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WebMO - Computational chemistry on the WWW
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December 12, 2018
WebMO Installation Instructions for Windows

These instructions are to be used for installing a copy of WebMO for the first time. To upgrade an existing WebMO configuration, refer to the WebMO upgrade instructions instead.

  1. Pre-requisites
    1. Perl
      Download and install ActiveState Perl ("ActivePerl") for Windows
      By default, perl will be installed to C:\Perl
      Verify installation by opening a command window and typing
      > perl c:\Perl\eg\example.pl
      which should display
      Hello from ActivePerl!
    2. Apache
      Download and install Apache for Windows
      For example,
      apache_2.2.25-win32-x86-no_ssl.msi
      or
      apache_2.2.25-win32-x86-openssl.msi
      By default, apache will be installed to C:\Program Files\Apache Software Foundation\Apache2.2
      You may need to unblock network access to this program after installation
      Verify operation of the webserver by browsing to
      http://localhost/
      which should display
      It works!
    3. Windows computational chemistry program(s)
      WebMO supports Gaussian 03, Mopac 2009, NWChem 5, PC-Gamess 7, Q-Chem 3, Tinker 4, and WinGamess 2007. Detailed installation instructions are available on the Computational Chemistry Pre-Compiled Binaries for Windows support page. You must be able to run your computational chemistry program from the command line before WebMO can support it!
  2. Obtain a WebMO license
  3. Download "WebMO for Windows" to your Windows PC
  4. Extract the WebMO distribution
    Right-click on the downloaded file and select "Extract all..."
  5. Run the setup script
    Navigate into to the extracted distribution and then into the WebMO.install directory
    Double-click setup.pl
  6. Follow the directions that are given in the setup script
    Enter WebMO license number when prompted
    Accept the default installation directories, if appropriate:
        Path to perl: C:/Perl/bin/perl.exe
        HTML directory: C:/Program Files/Apache Software Foundation/Apache2.2/htdocs/webmo
        HTML URL: /webmo/
        CGI script directory: C:/Program Files/Apache Software Foundation/Apache2.2/cgi-bin/webmo
        CGI script URL: /cgi-bin/webmo
        User files directory: c:/Program Files/WebMO
    After the distribution files are copied, the command line portion of WebMO setup is complete
  7. Follow the URL given at the end of setup process and continue with the online WebMO configuration. For a standard Windows installation, the login URL should be http://localhost/cgi-bin/webmo/login.cgi
    • Login as user 'admin' with an empty password
    • Reset the admin password when prompted
    • Register your copy of WebMO when prompted
    • If the registration process fails (e.g., due to no internet connectivity), login again from the URL at the end of the setup process as user 'admin' with the new password
    • Click 'Interface Manager'
      • Click the 'Enable interface' icons to enable any computational chemistry packages that you have installed on your system
      • Click the 'Edit interface' icon and make any neccessary changes in the interface configuration
      • Click 'Submit' to commit the changes
      • Click 'Return' and 'Return to Admin' to return to the WebMO administration page
    • Click on the 'User Manager'
      • Click the 'New User' button
      • Specify a Username and Password
      • Click 'Submit' to create the user
      • Click 'Return to User Manager' and 'Return to Admin' to return to the WebMO administration page
    • Setup is complete. Click the 'Logout' button to logout of the WebMO administration page
  8. Login as the WebMO user that you created. In the job manager, click 'Create New' to run a test job
  9. If you have not yet installed any computational chemistry programs on your windows computer, see the separate support pages for installing binary versions of Gamess, Gaussian, Mopac, Nwchem, Q-Chem, and Tinker. Then enable, configure, and test these packages as described above.
  10. Questions or feedback?
    Please visit the WebMO Support Forum or send email to support@webmo.net.

Uninstallation

To fully uninstall WebMO for Windows, simply delete the following directories (assuming the default installation locations):

  • cgiBase: C:\Program Files\Apache Software Foundation\Apache2.2\cgi-bin\webmo
  • htmlBase: C:\Program Files\Apache Software Foundation\Apache2.2\htdocs\webmo
  • userBase: C:\Program Files\WebMO
Note: WebMO stores its configuration in C:\Program Files\Apache Software Foundation\Apache2.2\cgi-bin\webmo\interfaces\globals.int and therefore does not make any make any entries in the Windows registry.

Troubleshooting

If you experience any problems, please refer to the WebMO troubleshooting page.

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