Chemical Structures
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ACD/ChemSketch
Version 6.0 for Microsoft Windows
Users Guide
Drawing Chemical Structures
and Graphical Images
Win!!!
See contest details inside.
Advanced Chemistry Development Inc.
Copyright © 1994-2002 Advanced Chemistry Development Inc. All rights reserved.
ACD/Labs is a trademark of Advanced Chemistry Development Inc.
Microsoft is a registered trademark and Windows is a trademark of Microsoft Corporation.
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IBM is a registered trademark of International Business Machines Corporation.
All the other trademarks mentioned within this Manual are the property of their respective owners.
All trademarks are acknowledged.
Information in this document is subject to change without notice and is provided “as is” with no warranty. Advanced Chemistry Development Inc. makes no warranty of any kind with regard to this material, including, but not limited to, the implied warranties of merchantability and fitness for a particular purpose. Advanced Chemistry Development Inc. shall not be liable for errors contained herein or for any direct, indirect, special, incidental or consequential damages in connection with the use of this material.
Part number: G10_2406
Table of Contents
1. Introduction
1.1 What is ACD/ChemSketch
1.2 Additional Modules
1.3 Whats New in 6.0
1.3.1 General
1.3.2 Structure mode
1.3.3 Draw mode
1.4 About this Guide
1.5 Useful Definitions
1.6 Demo Versions
1.7 Freeware Version
1.8 For More Information
1.8.1 Web Site
1.8.2 How to Contact Us
1.8.3 Online Updates
2. Basics of ACD/ChemSketch
2.1 Objectives
2.2 Starting ACD/ChemSketch
2.3 Setting File Associations
2.3.1 Changing File Associations
2.4 Changing Default Directories
2.5 Structure and Draw Mode
2.5.1 Structure Mode Screen
2.5.2 Draw Mode Screen
2.6 Importing files
2.7 Exiting ChemSketch
3. Drawing Simple Structures
3.1 Objectives
3.2 Drawing Atoms, Bonds, and Labels
3.2.1 Using the Draw Normal Tool
3.2.2 Double and Triple Bonds
3.2.3 Deleting Atoms Individually
3.2.4 The Undo Command
3.2.5 Polymers–New to 6.0!
3.2.6 Pseudo Atoms–New to 6.0!
3.2.7 Markush Bonds–New to 6.0!
3.2.8 Changing the Atom
3.2.9 Using the Draw Continuous Tool
3.2.10 Using Mouse Drag
3.2.11 “Cleaning” the Structure
3.2.12 Using the Stereo, Coordinating, and Undefined Bond Tools
3.2.13 Generating Stereo Descriptors
3.2.14 Editing Atom Labels
3.2.15 Draw Chains Tool
3.3 Flipping Structures
3.4 Selecting, Rotating, and 3D Rotating
3.5 Output
3.5.1 Saving a ChemSketch (SK2) File
3.5.2 Saving a Structure into a MDL Molfile
3.5.3 Printing
3.5.4 Embedding the Structure in a Document
3.6 Clearing the Screen
4. Getting Started with ACD/I-Lab
4.1 Objectives
4.2 Overview
4.3 Connection Options
4.4 Guest Access
4.5 Perform Calculations
4.6 Registering
4.7 Demo Keys
4.7.1 To Obtain the Demo Key
4.8 Activating Your I-Lab Account
4.9 Logging In
5. Drawing More Complex Structures
5.1 Objectives
5.2 Using the Table of Radicals
5.3 Using Ring Structures
5.4 Deleting Atoms and Fragments
5.4.1 Deleting Several Atoms Simultaneously
5.5 Replacing Atoms
5.6 Setting Double and Triple Bonds
5.7 Setting Charges and Defining Anions and Cations
5.8 Changing Atom Properties
6. Advanced Structures, SMILES Notation,