The eFF distribution comes as a compressed file that contains the eFF and eFFview programs, builder scripts, documentation, and example configuration files from the tutorials (chapter 2) and the small molecule library (chapter 6).
The program comes precompiled for Windows, Mac OS X, and Linux together with all necessary libraries. Detailed installation instructions are given below; instructions for recompiling the eFF or eFFview programs are given in the first chapter of the Programmer's Guide.
c:\home> unzip eff_distro.zip
c:\home> cd eff_distro\eff c:\home\eff_distro\eff> eff test.cfg c:\home\eff_distro\eff> edit test.effYou should see a line near the end of the output file test.eff:
c:\home\eff_distro\eff> cd ..\effview c:\home\eff_distro\effview> effview test.effA graphics window should appear, and a movie of an adamantane molecule undergoing Auger dissociation should begin to play. Press q or the ESC key to quit.
In Windows 2000 or XP, do this by right-clicking ``My Computer'' on the desktop, clicking Properties, clicking the Advanced tab, clicking the ``Environment Variables'' button, and adding the directories to the end of the path, separating directories with a semicolon, e.g.
c:\home\eff_distro\eff; c:\home\eff_distro\effviewIn Windows Vista, click Start .. Control Panel. In the search box on the upper-right hand corner, type ``system path'', then select ``Edit the system environment variables''. Click the ``environment variables'' button on the lower right hand corner, then select ``Path'' from the ``System Variables'' section, click ``Edit'' and then add the eFF directories to the end of the path.
Alternatively, type the name of the program including the absolute path when you want to run it, eg.
$ cd ~/Software/eff_distro/eff $ ./eff test.cfg $ tail test.effYou should see a line near the end of the output file test.eff:
$ cd ../effview $ ./effview test.effA graphics window should appear, and a movie of an adamantane molecule undergoing Auger dissociation should begin to play. Press q or the ESC key to quit.
Do this by adding the following two lines to the end of the file .bash_profile in your home directory:
PATH = $PATH:~/Software/eff_distro/eff:~/Software/eff_distro/effview export PATHwhere instead of /Software, use your particular installation directory. If you already see lines to define the path in .bash_profile, simply append the directories to the end of those lines instead of creating new ones.
Alternatively, type the name of the program including the absolute path when you want to run it, e.g.
$ tar -xzvf eff_distro.tar.gz