MOLECULAR MODELS
53
not just the atoms and/or bonds. When one is faced with
interpreting how a molecule might interact with, say, a
receptor protein, then space-filling models are essential.
There is a downside, however, because it becomes very
difficult indeed to visualize the structure and bonding in
the molecule.
These three types of model are illustrated in
Figure 2.30, though we have employed computer graphics to generate these pictures. Significantly, computer
modelling programs all allow generation of images
according to the three main types of model; each provides us with subtly different information, so they
are not alternatives, but are actually complementary.
Whilst many people still like to handle and view a
model, computer programs have allowed us to create and manipulate representations of three-dimensional
molecules rapidly with varying degrees of accuracy and
sophistication. We can easily view the image from any
angle, and can see the effect that any molecular modifications might have. Further, although interactions of
groups in a molecule can lead to changes in bond angles,
and to a lesser extent in bond lengths, ordinary models may not show this. Computer graphics programs are
able to carry out quite sophisticated energy calculations
to show the most favourable arrangement of atoms, the
interatomic distances, and the bond angles.
53
not just the atoms and/or bonds. When one is faced with
interpreting how a molecule might interact with, say, a
receptor protein, then space-filling models are essential.
There is a downside, however, because it becomes very
difficult indeed to visualize the structure and bonding in
the molecule.
These three types of model are illustrated in
Figure 2.30, though we have employed computer graphics to generate these pictures. Significantly, computer
modelling programs all allow generation of images
according to the three main types of model; each provides us with subtly different information, so they
are not alternatives, but are actually complementary.
Whilst many people still like to handle and view a
model, computer programs have allowed us to create and manipulate representations of three-dimensional
molecules rapidly with varying degrees of accuracy and
sophistication. We can easily view the image from any
angle, and can see the effect that any molecular modifications might have. Further, although interactions of
groups in a molecule can lead to changes in bond angles,
and to a lesser extent in bond lengths, ordinary models may not show this. Computer graphics programs are
able to carry out quite sophisticated energy calculations
to show the most favourable arrangement of atoms, the
interatomic distances, and the bond angles.