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Happy Birthday, CrystalMaker!
Celebrating 12 Years of Innovation
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23 November 2006. CrystalMaker®, the
award-winning program for visualizing crystal and molecular
structures, celebrates its 12th birthday this month. In the
following article we take the opportunity to look back at twelve
exciting years of innovation.
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In the Beginning
CrystalMaker began life in the classroom. Founder and managing
director, Dr David Palmer - then an academic at the University
of Cambridge - was preparing an undergraduate lecture course in
mineralogy and crystallography. As he dusted off some ball-and-stick
crystal models he remembered his own experiences as a student many
years earlier, grappling with complex structures. Part of the
problem was "seeing the wood for the trees". The solution, surely,
was a dynamical model, which could be seamlessly transformed
into simpler and easier-to-understand representations...
The result was CrystalMaker: a program that could replicate the
appearance of traditional "ball-and-stick" models and
instantly switch to simpler, stylized versions - for example,
using polyhedral units to represent complex groups of atoms and bonds.

Representations of the Fluorite (CaF2) structure.
Crucial to the early success of CrystalMaker was the ability to
easily focus on individual units, whilst hiding the remainder of
the structure. Students would first learn to understand the
structures of the basic building units, and then focus on how
these were joined together to build the more complex extended
structure. This led to an understanding of the subtle
differences between some structures, as well as an appreciation
of the range of length scales: from the atom to the molecular
unit, to the crystal lattice, and beyond.
We now travel back to 1994 to pick up the CrystalMaker story...
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| 1994 |
Sharing the Inspiration |
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Whilst CrystalMaker is proving highly-effective as a teaching
tool, it is also gaining rave reviews for its use in
research. There are many suggestions for new features -
but funding is needed to implement these.
In the absence of public funding, the decision
is taken to commercialize the software in order to
guarantee the best long-term development and user support.
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| November |
After a long development period, CrystalMaker 1.0 is released
for Macintosh. The very-first licence was sold in mid-November to a
graduate student working in Cambridge University's Materials Science
department.
CrystalMaker's very first "splash screen"
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| May |
Six months after its launch a new version of CrystalMaker is
released. CrystalMaker 1.1 supports the then-new PowerPC
chip, provides more polyhedral types, an "Atom Info" window and
various other improvements.
CrystalMaker 1.1.4 is released as a free update later in the
year. Although only an "incremental" upgrade, this version
provides a major new feature: QuickTime video
recording - a first for a crystal structures program. Video
productions is made even easier, thanks to a dedicated Video
Recorder window, with full control over video frame
rates and compression settings, as well as pause/resume
functionality.
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CrystalMaker becomes the first-ever structures
program with QuickTime video recording
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| November |
A second product, CrystalDiffract 1.0, was launched as a free
"helper application" for CrystalMaker, providing simulation of x-ray
or neutron powder diffraction patterns.
Simulating an x-ray film and diffractometer
trace in CrystalDiffract 1.0
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| July |
A year-and-a-half after its first launch, CrystalMaker 2.0 is
ready. This features a new user interface and the ability to
generate QuickTime VR (virtual reality) objects. Other changes
include improvements in display and rendering, plus support for CIF,
ICSD, CSSR and CCL file formats.
Floating windows provide tools and
information displays for CrystalMaker 2
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| December |
Version 2.1 follows as a free update at the end of the year, with
major interface improvements including a colour toolbar, Atom Info
window and the display of lattice planes.
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During the course of this year a total of 9 free updates are
provided for CrystalMaker 2.
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| February |
Early in the new year, CrystalDiffract 2.0 is released as a
free update. The new program sports a vastly-improved interface and
lets users edit site occupancies. Other changes include an all-new
"Apple Guide" online help system (sadly, way ahead of its time) and
faster intensity calculations.
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| April |
As Spring approaches it is time for another major release:
CrystalMaker 3.0. The program sports a new
"platinum" appearance, to match Mac OS 8, and features floating
windows, tabbed Model and Rendering Options dialogs and faster
plotting. More data formats are supported, a "symmetry assistant"
provides help with spacegroup symmetry, and a new menu
command allows direct simulation of diffraction patterns.
