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Viewing 3D Structures 使用指南

时间:2005-08-10 00:38来源:本站原创 作者:adsony05 阅读:

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ACD/3D Viewer

version 5.0 for Microsoft Windows

User's Guide

Viewing 3D Structures and
Calculating their Structural Parameters

 

Win!!!

See contest details inside.

Advanced Chemistry Development Inc.

 

Copyright © 1994-2001 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.

IBM is a registered trademark of International Business Machines Corporation.

Animagic GIF is a registered trademark of RTL Software, Inc.

PDF, Acrobat and Portable Document Formats and associated data structures and operators are copyright © Adobe 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:  G11_0208


 

Table of Contents

1. Introduction.................................................................................................................

1.1 What is ACD/3D Viewer?...........................................................................................

1.2 3D Optimization Algorithm.........................................................................................

1.2.1 Limitations of ACD/3D Optimizer...............................................................................

1.3 What’s New in 5.0?....................................................................................................

1.3.1 General ACD/Labs Functions....................................................................................

1.3.2 ACD/3D Viewer-Specific Functions............................................................................

1.4 Useful Definitions........................................................................................................

1.5 About this Guide.........................................................................................................

1.6 For More Information…...............................................................................................

1.6.1 Web Site.................................................................................................................

1.6.2 How to Contact Us...................................................................................................

1.6.3 Online Updates—New to 5.0!.....................................................................................

2. Basics of ACD/3D Viewer.........................................................................................

2.1 Objectives...................................................................................................................

2.2 Starting ACD/3D Viewer.............................................................................................

2.3 Setting File Associations—New to 5.0!......................................................................

2.3.1 Changing File Associations.......................................................................................

2.4 Changing Default Directories.....................................................................................

2.5 Exiting ACD/3D Viewer...............................................................................................

3. Operating with Molecules View..............................................................................

3.1 Objectives...................................................................................................................

3.2 Inserting a Molecule into the 3D Window...................................................................

3.3 Customizing Molecules View...................................................................................

3.3.1 Changing Colors.....................................................................................................

3.3.2 Changing Atom Radius of a Specific Element............................................................

3.3.3 Changing Display of Atom Radius............................................................................

3.4 Saving and Loading View Settings...........................................................................

3.4.1 Saving View Settings..............................................................................................

3.4.2 Loading View Settings............................................................................................

3.4.3 Setting Default View Settings..................................................................................

3.5 Calculating Structural Parameters...........................................................................

3.5.1 Calculating Distance Between Two Atoms................................................................

3.5.2 Calculating Angle Between Two Bonds.....................................................................

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