CrystalMaker

CrystalMaker
Product Overview
November 2010
New
CrystalMaker 8.3
for Mac
CrystalMaker 2.3
for Windows
Product Overview
CrystalMaker
Contents
Page 3
CrystalMaker
The CrystalMaker Advantage
What’s New in CrystalMaker
Page 8
A Seamless Workflow
Automatic Detection of File Formats
Support for multi-structure text files
Flexible interface for single and multi-structure working
Animated Views with movie output
Wide-ranging data export options
Video recording
Automatic generation of QTVR objects
Outstanding, high-resolution graphics export
Page 13
Outstanding Display
Easy structure building
Built-in model types
Customizable model options
Element colours and radius tables
Bond and polyhedra generation
Molecular crystal tools
Customizable rendering options
Depth profiling for massive/dense structures
Page 17
Fully-Interactive
Extensive range of screen tools
Instantly hide/show groups of atoms
Molecule–Crystal conversion
Place different structures into same model
Easy surface/slab creation
Supercell generation
Page 20
Operating System Integration
Mac System Integration
Windows System Integration
Page 24
Diffraction Support
CrystalDiffract Features
SingleCrystal Features
Page 29
Resources
Page 30
Technical Specifications
This overview covers both CrystalMaker for Mac (version 8.3) and CrystalMaker for Windows
(version 2.3). Whilst the majority of the screenshots are for the Mac version, both programs
share the same feature set, albeit with different interfaces, tuned for their respective
operating systems.
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Product Overview
CrystalMaker
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CrystalMaker
Interactive Crystal Structures Visualization
CrystalMaker is a program for building, displaying and manipulating all kinds of
crystal and molecular structures. Featuring spectacular photo-realistic graphics and
breathtaking 3D visualization, CrystalMaker excels at publication-quality graphics,
without sacrificing ease-of-use.
The program has been designed around a clean and elegant user interface that’s
both visually engaging, and easy to use. Screen tools provide real-time structure
rotation, scaling, selection and measurement, whilst the Overview window lets you
browse multiple structures, keep track of your undo states, or assemble multi-frame
animations.
CrystalMaker is your vehicle for exploration and discovery in the crystalline world
Whatever your area of science, CrystalMaker will engage your attention and excite
your imagination.
Product Overview
CrystalMaker
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The CrystalMaker Advantage
A Seamless Workflow
CrystalMaker can automatically detect and load datafiles from the world’s major
databases, plus key formats such as CIF, Chem3D, GSAS and SHELX. CrystalMaker also
provides its own, easy-to-use text format, which is ideal when you want to automate
data handling.
As easy as drag-and-drop
Just drag-and-drop any supported data
files into CrystalMaker for immediate
display in the Files pane or Graphics
window.
The seamless data loading is matched by
powerful data export: ideal for sharing data with
coworkers, or running the software in parallel
with simulation programs.
If you need to build your own structure from
scratch, you can do this right in the program,
with easy-to-use crystal and molecule data
editors, built-in spacegroup and symmetry
handling, and automatic bond/polyhedra
generation.
Ball-and-stick, space-filling, wire-frame, stick,
polyhedral and thermal-ellipsoid models are immediately available—and can be
extensively customized.
It’s in black and white
As an alternative to photo-realistic
graphics, stylized “line art” graphics
provide ideal output for figures in many
journals.
CrystalMaker’s unique user interface lets you transcend static structures and work
with dynamical properties: browsing multiple structures or views in the same
window, animating phase transitions or chemical reactions, with the option of fullscreen viewing and automatic movie output. A new Synchronize command lets you
achieve consistent results across multiple structures.
Outstanding Display
CrystalMaker features photo-realistic graphics with depth fading, perspective and
extensive control over rendering settings. Enjoy spectacular “out-of-screen” 3D
stereo, using the supplied red/blue stereo glasses. Simpler “line art” model styles—
ideal for technical publications—are also available.
High-resolution graphics can be
exported, at user-defined size/resolution,
to a wide range of formats, including
JPEG, TIFF, BMP and PNG.
Crystal engineering
Take advantage of CrystalMaker’s
flexible “molecule mode” to design new
structures.
Both Mac and PC versions let you record
QuickTime movies as you work, with full
control over frame rates and compression
settings. There is also fully-automatic
generation of QuickTime VR objects
(ideal for multimedia presentations).
Product Overview
CrystalMaker
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Fully-Interactive
CrystalMaker includes real-time manipulation, molecular isolation tools and the
ability to edit and design new structures: move, detach, duplicate, hide, delete
groups of atoms; hide or repair molecular fragments; display lattice planes in any
orientation; slice the crystal to investigate surfaces or internal planes.
CrystalMaker lets you combine
two or more structures in the same
window, e.g., placing a molecule on
a crystal surface, or investigating
grain boundaries in an alloy.
Visualize massive structures
With virtually unlimited atoms, bonds
and polyhedra, you can at last visualize
results from latest-generation computer
simulations.
New features include molecule-tocrystal conversion and supercell
generation: ideal for subsequent
diffraction or modelling studies.
Operating System Integration
CrystalMaker is a cross-platform application, designed without compromise for the
best performance and user experience on your choice of system: Mac or Windows.
Whilst rival software has come and gone, we’ve been at the forefront of Mac
scientific software for 14 years. Our Windows version, first launched in 2005, builds
on our experience of user-centric software design, backed by solid scientific
expertise—and leveraging the very-latest XP and Vista system technologies.
Diffraction Support
CrystalMaker is designed to work with our diffraction software: visualize a crystal
structure in one window, then with a single menu command, simulate its diffraction
properties.
Optimized molecular crystals
The Optimize Range commands make it
easy to get just the right view of intact
molecules in a molecular crystal.
CrystalDiffract provides powerful
x-ray or neutron powder pattern
simulation, with the option of multipattern viewing, mixture simulation
and direct comparison with
observed data.
Real-time parameter control gives
you unprecedented power and
flexibility: ideal for research and
teaching applications.
SingleCrystal provides display of
reciprocal lattice sections, simulation
of transmission electron diffraction patterns, and advanced stereographic
projections. Featuring real-time tilt control, screen tools and extensive data and
graphics export options, SingleCrystal brings diffraction firmly into the 21st century!
Resources
CrystalMaker includes a library with over 600 structures: edited, annotated and
ready for immediate display. Additional resources include movies, VR objects, online
help and user’s guide (with tutorial) , plus a vast array of online resources.
Explore diffraction space
With SingleCrystal you can display
stereographic projections, reciprocal
lattice sections and simulate electron
diffraction patterns.
