CrystalMaker began life in the classroom.
Founder and managing director, Dr David Palmer,
experienced a frustration common to many science students when first faced
with dusty laboratory "ball-and-stick" models of crystal and molecular
structures. Even the simplest structures appeared almost impenetrably
complex, giving rise to the classic "can't see the wood for the trees" problem.
Seeing the Wood for the Trees
Ten later, whilst preparing an undergraduate lecture course,
David thought of a better way of presenting crystal structures.
Instead of using traditional, static models, he would provide
dynamical models: which could be seamlessly transformed into simpler
and easier-to-understand representations.
The result was CrystalMaker: a program that could not only replicate
the appearance of traditional "ball-and-stick" models, but was also
able to instantly switch to simpler,
stylized representations, with polyhedral units (akin to "Lego" bricks)
replacing complex groups of atoms and bonds.
Deconstructing Complexity
Crucial to the success of this approach 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.
Over prolonged use in lectures and hands-on teaching classes, CrystalMaker
proved highly effective - and also quite inspirational, with its
beautifully-rendered three-dimensional graphics.
Further Refinements
The ability to rapidly isolate areas of interest, to "home in"
on a particular feature, is crucial in developing an effective
3D understanding. CrystalMaker provides an abundance of
ways for making this possible. At the simplest level, atomic
selection tools allow users to literally carve-out chunks of a
structure, hiding the remaining atoms in order to focus on
the selection. Other tools allow easy selection of individual
molecules within a more complex structure or the ability to
show or hide groups of atoms according to their chemical
element or symmetry-related (site) positions in a structure.
Next
|
|
The physical properties of crystals, including their
intricate shapes, are all controlled by their
intricate atomic arrangements
|
CrystalMaker lets you switch seamlessly back and forth
between different representations of the same structure
|
Combined atom, bond and translucent polyhedral views
can be highly revealing
|
|