The software is distributed with a printed user's guide and comes on
three 1.4 MB floppy discs!
Tabbed dialogs provide extensive control
over model and rendering options
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CrystalMaker 3.1 CD-ROM Edition, launched later in the
year, is designed to work with the revolutionary new iMac
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| November |
As Jonathan Ive's new Apple iMac proves a big hit with the
public, floppy discs suddenly seem dated. The answer is the
CrystalMaker 3.1 CD-ROM Edition. The new program includes
various improvements as well as an online help system.
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| February |
Early in the new year CrystalDiffract 2.1 is released as a free update. Following
the demise of "Apple Guide", the new program has
HTML-based online help. Other changes include smoothed
graphics (implemented at the program level - this is several
years before system-level smoothing was available) and the
saving of user preferences.
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August |
Later that year sees the launch of CrystalMaker 4.0,
featuring display of vectors, custom atom colouring, anti-aliased
edge drawing, stereo-pair plots, red/blue stereo display, selection
and annotation tools. The software is given its first major outing
at the IUCr convention in Glasgow, Scotland.
Atom vectors (left) and custom atom
colouring (right) feature in CrystalMaker 4
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| 2000 |
Diffraction Tools for the New Millenium |
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| March |
The new millenium sees CrystalDiffract 3.0 released in "Pro" and "Limited
Edition" versions. A major interface redesign provides interactive
control over diffraction parameters: users can drag slider
controls to change the wavelength, cell parameters, particle
size, etc., and immediately see the effect on the diffraction
pattern. "Pro" users can also compare their
own observed data with simulated patterns.
Splash screen for CrystalDiffract 3.0
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| April |
In the Spring, CrystalMaker 4.0 is reviewed online, by Macworld.com
- gaining an excellent 4.5 "mice" and considerable praise:
"CrystalMaker is easy to learn, and includes the
most comprehensive and best-produced manual I've seen
for a science product in years, but oddly for scientific
software, its real attraction is aesthetic. It makes the
best-looking crystal structures imaginable... and its
floating 3D representations (viewed with red/blue
glasses) are dazzling as well as instructive."
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CrystalMaker 4.0 reviewed by Macworld.com
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| September |
Later that year comes CrystalMaker 4.1 (a free update), with web-page export,
and JPEG graphics output.
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| August |
Two years after the launch of its predecessor, CrystalMaker
5.0 is released. Key features include: multiple windows - each
with multiple views and undo levels, a major interface redesign,
the ability to work with more atoms and bonds, fractional
occupancies and background pictures.
CrystalMaker's new multi-window/multi-view interface
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CrystalMaker 5.0 wins an "Eddy" award from Macworld
magazine
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| December |
At the end of the year, CrystalMaker 5.0 wins an "Eddy" award in the
2001 Macworld Editor's Choice Awards in San Francisco - a finalist
in the Best Science/Engineering Software category.
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| 2002 |
All Change for Mac OS X |
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| February |
As Apple begins its transition to a new, Unix-based operating
system, we embark on a major process of redevelopment.
Our first Mac OS X product is launched early in the year:
CrystalDiffract
4.0 for Mac OS X has been completely rebuilt to run
natively in the new operating system, and exploits a number
of new interface technologies.
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| April |
In the Spring, CrystalMaker 5.1 is released as a free upgrade. New
features include a revised interface, improved text file import
and enhanced performance when running in Mac OS X's "Classic"
environment.
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| September |
At last CrystalMaker 6.0 for Mac OS X is ready - after a
grueling year in which virtually the entire program has been
rewritten. We were determined to take full advantage of the new
operating system - and simply "porting" the existing code was
not good enough.
The new application runs natively on Mac OS X, as a Mach-O
binary. The interface includes new "sheets" and sortable
data browsers, as well as drag-and-drop Unicode text editing.
Taking advantage of the new OS's memory handling, the new program
allows very-high resolution graphics export and printing.