Last, but not least, we are proud of our reputation for the very best technical
support: free for the duration of your licence, and backed up by regular, free
incremental program updates.
In summary, CrystalMaker is your first-class ticket to the crystalline world.
Product Overview
CrystalMaker
6
What’s New in CrystalMaker
CrystalMaker 8 for Mac (and the co-released CrystalMaker 2 for Windows)
represents our biggest upgrade yet, with over 100 new features. The new program
offers major new functionality, faster performance, and greatly-improved workflow.
Seamless Workflow
CrystalMaker’s interface has been streamlined to enhance workflow and provide
seamless multi-structure browsing/animation.
• Window toolbar. An optional toolbar provides shortcuts for important commands.
Three default layouts are available, and can be extensively customized.
• Extended Overview. The Overview Window provides drag-and-drop access to
window views (which can be reordered, renamed, and updated), file favourites and
undo states. Other options include full-screen “kiosk mode” and movie output.
• Synchronize windows and views. Multiple structures, displayed in separate windows
or View thumbnails, can now be synchronized to match the frontmost structure. A
new dialog lets you choose which specific settings to synchronize.
• Multi-structure animation. Effortlessly browse through structure sequences imported
from CIF or PDB files; compare adjacent “frames” with a press of the arrow key, and
save an animation with a single menu command. This is a great way to analyse
structural changes and phase transitions!
• Full-screen working. In Full Screen mode your structure is automatically zoomed to
fill the screen, hiding unnecessary controls. Automatic menu bar and dock hiding is
enabled, and you can summon up the appropriate palette windows to access the
full range of tools, as needed.
• Faster, more powerful text handling. Text file import is dramatically faster. Multistructure files are now loaded in the same window, with View thumbnails. PDB
support now extends to crystals, with full connectivity data export.
• New file formats supported. Four new file formats have been added, bringing the
total to 15. The new formats are: ATOMS, GSAS (“.exp” files), MDL-Molfile and SDfile.
• Access to online crystal structures. A new menu command takes you directly to the
CrystalMaker Crystal Search web page, allowing you access to some of the world’s
most comprehensive (and free!) crystal structures databases.
Outstanding Display
We’ve worked with our users to deliver new and improved display features including
editable thermal ellipsoids, greater customization for atoms, intelligent auto
labelling and much more.
• Edit thermal ellipsoids. Isotropic and/or anisotropic displacement parameters can
now be edited using a completely-revised Edit Crystal window.
• Thermal ellipsoid sphere override. Thermal ellipsoid display can now be disabled for
specific sites (usually hydrogen atoms), with small spheres (of user-defined size)
displayed instead.
• New spacegroups supported. Unconventional monoclinic and orthorhombic
spacegroups are now recognized, and supported, by the Edit Crystal window.
• Automatic label placement. CrystalMaker now gives you the option of manual or
automatic label placement. In automatic mode, labels are positioned so as to
minimize the chance of overlap with bonds—and you can opt to have the label text
scaled as the structure is zoomed.
Product Overview
CrystalMaker
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• Labels-to-textboxes conversion. Selected atom labels can be converted into static
textboxes, which can then be edited and moved freely—ideal for final output.
• Customize ball-and-stick sizes. We have opened up the program to allow user-defined
relative- and minimum sphere radii for use in ball-and-stick and polyhedral plots.
Interactive Control
CrystalMaker makes it even easier for you to interact with your structure, including
automatic plot scaling, fast view selection and easier range settings.
• Fast view selection. The Set View Direction window now provides quick-view buttons
for commonly-used view directions.
• Live diffraction pattern rotation. Rotate a crystal structure in CrystalMaker and
observe its diffraction pattern rotate in SingleCrystal—and vice versa.
• Intelligent auto scaling. A new display mode adapts to changing plot size by
automatically scaling the structure, letting you switch in and out of full-screen or
kiosk modes, and providing smooth replotting as the window is resized.
• Easier range settings. The Plot Range window has new buttons to display a single
unit cell’s contents and to add integral numbers of unit cells along specific axes.
• Supercells. Multiple unit cells can be merged into a single unit cell, thanks to the new
Supercell command. This is especially useful when attempting to generate input for
computer simulation studies.
• Convert molecules to crystals. Convert aperiodic molecular data into periodic,
crystallographic data. Ideal for working with computer simulations where tiling is
required, or for simulating diffraction patterns from molecular data.
• Discard Symmetry command. This command is useful when preparing input for
computer simulation work, transforming your crystal’s spacegroup symmetry to P 1
whilst retaining the existing cell contents.
• New Selection Commands. New commands to select textboxes, vectors or all objects
have been added to the Selection menu.
• List atom types command. The chemical composition of the currently-displayed
model can be printed, broken down into numbers of atoms of each element type.
Operating System Integration
CrystalMaker 8 for Mac is designed to run natively on the latest versions of
Mac OS X, 10.4 “Tiger” ,10.5 “Leopard” and 10.6 “Snow Leopard”. This universal binary
application delivers optimum performance on both PowerPC & Intel processors.
• Spotlight. CrystalMaker 8 includes full support for Spotlight, the advanced Mac
search utility, letting you find your files by chemical composition, spacegroup, crystal
system, cell parameters, density, and other crystallographic criteria.
• Cover Flow & Quick Look. Instantly view the contents of your CrystalMaker binary
files. Browse high-resolution previews in the Finder’s Cover Flow mode, and use
thumbnail icons in other Finder modes.
• Spell Checking (Mac). The notes pane of the Graphics window now gives the option
of automatic spell checking as you type.
• Fonts Panel. The Notes pane of the Graphics window now supports the Mac OS X
Font Panel. This replaces the Text menu used in earlier versions of the program.
• Handy User’s Guide. The full edition of the CrystalMaker’s User’s Guide is now
available directly from the Help menu, for easy access as you work.
Product Overview
CrystalMaker
A Seamless Workflow
CrystalMaker is designed to provide the most-effective workflow for a wide range
of crystallographic needs. This includes data import, structure building, bonding,
manipulation, as well as graphics and video export.
Key features include:
• Auto-detection of major file formats
• Support for multi-structure CIF, PDB, SDfile & XYZ files
• Flexible interface for single and multi-structure working
• Animated Views with movie output
• Wide-ranging data export options
• Video recording
• Automatic generation of QuickTime Virtual Reality (QTVR) objects
• Outstanding, high-resolution graphics export
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Product Overview
CrystalMaker
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Automatic Detection of File Formats
Unlike most other programs, CrystalMaker can auto-detect file formats: you
don’t have to tell the program what format your file is in, or use tortuous import
procedures; just drag-and-drop the file into the program, or use the program’s open
command, and get to work right away.
