the goodman group
university of cambridge  


   list of software
Chemical Information Laboratory

Software Available

The most important programs:
In all these notes, commands for you to type are in a special font. For example, typing:
ls
in a terminal window will list files. Often it is necessary to type a filename or further instruction after a command. For example:
cat benzene
will display the contents of the file 'benzene' on the screen. Filenames often have extensions, which are the final part of the name: a full stop followed by more letters, usually three more. A calculation on a a molecule may generate a series of files with different extensions. For example:
benzene.com benzene.out benzene.log benzene.dat
Commands to analyse these files are usually typed without an extension, unless otherwise noted in the instructions.



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department of chemistry University of Cambridge