Cursor-key controlled rotation possible
• Transform the crystal by projecting onto any lattice plane - great for analysing crystal surfaces in different orientations.
• Create surface defects using the atom zapper tool
• Select groups of atoms or lattice planes using the Lasso tool
• Display local atom clusters
• Auto-rotation mode
STRUCTURE INVESTIGATION
• "Info Window" displays atom colours, names and bonding environment
• Scrolling output window displays results of bond searches, site environment, polyhedral volumes, etc.
• Label specific crystallographic sites by name, chemical element, z-coordinate, or atom number
• Measure bond distances and angles on screen: select the bond distance or angle tool from the toolbar, and just click on the relevant atoms.
• Bond search facility available at any time, to display local environments around specified atoms.
• Automatically calculates errors in bond lengths, given errors in structural parameters (full error propagation)
• Output to a "bonds" file includes: full listing of all atoms in the unit cell (fractional & orthogonal coordinates), bond distances & angles around each atom in the asymmetric unit; list of bonded atoms in the select range.
INPUT/OUTPUT
• imports: ICSD, CIF, CCL, CSSR, STRUPLO, MacMolecule data files
• highly-flexible CrystalMaker text format:
- extensive control cards allow precise defintion of the final plot.
- multi-line notes
- atom type and structural information, including error values
• import results of crystal simulations; crystal clusters, etc. - up to 9000 atoms now available!
• Save output as double-clickable text, or high-performance binary files.
• Copy crystal images to the clipboard, to be pasted into graphics programs, or some word-processing programs.
• Export images as PICT files: either high-resolution pixel images, or as QuickDraw pictures, which can be edited in drawing programs such as Canvas, MacDraw, Illustrator, etc.
• Record QuickTime Movies while you work! Pre-record "fly-throughs" for your students, transformations (will play back on any Mac with the QuickTime extension and a suitable movie player, e.g., SimpleText, MoviePlayer, etc — QuickTime also available on Microsoft Windows.)
• Unique feature: generates QuickTime VR object movies. Record your crystals in this exciting new, cross-platform format. Self-contained VR movies provide lightning-fast, full 3D rotation of your plots.
SYSTEM REQUIREMENTS
CrystalMaker is shipped with THREE different versions, optimized for different processors:-
(1) 020 version: runs on any Macintosh with 68020 processor, or later (e.g., SE/30, LCII, Centris, Quadra, Performa, PowerMac, etc.). Program requires 2-3 MB RAM, depending on your screen size and colour depth.
(2) 020FPU version: runs on all Macs with at least a 68020 processor, and a Math-coprocessor (FPU). This version is two-to-three times faster than the 020 version. Program requires 2-3 MB RAM, depending on your screen size and colour depth.
(3) PowerPC version: this version is around 10 times faster than the 020 version! Program requires 3-5 MB RAM, depending on your screen size and colour depth.
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AVAILABILITY
CrystalMaker is sold by:-
Cambridge University Technical Services Ltd. (C.U.T.S.)
20 Trumpington Street. Cambridge, CB2 1QA
UK
Tel.: +44 1223 - 334755
Fax.: +44 1223 - 332797
E-mail: sjm21@cus.cam.ac.uk
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PRICES
CrystalMaker-2 Pricing Details
SINGLE-USER LICENCE
Standard Price: GBP275 (USD400) Academic Price: GBP175 (USD275)
Price includes: PowerPC, FPU and non-FPU program versions; comprehensive crystal structures library; examples files; 220-page lavishly-illustrated printed and bound user's guide.
10-user GROUP LICENCE
Standard Price: GBP650 (USD1000) Academic Price: GBP450 (USD700)
20-user GROUP LICENCE
Standard Price: GBP1000 (USD1500) Academic Price: GBP650 (USD1000)
Price includes: as above; plus extra copies of the user's guide.
Additional printed user's guides are available, priced at GBP15 (USD25) each.
[GBP = Pounds Sterling; USD = U.S. Dollars]
These prices exclude VAT and shipping costs. C.U.T.S. will accept payment by purchase order (including fax).
Prices are correct at time of publication (July 1996), but are subject to periodic revision. Call for latest details.
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DEMONSTRATION VERSIONS
We encourage you to experiment with the demonstration version of CrystalMaker. Download it from the 'web:-
In addition, this web site contains information about CrystalMaker, plus demonstration graphics and the CrystalDiffract software plus QuickTime and QuickTime VR movies to download
Alternatively, you can download CrystalMaker demo and CrystalDiffract via anonymous ftp from:-
NOTE: Many internet archives contain older versions of the CrystalMaker and CrystalDiffract software. For the most up-to-date program versions, use our WWW site.