CrystalMaker can auto-detect and load the following file formats:
• ATOMS
• CCL
• Chem3D Cartesian
• CIF
• CMTX (CrystalMaker text format)
• CSSR
• FDAT (Cambridge Structures Database)
• GSAS
• ICSD (Inorganic Crystal Structures Database)
• MacMolecule 1
• Molfile
• PDB (Protein Data Bank)
• SDfile
• SHELX
• Struplo
• XYZ
Drag-and-drop for quick viewing
CrystalMaker’s automatic format
detection means you can quickly get
to work with a wide range of text files.
When loading text files, bonds and polyhedra can be automatically generated—but
you always have the option of customizing this later, via the Edit Bonding and Model
Options windows.
Support for multi-structure text files
Multi-structure text files (e.g., CIF, PDB, SDfile, XYZ) are processed in a veryconvenient and efficient way: each “sub-structure” is loaded, in the same window, as
a separate View. All views are displayed, as thumbnails, in the Views palette, allowing
you to seamlessly browse through multiple datasets, rearrange their order, create
animations, slideshows, and output the results as a QuickTime movie.
Managing Your Views
Switch between multiple structures
in full-screen mode, or tidy your
multi-window layouts. Custom views
can be created and synchronized.
Flexible interface for single and multi-structure working
CrystalMaker gives you the flexibility to work with multiple structures, in different
windows—or browse a range of structures in the same window, via thumbnails in
the Files pane of the Overview window.
Powerful Synchronize commands make working with multiple structures—or
different views of the structure—a breeze. Just set your preferred display options in
one window, then choose the Synchronize command, to apply your settings to the
other windows or views.
You can even place one structure inside another, via the Place Molecule command:
ideal for visualizing molecules on crystal surfaces, modelling interfaces, or depicting
species within zeolite pores.
Product Overview
CrystalMaker
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Animated Views with movie output
CrystalMaker is unique in providing multiple, graphical undo levels, plus custom
Views—for each structure. Views are convenient “bookmarks” for particular stages
of your work; just click the Snapshot button to create a new View—it will be
displayed, with a thumbnail icon, in the Views pane of the Overview window.
The Views pane lets you organize your thumbnails (just drag-and-drop), rename
them, and update any View to match the current display. Just click on a thumbnail to
display it as an interactive model, or use the arrow keys to browse adjacent views.
The Views pane is ideal for assembling the frames of a movie or animation. Use
the new Play command to display an animation full screen, in “Kiosk” mode. The
new Save as Movie command lets you output your chosen view sequence as a
movie: ideal for use on the web, in presentations, or simply to emphasize structural
behaviour, as shown below.
Wide-ranging data export options
CrystalMaker has a wide range of data export options, letting you easily share files in
text format, generate input for other programs, or simply list coordinates and bond
distances for a particular structure.
Export file formats include:
• Bond data (structural listing with distances and angles)
• Coordinates
• Coordination groups
• Chem3D cartesian
• CIF
• CMTX (CrystalMaker text format)
• HTML (web page summary, with picture)
• MacMolecule 1
• PDB
• XYZ
CrystalMaker’s own text format is easy to read and includes detailed options for
customizing the final plot. This is ideal if you need to computer-generate a sequence
of structures with defined display settings.
Product Overview
CrystalMaker
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Video recording
CrystalMaker has advanced support for digital video recording, giving you complete
control over frame rates, video compression, output size and quality.
Control the video
Use the handy Video Recorder palette
to make movies whenever you want.
The Video Recorder palette lets you customize your movie settings and control the
subsequent recording. As you work, your manipulations are recorded as separate
frames and you can pause the recording at any time.
Another great way of recording movies is to assemble your frames, ahead of time,
in the Views pane. That way you can sort through the frames you want to keep,
rearrange them, and then save the entire collection as a QuickTime movie, using the
new Save as Movie command.
Automatic generation of QTVR objects
QuickTime VR is a great way of providing self-contained fully-rotatable threedimensional models. These can be embedded within web pages, presentations, or
multimedia packages—any software, in fact, that supports embedded QuickTime
movies.
Industry standard
CrystalMaker supports the industry
standard for digital video, QuickTime.
The great advantage of QTVR is that it lets educators and multimedia authors focus
on their content delivery, without getting side-tracked by complicated program
interfaces, browser plug-ins, or other unnecessary details.
CrystalMaker is the only program of its kind to produce fully-customizable
QuickTime Virtual Reality (QTVR) objects for crystals and molecules. Simply choose
the initial orientation for your crystal or molecule, toggle the Video Recorder into
“VR mode”, then click the Record button to begin. You can customize the extent
of 3D rotation (as well as the usual video output settings), then let the program
automatically generate your VR movie.
Product Overview
CrystalMaker
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Outstanding, high-resolution graphics export
CrystalMaker uses its own graphics engine that is optimized to provide both
outstanding on-screen display and ultra-high-resolution graphics export: a
combination sadly lacking in a number of other programs which rely on video cards
designed for computer games at screen resolution.
With CrystalMaker, you can choose your output size, resolution, and format. For
example, perhaps you’d like to output an A3 (17” x 11.5”) TIFF image at 600 dpi. Or
maybe you’d prefer JPEG, PNG, Photoshop, PICT (Mac) or other formats? Simply
choose your output format using the popup format menu in the File dialog.
Pixel perfect
Export high-quality photo-rendered
graphics at your chosen output size
and resolution.
You have the option of including background art, with your structure superimposed.
Windows users can opt to use transparent backgrounds (these work best in PNG
format). Mac users can export certain types of models using Vector-based PICT
graphics, although for best results with third-party programs we recommend using
our high-resolution pixel-based graphics.
Product Overview
CrystalMaker
Outstanding Display
CrystalMaker gives you the flexibility to build all kinds of crystal and molecular
structures, with extensive control over the range of atoms shown, bonding,
colouring, display styles and graphics rendering.
Key features include:
• Easy structure building
• Built-in model types
• Customizable model options
• Element colours and radius tables
• Bond and polyhedra generation
• Molecular crystal tools
• Customizable rendering options
• Depth profiling for massive/dense structures
• Real 3D viewing in colour
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Product Overview
CrystalMaker
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Easy structure building
CrystalMaker enables you to build even the most complex crystal or molecular
structures, quickly and easily, with only the minimum of data required to build
massive structures.
