Open Babel

This program translates between numerous chemical data formats. Input is a data file in one of approximately 40 formats such as pdb, shellx, xyz. The output is a data file in another format. For a list of supported formats, refer to the Babel homepage. The program is in the same directory.
To start the program type:

% source /apps3/openbabel/.setbabel

% babel -m

Because typing in the source command each time you want to run Babel can become tedious, you can set up an alias command to do this each time you wish to run Babel. You may create or edit your current .alias file using your favorite editor (emacs, pico, vi). Included below are the vi commands used to add an alias for Babel.

% vi .alias

G

A<enter>

alias sbabel source /apps3/openbabel/.setbabel

:wq

Once you have added this line to your .alias file, it is necessary to add a line to your .login file that lets the computer know where your aliases are kept. Use your favorite editor and add the following line to the end of your .login file:

% source ~/.alias

Please Note: Once you have made these changes you must reinitalize your login environment. To do this you may either logout and login, or type % source ~/.login. From now on you can invoke Babel by typing:

% sbabel

% babel

Please read the Online manual for further instructions.