Extracting information from several MOPAC files

  • Put all the MOPAC output files inside a subdirectory (ex. MOPAC_out).
  • Save the script fromMOPAC.sh (download it from here) in the current directory*.
  • Run the script fromMOPAC.sh from current directory as:

            ./fromMOPAC.sh MOPAC_out or as sh fromMOPAC.sh MOPAC_out

  • This will produce a file MOPAC_out.csv with the information extracted from all the output files.

* Be careful downloading/running scripts from the internet. If you are unsure about what the script does, do not execute it!