User-friendly data editors feature built-in spacegroup and symmetry handling: you
can browse conventional and unconventional spacegroups, using the Spacegroup
Browser, customize symmetry settings, then enter the minimum crystallographic
information. CrystalMaker does the rest, building your crystal structure, applying
your colour/radius presets, and displaying as much of the structure as you wish.
Browse Spacegroups
All conventional (and many
unconventional) spacegroups can be
chosen from the Spacegroup Browser.
Built-in model types
Unlike other programs, CrystalMaker lets you build and save each structure with
more than one model type. Ball-and-stick, space-filling, wire-frame, stick, polyhedral,
and thermal ellipsoid model types are immediately available and you can switch
between them with a quick menu command. Each model can be extensively
customized, and its settings saved with the structure in a CrystalMaker binary file.
Customizable model options
CrystalMaker provides extensive control over all aspects of your model’s display and
rendering. You can edit settings on the basis of a selection (e.g., atom sphere colours
and styles), or globally, by chemical element and/or crystallographic site.
The Model Options window lets you control the default settings for your structure,
such as atom sphere, ellipsoid and polyhedral styles, bond styles and colours, surface
and unit cell options, etc. You can also set these as your defaults for new structures,
via the window’s Save button.
Polyhedra plus
Polyhedral models provide extensive
customization, with combinations of
other model elements.
Element colours and radius tables
CrystalMaker comes with at least 8 pre-set tables of element colours and radii,
covering all common structure/bonding types, including ionic and covalent
structures. You can choose whichever table best fits your needs, or customize an
element set, via the Element Editor.
Colour coordinated
Use the Site Browser to set atom
colours, radii, visibility and labelling,
on a site or element basis.
You can easily tweak a particular structure’s colours and atomic radii using the Site
Browser. Alternatively, just select one or more atoms in your model and use the
Selection menu to change their attributes.
Product Overview
CrystalMaker
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Bond and polyhedra generation
Bonds can be generated automatically, using atom radius criteria, but you can fine
tune, or override this using the Edit Bonding window (which also lets you preview
coordination environments).
Detailed information about interatomic distances is provided by the List Bonds
command, which prints detailed tables or histograms in the program’s Log.
Bond previews
Use the Edit Bonding window to
define bonding criteria, with instant
coordination previews.
Polyhedra—of any size or convex shape—are automatically generated during
the bond search. Polyhedra are automatically shown for sites with the highest
coordination numbers, and this can be edited using the Model Options window.
Molecular crystal tools
Working with molecular crystals can be tedious, particularly if one wishes to isolate
a single molecule from a complex structure, and that molecule happens to straddle
the unit cell boundary…
Fortunately, CrystalMaker’s Optimize Range commands come to the rescue. You can
display the optimum unit cell view, with fully-intact molecules, instantly. You can also
opt to repair or hide molecular fragments—and of course the Selection tools let you
hide any extraneous atoms without them being deleted.
Custom polyhedra
Generate polyhedra automatically,
or build your own using the Make
Polyhedron command.
Customizable rendering options
Rendering options can be applied to spheres, bonds, polyhedra and surfaces, using
an advanced “Phong” illumination model. Whereas other programs rely on crude
polygons to approximate spheres, CrystalMaker renders them pixel perfect, with
spectacular photo-realistic shading.
Translucent atoms
CrystalMaker lets you display
translucent atoms and surface
overlays.
Product Overview
CrystalMaker
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Depth profiling for massive/dense structures
CrystalMaker provides a unique solution to the problems of visualizing massive
or dense structures. With our Depth Profiling feature, distant atoms are faded out,
and foreground atoms made translucent, thereby letting you see right inside your
structure to a specified depth.
A special depth control lets you choose, or edit, a depth profile function, which you
can then apply to the current structure. With the Live Update option enabled, you
can click-and-drag a slider control to tunnel through your material in real time. This
is ideal for:
• Seeing inside dense materials
• Rapidly scanning a block of simulated structure
• Understanding how surface structures vary with depth
Real 3D viewing in colour
CrystalMaker provides real-time 3D viewing, with a choice of stereo-pair or “redblue” modes. In “red-blue” you can choose between the traditional greyscale display
or a new colour mode, for breathtaking “out-of-the-screen” visualization.
3D that really works
CrystalMaker provides spectacular
“out-of-the-screen” 3D viewing—in
colour!
Unlike other software, CrystalMaker’s colour 3D viewing runs in real time without
expensive, proprietary video cards or clunky electronic viewing glasses. Just slip
on a pair of lightweight (and very inexpensive) red/blue spectacles (easily fits over
prescription spectacles) for an instant and truly spectacular experience. Even better,
the 3D images can be projected using a standard video projector, so your colleagues
and students can enjoy the experience too!
Product Overview
CrystalMaker
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Fully-Interactive
CrystalMaker is unique in providing a fully-interactive and immersive environment,
designed to let you manipulate your structures in the most intuitive manner. The
floating Tools palette gives easy access to screen tools in both standard and fullscreen modes, allowing you to customize selected regions of your structure, place
molecules, create surfaces and engineer new materials.
Key features include:
• Extensive range of screen tools
• Instantly hide/show groups of atoms
• Molecule–Crystal conversion
• Place different structures into same model
• Easy surface/slab creation
• Supercell generation
Product Overview
CrystalMaker
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Extensive range of screen tools
CrystalMaker’s floating Tools palette provides a wide range of tools for manipulating,
measuring and editing a structure.
The Rotate tool lets you rotate and zoom a structure in real time; other commands
are available to selectively scale or move (translate) the model. Selection tools
provide single-click (Arrow), drag-select (rectangle), and region selection (polygon
and lasso tools).
Atom info
Use the Atom Info tool to identify
clicked atoms, with the option of
bond data printed in the program
Log.
Measurement tools include:
• Atom info
• Distance (3D and 2D options)
• Angle (3D and 2D)
• Torsion Angle
• Lattice plane
Instantly hide/show groups of atoms
You can easily tweak your display by selectively hiding atoms on the basis of their
position (selection tools), chemical element or site type. The Zapper and selection
tools let you hide specific atoms, perhaps to hide under-bonded atoms at the edge
of a model, or to emphasize a specific structural group, as illustrated below.
You can also use the Site Browser’s Visibility checkboxes to toggle all atoms of a
particular element (e.g., oxygen) on or off, or to show or hide specific sites. This is
helpful when working with complex structures, as it allows you to “see the wood for
the trees”.
Molecule–Crystal conversion
CrystalMaker works in one of two possible modes for any particular structure. The
usual, “crystal” mode, relates the current display to an underlying crystallographic
basis, with spacegroup symmetry and lattice translations. In “molecule” mode, the
crystallographic information is discarded, and one instead deals with an isolated
group of atoms in space.
