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WebMO - Computational chemistry on the WWW
Recent news

WebMO 8.0 is now available for free download!

WebMO 8.0 Pro and Enterprise have a variety of additional features and is available for purchase.

WebMO can now be installed on Windows, Mac, and Unix servers!
July 4, 2008
Computational Chemistry Pre-Compiled Binaries for Mac OS X

Pre-compiled binaries of computational chemistry programs can save the time and trouble of obtaining and compiling the program source code.

The binaries discussed on this page have been tested on Mac OS X 10.1.

MOPAC 7

  1. Obtain the MOPAC 7 binary
    MOPAC 7 is public domain and the pre-compiled binary code mopac7.exe.tar.gz can be obtained from the WebMO website
  2. Uncompress the archive
    % su
    # cd /usr/local
    # tar xzvf /{download_dir}/mopac7.exe.tar.z
    # chown -R root:wheel mopac7
  3. Configure WebMO to use MOPAC7 as a computational engine
    • Login to WebMO as user 'admin'
    • Click 'Interface Manager' to enable the interfaces to any computational chemistry packages that you have installed on your system
    • Click the 'Enable' button for MOPAC
    • Click 'Return to Admin' to return to the WebMO administration page
    • Click 'MOPAC Manager' to configure the MOPAC interface
    • Verify that the entries are correct; if necessary, edit entries and click Submit
      • Mopac Version: Mopac 7
      • Mopac path: /usr/local/mopac7/mopac.exe
      • External parameter dir:
    • Click 'Return to Admin', followed by 'Logout' to exit the WebMO administration page
  4. Login as a WebMO user, and run a test job using MOPAC as the computational engine
GAMESS

  1. Request a copy of the GAMESS source code
    Visit the GAMESS homepage and request a copy of the pre-compiled distribution for "GAMESS ver. Mmm. DD, YYYY running on Mac OS X"
  2. Obtain the GAMESS binary
    Download the pre-compiled binary file, gamess-OSX.Current.tar.gz, using the username "source" and the password in the email message that you received
  3. Uncompress the archive
    % su
    # cd /usr/local
    # tar xzvf /{download_dir}/gamess-OSX.Current.tar.gz
    # chown -R root:wheel gamess
  4. Add a symbolic link to the gamess binary
    # cd gamess
    # ln -s gamess.*.x gamess.00.x
  5. Configure WebMO to use GAMESS as a computational engine
    • Login to WebMO as user 'admin'
    • Click 'Interface Manager' to enable the interfaces to any computational chemistry packages that you have installed on your system
    • Click the 'Enable' button for GAMESS
    • Click 'Return to Admin' to return to the WebMO administration page
    • Click 'Gamess Manager' to configure the Gamess interface
    • Verify that the entries are correct; if necessary, edit entries and click Submit
      • Gamess Version: Mmm DD YYYY
      • Gamess directory: /usr/local/gamess
      • Gamess binary: gamess.00.x
      • Ddikick binary: ddikick.x
    • Click 'Return to Admin', followed by 'Logout' to exit the WebMO administration page
  6. Login as a WebMO user, and run a test job using GAMESS as the computational engine
GAUSSIAN 98

    Gaussian 98 is a commercial software product and must be purchased from Gaussian, Inc. Both source code and pre-compiled binary versions of Gaussian 98 are available. Please visit the Gaussian website for information about purchasing the binary version of Gaussian 98.

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