CrystalMaker running on an early version
of Mac OS X
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Both CrystalMaker and CrystalDiffract are completely rebuilt
for Mac OS X
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| February |
Our hard work pays off: CrystalMaker 6.0 is reviewed by Charles
Seiter in Macworld (USA and UK editions), drawing considerable
praise for its "excellent use of OS features". Summarizing, the
reviewer stated:
"it's no
exaggeration to say this program alone would justify buying a Mac to
produce materials for chemistry or physics lessons. It handles all
crystal-display tasks with grace, and it's a bargain."
Hot on the heels of this review comes another free update:
CrystalMaker 6.1 provides auto-recognition of text file formats,
enabling seamless drag-and-drop loading of database files. Other
changes include mouse wheel support for full 3D structure rotation,
dynamical menus and new document icons.
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| March |
CrystalDiffract 4.1, a free upgrade to existing users, is released
in the Spring. It provides drag-and-drop mixture simulation, peak
overlay options and a new Structures List for rapidly browsing
through a range of structures.
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| June |
CrystalMaker 6.2 is released as a free update in early Summer. The
major new features relate to annotation: a new editor window gives
easier control, smoothed graphics are used for all drawing and new
interactive scalebars can be created.
Textboxes, arrows and scalebars in
CrystalMaker 6.2
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CrystalMaker 6 gets a 5-cow rating by Tucows
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| July |
CrystalMaker Software Ltd is formally established as a
privately-owned company, registered in England and Wales. The
company is dedicated to developing innovative scientific software
for research and education.
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| October |
Later in the year CrystalMaker 6.3 is released, again as a free
update. The major features are tools for working with molecular
crystals, with the ability to hide or repair "fragmented" molecular
units. More significantly, a "Show Molecular Cell" command provides
the optimum display of a molecular crystal, with all-intact
molecules: ideal for small-molecule chemists! The program also
includes major revisions to the menu structure, with new new
keyboard shortcuts and dynamical menus.
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| December |
CrystalMaker Software Ltd moves to new offices at
Oxford University's Begbroke Science Park, a few miles
north of the City of Oxford.
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| 2004 |
An Award-Winning Company |
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| March |
CrystalMaker makes its debut at the American Chemical
Society, with an exhibition booth at the 2004 Spring
Exposition in Anaheim, California.
Another 10 free updates to CrystalMaker 6.3 follow!
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| September |
CrystalMaker Software Ltd wins the eTrading category of the
2004 South East England eCommerce Awards and are shortlisted
for the national prize. The award citation highlights
the company's impressive export achievement, with several
thousand users spread across 40 countries and 6 continents.
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| November |
CrystalMaker 6.3 is reviewed by the Journal of Chemical
Education. Reviewer Prof Chris Cahill writes:
"In my opinion, CrystalMaker is an excellent, highly intuitive
program with extraordinary graphics and incredible functionality
and versatility. It is a must have for those serious about
crystal structure manipulation and presentation."
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| January |
Following an extended period as a free "public beta" program, a full
commercial version of SingleCrystal 1.0 for Mac OS X is
released. This provides reciprocal lattice visualization,
stereographic projections and electron diffraction simulations - for
any crystal. Users can manipulate a structure in CrystalMaker then
choose a single menu command and see the resulting single-crystal
diffraction pattern in SingleCrystal.
Simulated electron diffraction pattern
and stereographic projection for epidote
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SingleCrystal acts as a helper application for CrystalMaker,
but is a powerful application in its own right
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At about the same time, CrystalDiffract 5.0 is
released, providing multi-pattern simulation and display,
with instant mixture generation, and the ability to
compare multiple experimental datasets with their
simulated counterparts.
Multiple diffraction patterns displayed in the same window
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| April |
After more than ten years on just the Mac platform,
CrystalMaker 1.0 for Windows XP is released. The new
program, like its Mac OS X counterpart, was painstakingly
crafted to take full advantage of the operating system, and
without any compromises on interface design or performance.
CrystalMaker - now running on Windows XP
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CrystalMaker is designed, from scratch, to run natively
under Windows XP and later
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| July |
CrystalMaker 7.0 for Mac OS X is released in what is
the biggest-ever program upgrade. As part of a collaborative
research project with Prof Martin Dove (University of
Cambridge), the program has been comprehensively
re-engineered: old array limits have been swept away and the
program can work with virtually unlimited numbers of atoms,
bonds and polyhedra.