Sometimes it is useful to be able to break the crystal symmetry, especially when
dealing with defect structures, or when you wish to combine multiple structures in
the same display. You can use the Crystal-to-Molecule command to accomplish this.
Crystal engineering
Take advantage of “molecule mode” to
design new structures.
The reverse is also now possible: converting an isolated block of material (e.g., the
output from a computer modelling calculation) into a regularly-tiled lattice, via the
Molecule-to-Crystal command. This has the useful side effect of allowing you to
simulate diffraction properties for the new crystalline material.
Product Overview
CrystalMaker
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Place different structures into same model
In “molecule” mode, you can combine different structures into the same model,
via the Place Molecule command. This is an excellent way of visualizing domain
boundaries in alloys and placing molecules on crystal surfaces or inside zeolite
channels. You can repeat this process as many times as you like, building up complex
assemblages of materials.
Individually-placed “molecules” can, if they are self-bonded, be independently
manipulated, via the Selection tools and the Rotate Selection mode.
Boundary control
Use the Place Molecule command
to create oriented intergrowths or
domain boundaries.
Easy surface/slab creation
CrystalMaker lets you create oriented surfaces or slabs in a number of easy ways. You
can use Selection tools, in conjunction with the View Direction command, to carve
out a chunk of material; you can use the Depth Profiling feature to visualize a surface
at depth in a material; or you can use the most elegant method of all: the Lattice
Plane command.
The Lattice Plane command displays an oriented, translucent plane, slicing through
the centre of your crystal, in your specified orientation. The plane can be moved,
along its normal, by dragging it with the Lattice Plane tool.
To create a surface, simply drag the lattice plane to an appropriate position, then
use the Slice Model command to hide atoms on one or other side of the plane. This
can be repeated to create a slab, or used with other orientations to create crystal
morphologies.
Crystal faces
The Lattice Plane tool can be used
to reveal the strutural constraints
behind crystal morphology.
Supercell generation
The new Define Supercell command lets you convert multiples of an existing unit
cell into a much larger, “Supercell”. You can define the size of the supercell (numbers
of cells along the crystallographic axes), and CrystalMaker handles the symmetry
transformation for you.
Superlattice properties
This 2x2x2 spinel supercell was
created to model “superlattice
reflexions” in diffraction patterns,
caused by cation ordering.
Supercell generation is a great preparation for simulating diffraction properties
from defect materials. You can use CrystalDiffract and SingleCrystal to simulate the
resulting “superlattice” reflexions.
Product Overview
CrystalMaker
20
Operating System Integration
CrystalMaker is a cross-platform application, designed without compromise for the
very-best performance and user experience on your choice of operating system:
Mac or Windows.
Key features of the Mac version include:
• Latest “Snow Leopard” interface design
• Universal binary
• Spotlight plug-in
• Cover Flow and Quick Look plug-ins
• Rich-text editing and spelling support
Key features of the Windows version include:
• Designed for Windows XP, Vista & Windows 7
• Unified product installer
• Windows Explorer file previews and info tips
• Rich HTML-based online help system
• Inter-application communication
• Windows active directory support
Product Overview
CrystalMaker
21
Mac System Integration
Whilst rival software has come and gone, we’ve been steadfast in our support for
the Mac, dating back to 1994. CrystalMaker was the first application of its type to
support PowerPC, the first to run natively on Mac OS X, the first to run natively on
Intel, and now the first to leverage key “Leopard” and “Tiger” technologies such as
Cover Flow, Quick Look and Spotlight.
Universal performance
CrystalMaker runs natively on both
PowerPC and Intel Macs.
Latest “Snow Leopard” Interface Design
CrystalMaker 8.2 for Mac is designed to run natively on the latest versions of Mac
OS X, 10.4 “Tiger” ,10.5 “Leopard” and 10.6 “Snow Leopard”. Windows, sheets and
data browsers have been updated to take advantage of new operating system
capabilities. This application is provided as a universal binary, delivering native
performance on both PowerPC and Intel processors.
Universal Binary
CrystalMaker for Mac is shipped as a Universal Binary application: this runs
natively on both Intel- and PowerPC hardware, ensuring that you get the very-best
performance, regardless of which Mac you own.
In our own tests, an Intel-native version of CrystalMaker was approximately 250%
faster, when measured on an Intel Mac, compared with a non-native application.
Spotlight
CrystalMaker 8 includes full support for Spotlight, the advanced Mac OS X search
utility. As part of this support, the program provides a plug-in that works with the
operating system and Spotlight, indexing the contents of your CrystalMaker binary
files in the background.
Once Spotlight has finished indexing your structures, you can search and find files
using a wide range of structural criteria, including:
• chemical composition
• spacegroup
• crystal system
• unit cell parameters (a, b, c, a, b, g)
• unit cell volume
• density
• presence of thermal (displacement) parameters
• any information saved in your notes
Spotlight integration
Detailed information about a crystal
is available right from the Finder—
thanks to our Spotlight plug-in.
With Spotlight you have the option of multiple search requests such as “all files
containing the elements Ca and O with cubic symmetry, and a density greater than
2500 kg/m3”, as shown in the illustration below:
Product Overview
CrystalMaker
22
Cover Flow and Quick Look
Instantly preview the contents of your CrystalMaker binary files. Browse through
high-resolution previews of your CrystalMaker binary files in the Finder’s Cover Flow
mode. View preview icons in other Finder modes. (You will need to ensure that any
old files are re-saved in CrystalMaker 8 to enable this feature.)
Rich Text Editing and Spelling Support
CrystalMaker’s text windows, including the program Log and Notes pane, support
rich-text editing with drag-and-drop support. The Notes pane allows you to have
your spelling checked as you type, and supports the Mac OS X Font Palette.
Product Overview
CrystalMaker
23
Windows System Integration
The Windows version of CrystalMaker was launched in 2005, and uses the latest
technologies on Windows XP and Vista, uncluttered by the compromises of legacy
systems.
Designed for Windows XP, Vista & Windows 7
CrystalMaker for Windows was built, for scratch, to support Windows XP and later
operating systems, including Windows Vista. The program uses the latest system
technologies, and does not require legacy (and slow) interfaces.
Unified product installer
CrystalMaker for Windows uses a unified “umbrella” installer, allowing you to
customize the installation process for all our software applications—including
CrystalDiffract, SingleCrystal, as well as CrystalMaker. Supporting resources,
including examples files, multimedia extras, documentation and online help, can be
optionally installed.
