Universal Chemistry ChemOffice Software Package from CambridgeSoft Corporation is one of the most popular in its field today. The package is intended for: visualization of the molecular structure of chemical compounds, predicting their physical and chemical properties, creating and managing databases of chemical compounds, carrying out calculations by the methods of quantum chemistry and molecular mechanics.

1. ChemOffice
Software Package

2. Outline
1. ChemOfiice Software Package
2. Contents of ChemOffice software
package
3. ChemDraw user interface
4. Program ChemBio3D Ultra
5. Summary
6. Bibliography

3. 3
ChemOffice Software Package
One of its creators quantum chemistry Nobel
laureate R. Mulliken:
"An era will come when hundreds, if not
thousands, of chemists will go not to
laboratories, but to computers."
A field of science called computer
chemistryin which the computer has
become as real a research tool as a
physical or chemical experiment.
The spheres of using computers among chemists are the preparation of texts containing
chemical structures, the visualization of the spatial structure of molecules, the prediction of
the physicochemical properties of organic compounds based on their chemical structure,
etc. Popular text editors such as Microsoft Word, Word Perfect or WordPro, etc., despite
their wide capabilities, do not have convenient tools for creating high quality chemical
structures. To solve the problems of creating chemical structures, reaction schemes for
printing purposes, using them in creating databases, searching in information systems,
quantum chemistry programs and other areas, many different software tools have been
created. One of them is ChemOffice.

4. 4
Universal Chemistry ChemOffice Software Package from CambridgeSoft
Corporation is one of the most popular in its field today.
The package is intended for:
 visualization of the molecular structure of chemical compounds,
 predicting their physical and chemical properties,
 creating and managing databases of chemical compounds,
 carrying out calculations by the methods of quantum chemistry and molecular
mechanics.
ChemOffice Software Package

5. 5
Contents of ChemOffice
software package
The integrated ChemOffice software package includes the following four
specialized applications:
"chemical editor" CS Chem Draw, which is a traditional tool for editing
chemical formulas;
a special database editor CS ChemFinder, designed to create, edit and
manage databases of chemical compounds;
CS Chem3D program designed for visualization of chemical compounds,
computer modeling and calculations;
CS Table Editor for viewing and editing tabular data used in the CS Chem3D
package.

6. 6
CS Chem Draw

7. 7
CS Chem Draw

8. 8
CS Chem Draw user interface
The ChemDraw program,
which is one of the
components of the
ChemOffice integrated
software package, is
designed for two-
dimensional representation
of molecular structures and
belongs to the so-called
two-dimensional chemical
editors. It allows you to
display molecular
structures of any
complexity on a plane,
write reaction equations,
name molecules and
convert them into further
three-dimensional Chem3D
models.

9. 9
CS Chem Draw user interface
CS Chem Draw designed for two-dimensional imaging of molecular structures. It
allows you to display molecular structures of any complexity on a plane, write
reaction equations, assign names to built models, etc.
Working
window of the
CS Chem
Draw
Main Toolbar
General Toolbar
Style Toolbar

10. 10
General Toolbar
Check Structure-check allocated structure
CleanUp Structure - arrange the structure
Style Toolbar
Formula – makes it easier to enter chemical formulas
Install or remove any panel can be in the menu view
CS Chem Draw user interface

11. 11
Main Toolbar
Selection of a rectangular or arbitrary area
Eraser(Eraser)- removes unnecessary
Text-to enter text
Arrow- drawing arrows
Bonds-drawing links of various types
Image autoshapes
cyclic hydrocarbons
CS Chem Draw user interface

12. 12
Main menu
File / List Nicknames…-opens a window
where you can choose the molecular
structure and paste it into the document
View/Show Analysis Window-for dedicated
structures gives a window with information about the substance
The received information can be inserted into the document
CS Chem Draw user interface

13. 13
Main menu
View / Show Chemical Properties Window-for dedicated
structures gives a window with the properties of the substance
The received information can be inserted into the document
View/Show Periodic Table Window-issues periodic
Mendeleev's system of elements
Selecting an element and clicking the button
information can be displayed
about this item
CS Chem Draw user interface

14. 14
Main menu
Structure / Convert Name to Structure-
the highlighted name is converted
into the molecular structure
structure/Convert Structure to Name -
for the selected structure its name
Edit/Get3D Model -
a three-dimensional model is created for the structure
CS Chem Draw user interface

15. 15
CS Chem Draw Examples

16. 16
CS Chem Draw Examples

17. 17
CS Chem Draw Examples

18. 18
CS Chem Draw Summary

19. 19
Chem3D Bio-Ultra
Chem program Bio3D designed for 3D modeling and visualization of molecular
structures.
Working
window of the
Chem
programBio3D
Ultra12.0
Arrows show
toolbars
(Toolbars)
standard
Model display
Demo
building

20. 20
Panelbuilding
The tools in this panel allow you to create and edit
3D models of molecular structures
Highlight
Move All
Turn
Scale
Move object
Add
connectio
n
Create
from text
"Eraser"

21. 21
PanelModel Display
Serves to adjust the parameters of the image of a three-dimensional model
Atom
numbers
Atom
symbols
3D Model
Representation
Options
Background
color,
background
color effects
Note. All these features and more are available
in the main menu(paragraph View /Model Display)

22. 22
PanelDemo
Serves for setting demonstration options 3D model
Rotation
wiggle
Axis
selectio
n
Speed
Amplitude
Stop
Note. The same commands can be called from the main menu
(paragraph View /Demo)

23. 23
A few more commandsmain menu
Structure / Measurements-bond length measuring instruments
and angles between bonds
Generate All Bond Lengths-measure bond lengths
Generate All Bond Angles-measure the angles between the bonds
Generate All Dihedral Angles-measure dihedral angles
Measurement results
will be displayed
in the windowmeasurement
in fieldActual, where are they
if necessary
can change.
Checking the box
in fielddisplay,
can be displayed
corresponding measurement
directly on the model

24. 24
How to create a 3D model
1st way -directly in the working window with
toolbarbuilding
2nd way-according to the gross formula of the compound
 Click the button on the panelbuilding
 Click in the working window
 In the text field that appears, write the gross formula
corresponding connection
 After pressingEntera 3D model will be created
3rd way-based on a two-dimensional model created inChemDraw
 Select and copy the 2D model fromChemDraw
 Paste into working windowChem3D
 The model is automatically converted to 3D
How to copy3D-modelout the windowChemDraw?
Menu Edit/Copy As/ChemDrawstructure

25. 25
How to edit a 3D model
 Click the button on the panelbuilding
 Click on the atom to be replaced
 In the text field that appears, enter the symbol of the new atom
 After pressing the keyEnterthere will be changes

26. References

27. Thank for your attention!