How to use this book
The FELIX Tutorials are a set of step-by-step procedures that illustrate typical examples of how to use FELIX to process raw NMR data.
To access the tutorials, please use one of the following:
Accelrys website (http://www.accelrys.com/doc/)1
Any updates or corrections to the text files will be posted to the web site, making the text at www.accelrys.com the most current.
If you are prompted for a username and password at the Accelrys documentation website, use the following:
An index and table of contents are provided. You can also use the Accelrys Site Search at:
Select All Documentation in the Search Area list. Enter term(s) in the Search field, then click Search.
While viewing the document online, you can use the searching capabilities of your browser to locate information.
You can print individual chapters of these documents via your browser's printing capability.
For information about the FELIX command language or to access the user guide, please see the online FCL Command Language Reference and FELIX User Guide books.
Who should use this documentation
This documentation is intended for FELIX users who want to become familiar with the program by working through tutorial lessons.
The tutorial lessons illustrate a wide range of topics, including:
1D, 2D, and 3D data processing.
Analyzing relaxation data.
Homonuclear and heteronuclear assignment.
Using the Autoscreen module.
Before working with the FELIX tutorials, make sure you are familiar with the following:
Basic operations of the Windows operating system.
Use of the mouse on your workstation.
The FELIX menu interface.
Before you begin, be certain that you have the following available on your workstation:
An installed and licensed copy of FELIX.
A directory in which you can create subdirectories and files.
Setting up tutorial files
Before starting the tutorials, create a location on your hard drive to store tutorial files.
Create a folder on your hard drive to store tutorial files. For example:
By default, FELIX program (executable) and tutorial files are installed in C:\Program Files\Accelrys\Felix 2004
Locate the tutorial files. They are located in a folder named tutorials in the same path as the FELIX program files.
To find these files, you can:
© Navigate through the directory structure using the Windows Explorer from either the My Computer icon or the Network Neighborhood icon on your Windows desktop.
© Right-click the FELIX icon on the Windows desktop. Click Properties. On the Shortcut tab of the popup, note the location of FELIX in the Target window. For example:
> C:\Program Files\Accelrys\Felix 2004\felixwin.exe
In this example, the tutorials folder is in the following path:
> C:\Program Files\Accelrys\Felix 2004\tutorial
Copy all the folders contained within the tutorial folder to the Felix_Practice folder. This uses about 270 MB of disk space. If you don't have enough disk space you may copy only some folders for selected tutorials.
You can find additional information about FELIX, general molecular modeling, structure determination, and NMR data analysis in several other online books:
FCL Command Language Reference - provides information for advanced FELIX users about using FCL and the command mode of FELIX.
FELIX User Guide - Contains general information about FELIX.
NMRchitect - Describes the theory of NMR data analysis and how to use the NMRchitect software to analyze NMR data in the Insight II environment.
Insight II - Describes the Insight II general molecular modeling program environment.
System Guide - Provides step-by-step instructions for installing and administering Insight II products in your operating environment.
Unless otherwise noted in the text, this book uses the typographical conventions described below:
Names of pulldowns, commands, and other items in the FELIX interface are presented in bold type. For example:
Select the File pulldown.
FELIX command and file samples are presented in a courier font. If the example indicates something you must type, it is given in bold courier font. For example, type the FELIX command shown below into the command window when you want to open a file as writable:
> mat yuin.mat w
In referring to the menu items that are used when running FELIX through its menu interface, this guide uses the format Pulldown/Command, since you use the mouse to select the pulldown first, before the command name appears. Where there is more than one cascading pulldown to access before the command name appears, the pulldowns are simply given in the order that you select them.
Contains only the text files; no tutorial data files are available on the Web.
Contains both the text files and the data files used in the tutorials.