Computational Tools

  1. A commercial (third-party) program that will perform electronic molecular calculations for a given molecule
  2. A text editor (word processor) for creating the input files needed for the program, and for manipulating the data output for futher use.
  3. A scientific visualization tool for creating a visual repres representation of the resulting data.
  4. Several UNIX commands. UNIX is the "operating system" used by virtually all high-performance computers. Operating systems perform many of the "houskeeping" chores.

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