Whilst the engineering improvements are impressive, most
users are more impressed by the speed improvements and
another key new feature: the ability to display thermal
ellipsoids.
Thermal ellipsoids can be plotted using
photo-realistic and stylized representations
A major free update to the Windows version 1.1 follows
soon afterwards, yielding performance improvements and
a refined user interface.
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| October |
CrystalMaker 1.2 for Windows is released as a free
update. This release includes key new features from the
Mac 7.0 product, including thermal ellipsoids, custom-defined
polyhedra and interactive bond editing.
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| November |
CrystalMaker 1.3 for Windows is released as a free
update, providing QuickTime video recording and automatic
VR object generation for Windows users.
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| 2006 |
Universal Performance |
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| January |
SingleCrystal 1.1 for Mac is released as a free update,
providing a new online help system, automatic update
checking, thermal ellipsoid support - and native performance
for both PowerPC- and the new Intel-based Macs:
SingleCrystal is now a Universal Binary application.
CrystalDiffract 5.1 for Mac is released at the same time,
also as a free update, and also as a Universal Binary
application. Key new features include a data browser for
custom sorting and exporting of diffraction data and
user-defined reflexion limits to speed up working with massive
structures.
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Our Mac products now run natively on the new Intel-based
Macs, as well as older PowerPC machines
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| February |
CrystalMaker 7.1 for Mac OS X is released as a free update:
another Universal Binary application.
Compared to the previous version (CrystalMaker 6.3),
CrystalMaker 7.1 is around 10% faster on a PowerPC machine,
and a staggering 250% faster on an Intel machine!
CrystalMaker 7.1 is faster on both
PowerPC (G5) and Intel systems!
A key new feature is "depth profiling", which allows users to
rapidly scan slices of material, using custom-defined depth
profiles. The visual effect is impressive, with foreground atoms
becoming translucent, and background atoms fading out of view, as
the user drags a "depth" slider control.
Profiling cavities in the zeolite "faujasite",
using CrystalMaker 7's Depth Profiling feature
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| March |
CrystalDiffract 1.0 for Windows is launched at the American
Chemical Society's Spring Exposition in Atlanta, GA. Now
our growing band of Windows users have access to the same
x-ray and neutron powder diffraction tools as our
Mac users.
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| August |
During an unusually scorching British summer, SingleCrystal 1.2 for
Mac emerges. This free update features powerful stereographic
projection capabilities, including display of symmetry-related poles
and traces. For the first time, users can compare simulated and
observed diffraction patterns in the same window.
Earlier in the Summer saw another office move: CrystalMaker Software
Ltd moved into the brand new Centre for Innovation & Enterprise
at the Oxford University Begbroke Science Park. This
building houses a number of dynamic companies, including
university spin-offs and startup ventures, as well as more
established businesses such as our own.
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Symmetry relations are
easily visualized in SingleCrystal
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| November |
CrystalDiffract 1.1 for Windows is released later in the year, with
an all-new online help system, support for multi-byte file systems
and various interface improvements.
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| December |
Major new versions of CrystalMaker for Mac and Windows are
released as free updates. The new versions include a diverse
range of new features including the ability to edit bonding
without resetting custom views. CrystalMaker 1.4 for Windows
includes major interface enhancements and benefits from extensive
usability testing on Japanese, as well as Western, systems.
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Further Information:
- For a general introduction to our
products, please see the
CrystalMaker,
CrystalDiffract
and SingleCrystal
product pages.
- Download
free demonstration software for Mac or Windows,
plus graphics and movies.
- For pricing and ordering information for new
licences, please refer to the CrystalMaker Sales page.
- If you are a registered CrystalMaker user,
you can download a free update from the
updates page.
- To purchase an upgrade, or take advantage of
our cross-platform upgrade scheme (e.g.,
Mac to Windows, or Windows to Mac), please visit
the upgrades page.
- The CrystalMaker
user's guide
(7.9 MB PDF file) describes new features in more detail.
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© 2008 CrystalMaker Software Limited. All rights reserved worldwide.
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