Windows Explorer file previews and info tips
A new plug-in allows display of file previews on both XP and Vista operating
systems, together with info tips, giving file/content information.
Rich HTML-based online help system
CrystalMaker uses a cross-platform, forward-looking HTML-based online help
system, that provides rich text, graphics and hyperlink control.
Inter-application communication
Our program architecture allows inter-application messaging, letting you send
structural data from CrystalMaker to CrystalDiffract or SingleCrystal. You can
visualize a crystal structure in one window, then simulate its diffraction properties in
other windows.
Windows active directory support
Active directory support gives you more flexibility when you purchase a multi-user,
Classroom or Site licence. Multiple users can log-in from different locations on a
network and still access their personal settings and files.
Product Overview
CrystalMaker
24
Diffraction Support
CrystalMaker is designed to work with our two diffraction programs to provide a
complete crystallographic toolkit, covering x-ray and neutron powder diffraction,
reciprocal space, transmission electron microscopy, stereographic projections and of
course visualization of the structure itself.
Key features of CrystalDiffract include:
• Works with CrystalMaker
• Powder diffraction simulation
• Interactive parameter control
• Multi-pattern display with mixture control
• Comparison with observed data
• Comprehensive data output options
Key features of SingleCrystal include:
• Works with CrystalMaker
• X-ray & Neutron diffraction simulations (including Laue & Precession)
• TEM diffraction pattern simulation
• Real-time rotation, scaling and measurement
• Overlay of diffraction data/observed pattern
• Measurement & auto-indexing tools for observed data
• Stereographic projections with symmetry support
Product Overview
CrystalMaker
25
CrystalDiffract Features
CrystalDiffract is our solution for x-ray and neutron powder diffraction. It is designed
both as a teaching and a research tool: students can learn about powder diffraction,
and how this is affected by experimental and sample effects. Researchers can
quickly simulate patterns, for easy comparison with observed data.
Quick and Easy
Just drag-and-drop any CrystalMaker
crystal binary file into CrystalDiffract
to view its simulated powder pattern.
The program is ideal for characterising synthesis experiments, working with
mixtures, or understanding particle size/strain effects. Whatever your background,
CrystalDiffract provides a sound basis for working with powder diffraction.
Works with CrystalMaker
If you have CrystalDiffract installed on your system, then you can simulate x-ray or
neutron powder diffraction patterns, directly from CrystalMaker.
Simply choose the Powder option from CrystalMaker’s Diffraction Pattern submenu.
CrystalDiffract will be automatically launched (if it isn’t already open), and your
crystallographic data—including site occupancies and atomic displacement
parameters—transferred to CrystalDiffract for its diffraction calculation.
Powder diffraction simulation
CrystalDiffract lets you simulate x-ray or neutron powder diffraction patterns, with a
choice of experimental types including:
• Angle-dispersive (theta/two-theta)
• Angle-dispersive (d-spacing)
• Angle-dispersive (reciprocal d-spacing)
• Energy-dispersive
• Time-of-flight
Dual wavelengths
CrystalDiffract lets you specify the
wavelength, with support for dualwavelength (Ka1/a2) radiation.
You have extensive control over the simulation process, including peak profile
types (Gaussian, Lorentzian, Pseudo-Voigt—with eta parameter control), peak
width (instrumental broadening) wavelength(s), as well as sample size and strain
parameters.
High-quality graphics
Simulated diffraction patterns can be displayed as greyscale films or graphs.
Individual patterns can be selected and their plot parameters edited, e.g., line width,
colour, style (dashed, dotted, continuous). Peaks can be automatically labelled (any
combination of Miller indices, d-spacing, x-value or phase name) and you can
specify an intensity threshold below which labelling is suppressed.
Product Overview
CrystalMaker
26
The full-feature version of CrystalDiffract lets you print diffraction patterns at
high resolution. You also have the option of exporting diffraction data—including
multiple profiles—as text files, for display in other programs.
Interactive parameter control
A key feature of CrystalDiffract is the power it gives you to adjust experimental and
sample parameters to see how these affect the diffraction process.
Parameter control
CrystalDiffract lets you adjust
many instrumental and
sample parameters—including
composition—real time.
You can use the Parameters list to select specific parameters, such as particle size
or a cell parameter, then click-and-drag a slider control and watch the diffraction
pattern change in real time. This is ideal for learning about diffraction, but can also
be instructive when comparing simulated data with real, observed data.
Multi-pattern display with mixture control
CrystalDiffract gives you the flexibility to compare multiple diffraction patterns in
the same window. You can have the patterns automatically stacked in Film or Graph
modes, or manipulate individual patterns, adjusting their relative scaling and x/y
offsets.
You can instantly toggle between separately-displayed patterns, and a single,
simulated mixture. The Parameters list lets you adjust the relative proportions of
mixture components: again, this happens in real time.
Comparison with observed data
Real diffraction data can be loaded as xy text files. You can drag-and-drop any
number of these files into a diffraction window, for ready comparison with simulated
patterns. Unlike other programs, CrystalDiffract even lets you combine multiple
observed patterns into a single, “observed mixture”.
Comprehensive data output options
CrystalDiffract has powerful data output options. You can browse individual
diffraction pattern data onscreen, sort by d-spacing, intensity or any other
parameter, then save the result as a text file.
Residual display
Compare real and observed
diffraction patterns in the same
window, with the option of Residual
display.
The program’s Export submenu gives you additional options. You can export a
detailed diffraction listing, including structural data plus peak intensities, indices,
positions, etc. There is also the option to export full structure factor data: not
something you might expect from a powder diffraction program!
Product Overview
CrystalMaker
27
SingleCrystal Features
SingleCrystal is our solution for anyone who needs to visualize single-crystal
diffraction patterns, the reciprocal lattice, or work with stereographic projections.
Here is an elegant, easy-to-use program to bring a dusty area of crystallography
firmly into the 21st century!
Quick and Easy
Just drag-and-drop any crystal
binary file into SingleCrystal to view
a simulated diffraction pattern in the
saved orientation.
Design Award
SingleCrystal received an Apple Design
Award in 2007. The judges praised
SingleCrystal for making a specialized
area of science accessible and fun!
Works with CrystalMaker
As with CrystalDiffract, SingleCrystal can be invoked directly from CrystalMaker’s
Diffraction Pattern submenu. Your currently-displayed structure is used to simulate
a diffraction pattern or reciprocal lattice section, in exactly the same orientation as
your crystal model.
