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Graphical Displays: |
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Molecular Models |
Molecular structures may be displayed in one of several styles,
from simple wire and ball-and-wire models, to tube and ball-and-spoke
models, to space-filling models which depict actual size.
User-defined planes and points may be added to the models, and geometrical
parameters (bond lengths, angles, dihedral angles) as well as surface
area and volume (of a space-filling model) may be measured.
An arrow may be attached to the model showing sign and direction of
the dipole moment. |
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Biopolymer Models |
Ribbon displays for polypeptides and polynucleotides. Display large
biopolymers in the popular "ribbon" format with customized
color based on strand, secondary structure, or residue type. |
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Surfaces and Maps |
Electron densities, spin densities, molecular orbitals, and electrostatic
potentials may be displayed as isosurfaces or color maps on top of
isosurfaces. Surfaces and maps may be displayed as opaque or translucent
solids, meshes, or as a series of "dots". Area and volume
of a displayed surface may be measured and property value at a selected
surface location may be queried. |
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Animation |
Molecular models and associated surfaces and maps for molecules
contained within a list may be displayed in sequence, either by manual
stepping or by rapid automated stepping ("animation"). This
allows visualizing changes in property throughout a chemical reaction
or a conformational motion. A special case which involves motion along
a normal mode, is useful for establishing whether a transition state
smoothly connects reactants and products. |
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Stereo 3D |
Molecular models and associated graphics can be displayed in 3D
using color filtration techniques. |
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Multiple Molecules |
As many molecules as desired may be displayed simultaneously on
screen, together with any associated graphics. Molecules may be aligned
based on structure similarities. |
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