Reciprocal lattice display and diffraction pattern simulation
-7 0 0
-6 -2 0
-6 0 0
-5 -2 0
-6 2 0
-5 0 0
-4 -1 0
-4 0 0
-3 -1 0
-5 2 0
-4 1 0
-3 1 0
-2 -3 0
-2 -2 0
-2 -1 0
-2 0 0
-2 1 0
-2 2 0
-2 3 0
-1 -3 0
-1 -2 0
-1 -1 0
-1 0 0
-1 1 0
-1 2 0
-1 3 0
0 -2 0
You can opt to display a reciprocal lattice section, or a weighted reciprocal lattice
section. The orientation of your crystal is set by specifying a view direction—or you
can simply click-and-drag with the mouse to rotate your crystal, or use one of the
rotation buttons in the toolbar.
020
1 -3 0
1 -2 0
1 -1 0
100
110
120
130
2 -3 0
2 -2 0
2 -1 0
200
210
220
230
3 -1 0
4 -1 0
310
400
410
5 -2 0
500
520
6 -2 0
600
620
700
Colourful phases
SingleCrystal does what no
experiment can ever do: show phase
information, as well as intensities.
SingleCrystal lets you simulate X-ray and neutron diffraction patterns, using a
choice of experimental modes including Laue Cylinder, Front Plate, Back Plate; and
Precession patterns. TEM diffraction patterns can also be simulated, with control
over thickness, wavelength, beam convergence, intensity saturation, and much more.
Real-time rotation, scaling and measurement
A great feature of SingleCrystal is its real-time interactivity. You can rotate diffraction
patterns with the mouse (rather easier than using real-life tilt controls!), scale the
pattern, adjust intensity saturation (“beam current”), and measure distances, angles
and peak parameters—all interactively.
Live Diffraction Link
You can now rotate your crystal structure in CrystalMaker, and observe its diffraction
pattern rotating automatically, in SingleCrystal (or vice versa!). A great way of
understanding your diffraction properties, and a brilliant teaching tool!
Product Overview
CrystalMaker
28
Overlay of diffraction data/observed pattern
Tilt control
Reorient your sample using the
toolbar’s tilt controls.
As with CrystalDiffract, you can compare real diffraction data with simulated data.
Just drag-and-drop an image of your real pattern into SingleCrystal, and it will
appear as a backdrop, with your simulated pattern overlain for easy comparison.
This is particularly helpful when dealing with domain or twinning structures, as
illustrated in the following example.
Auto-Indexing
If you need to index a real diffraction pattern, SingleCrystal is here to help! Use
the new Grid tool to identify your observed reflexions, then have the program
automatically index your pattern­—and update the crystal’s orientation—with a
single menu command. (You can also generate a “Zone Axes File” with tabulated
view directions, reciprocal lattice ratios/angles, etc., for use in manually indexing a
pattern.)
Stereographic projections with symmetry support
SingleCrystal brings the arcane world of stereographic projections firmly into the
21st century, with real-time interactive display, high-quality smoothed graphics,
colour-coded poles and traces—and the option of displaying symmetry-related
poles and traces.
Explore symmetry
Use the stereogram to display
symmetry-related plane normals,
vectors (zone axes) and their traces.
SingleCrystal’s graphics—including the diffraction pattern and the stereographic
projection—can be copied to the clipboard, printed, or exported, as high-resolution
vector or pixel-based graphics.
Product Overview
CrystalMaker
29
Resources
To learn more about CrystalMaker and how to get the most out of using the
program, we have prepared the following resources. For more information visit the
CrystalMaker web page at www.crystalmaker.com/crystalmaker.
User’s Guide
The definitive guide to CrystalMaker is provided in PDF format, and accessed when
running the full version of CrystalMaker, using the Help menu.
Tutorial
Included within the full user’s guide is a handy tutorial, designed to get you up-andrunning as quickly as possible.
Setup Guide
The full version of CrystalMaker includes a colour-printed setup guide, covering
installation and general use of the program. This is organized in terms of a typical
workflow, from getting data into the program, to display, manipulation, and output.
Quick Tour (Mac)
Accessed via the program’s Help menu, the Quick Tour is an illustrated PDF
document, highlighting the new features available in CrystalMaker 8 for Mac.
New Features
Browse the illustrated news articles about the program’s features.
www.crystalmaker.com/crystalmaker/whatsnew.html
Online Tutorials
Visit the Support section of our website for a wide range of illustrated tutorials,
program tips and user forums.
www.crystalmaker.com/support
CrystalMaker Gallery
See examples of CrystalMaker in action, via our interactive web gallery (requires
JavaScript).
www.crystalmaker.com/crystalmaker/action
Free Demo
Free demonstration versions of CrystalMaker, CrystalDiffract and SingleCrystal are
available from the CrystalMaker website. Each demo includes online help, a user’s
guide and examples files.
www.crystalmaker.com/downloads
Product Overview
CrystalMaker
30
Technical Specifications
Data Import
• ATOMS
• CCL
• Chem3D Cartesian
• CIF (Crystallographic Interchange File)
• CSSR (Daresbury Laboratory)
• CMTX (CrystalMaker text format)
• FDAT (Cambridge Structures Database)
• GSAS
• ICSD (Inorganic Crystal Structures Database)
• MacMolecule 1
• Molfile
• PDB (Protein Data Bank)
• SDfile
• SHELX
• Struplo
• XYZ
Data Export
• Chem3D Cartesian
• CIF
• MacMolecule 1
• PDB
• CrystalMaker Text
• CrystalMaker Elements
• CrystalMaker Bonds
• CrystalMaker Coordinates Listing
• CrystalMaker Crystal Coordination
• CrystalMaker Visible Coordination
• HTML (web page generation)
• XYZ
Symmetry Handling
• Auto-recognition of spacegroup symbols for all 230 conventional spacegroups, plus
all alternate settings listed in the International Tables for Crystallography
• Auto-recognition of Schoenflies symbols and/or spacegroup numbers
• Symmetry Browser allows easy navigation and searching through crystal systems,
lattice types and spacegroups, with optional display of unconventional settings and
detailed spacegroup information.
• Symmetry Options dialog allows editing of lattice types, general equivalent
positions and origin offsets
• Automatic definition of symmetry-constrained lattice parameters (Constrain lattice
parameter option)
Product Overview
CrystalMaker
31
Atom Colours and Radii
• Automatic recognition of element symbols, matching current global element table
• Elements Dialog provides editing of global element specifications, plus import/
export of atom colour/radius values
• Preset atom specifications provided for Shannon & Prewitt “crystal radii”, covalent
tetrahedral & octahedral coordination; Cambridge Structures Database atomic radii;
atomic radii
Bonding and Polyhedral Options
• Auto-Generate Bonds option
• List Bonds command—provides bond searches and full, concise, or histogram
output around specified sites
• Bond Editor (Edit Bond Specs dialog) allows control over individual bond
specifications, including minimum and maximum distances for bonding between
pairs of chemical elements.
• Multiple bond specifications for the same element pairs make it possible to
distinguish covalent from hydrogen bonding (e.g., H–O versus H...O).
• Automatic generation of polyhedra, following bond generation.
Rendering Options
• Phong rendering model, with full control over ambient, diffuse and specular
reflection from atom spheres, bonds, polyhedra and surfaces
• Polyhedral frame highlights
• Ambient and Point light intensities
• Depth Fading—control and extent
• Depth Profiling with real-time zoom control (Mac)
• Perspective view distance
• Stereo separation
• Red/blue stereo standout and angular separation
Automatic Model Types
• Ball-and-stick
• Stick
• Space filling
• Wire frame
• Polyhedral—including combinations of the other model types
• Thermal Ellipsoids
• Surface Overlay option—with choice of density fill, dot surface or translucent
smooth shading
Model Options
• Extensive choice of photo-rendered or colour/black-and-white atom sphere and
ellipsoid styles for individual sites
• User-defined thermal ellipsoid probability value with option of plotting selected
sites as spheres of an arbitrary size (e.g., H atoms).
• Extensive choice of bond styles for particular bond specifications (e.g., “C–O”), or for
individually- selected bonds.
• User-defined relative bond radii for ball-and-stick and stick model types.
• User-defined sphere radii, including control over ball-and-stick spheres.
• Extensive choice of polyhedral styles for different sites or atoms (Molecule mode).
• Scale line width option for atoms, bonds and polyhedra
Product Overview
CrystalMaker
Display Options
• Single, or multiple unit cells; user-defined line width, style and colour
• Display of “xyz” or “abc” axial vectors
• Display of atom labels, by element type, site, or for individually-selected atoms.
Choice of global site labels, chemical element, atom numbers or z-coordinate
display, with user-defined font and positional settings (with auto option).
• Vectors can be added to any selected atom, in user-specfied orientations [UVW],
colour and length
• Lattice plane display (user-defined orientation, colour and translucency)
• Background pictures
• Background colours and/or gradient fills
• Text boxes, with lines or arrows. Custom-defined colours, fonts.
Molecular Crystal Tools
• Hide “stranded” (under bonded) atoms option
• Hide Molecular Fragments option
• Repair Molecular Fragments option
• Display of optimum unit cell (complete unit cell contents with fully-intact
molecules)
• Select Entire Molecule option
• Hide Other Molecules option
Measurement
• Nearest-neighbour bond searches: user-specified search distance from specified
sites. Choice of detailed, concise, or histogram display.
• Bonds listing, with coordinates, distances and angles for every site.
• Screen ruler and real-time distance tool
• Info tool lists coordinates and bonding details for clicked atom
• Distance between selected atoms
• Included angle between 3 selected atoms
• Torsion angle between 4 selected atoms
• Distance from selected atom(s) to a displayed lattice plane
• Centre-of-gravity of selected atoms, with distances to centre
• Angles between specified lattice vectors and/or lattice plane normals
• Best-fit lattice plane through selected atoms
• Unit cell volume (printed in Bonds output file)
• Calculated density (Bonds file)
• D-spacings (displayed in Show Lattice Plane dialog)
Manipulation
• Mouse-driven structure rotation
• Mouse wheel support for x, y and z rotation (via keyboard modifiers)
• Accelerated rotation option
• Toolbar rotator pad for rotation through precise angle steps
• Auto Rotate command
• Toolbar scale buttons, with accelerated scale option
• User-defined scale
• Mouse-driven movement of entire structure (Move tool)
• Mouse-driven movement of individually-selected atoms (Arrow tool)
• View down any lattice vector or plane normal
• Display all atoms within a preset range of fractional coordinates (not limited to
integral numbers of unit cells!)
• Hide atoms by site, element, or individual selection
• Selection of entire molecule containing one selected atom
• Iterative selection of nearest neighbours
• Crystal—Molecule conversions (two-way)
• Place Molecule option
32
Product Overview
CrystalMaker
33
Graphics Output
• Vector PICT, with user-specified size and resolution (Mac version).
• Photo-realistic pixel-rendered TIFF, JPEG, BMP, PNG, etc., with user-specified size and
resolution.
• Transparent background option (Windows version)
• PDF file (via the Print command, Mac version)
• High-resolution printing
• QuickTime (linear) movies. User-defined movie settings.
• Automatic generation of QuickTime Virtual Reality (VR) object movies.
CrystalMaker can also import a wide range of graphics files, for use as background
pictures.
Window Options
• Different structures plotted in different windows.
• Display different views of the same structure in different windows
• Display different structures in the same window, via the Files pane
• Bookmark your favourite views, using the Views pane of the Overview window
• Tile, Stack and Synchronize Windows commands
Assistance
• Colour-printed setup guide
• 175-page user’s guide (PDF format), available from Help menu. Includes tutorial
• Online help (HTML based)
• Context-sensitive help links
• Contextual popup menus
• Tool tips
• Automatic update checking
• Web-based user forums
• Free technical support to the licensed user(s), for the duration of the licence
Program Limits
• Virtually unlimited (2 billion) atoms, bonds, polyhedra
• Unlimited file favourites and window views
• Multiple (100) undo levels per window
What’s in the Box
• Colour-printed setup guide
• Red/Blue stereo 3D glasses
• Mac or Windiows CD-ROM
• Crystal structures library (600+ annotated structures)
• Examples files illustrating program features
• QuickTime movies, VR objects and background pictures
• Program with integrated online help (Mac or Windows)
• Fully-comprehensive user’s guide, in searchable PDF format, includes tutorial
• Quick Tour guide (Mac)—available from the program’s help menu
CrystalMaker is shipped in a deluxe DVD-style presentation case, with featurepacked CD-ROM (installer program provided for Windows version), printed setup
guide and 3D spectacles.
Product Overview
CrystalMaker
34
Product Overview
CrystalMaker
35
1994 – 2009
15 Ye
ars of CrystalMaker
CrystalMaker®
S O F T W A R E
CrystalMaker Software Limited
Centre for Innovation & Enterprise
Oxford University Begbroke Science Park
Sandy Lane, Yarnton, Oxfordshire, OX5 1PF, UK
Tel: +44 1865–854804 • Fax: +44 1865–854805
[email protected] • http://www.crystalmaker.com