WebMO Pro Gov 1-User

Support for SMP-parallel jobs (i.e. multi-processor and/or multi-core systems)

Visualization of molecular orbitals and NBO's

Visualization of electron density, electrostatic potential, and electrophilic/nucleophilic surfaces

Improved job organization with unlimited user-customizable folders

Save text notes associated with each job

Creation of spreadsheet summaries to compare results from multiple jobs

Integrated z-matrix editor

1-D coordinate scanning (Gaussian, MOPAC, NWChem, QChem)

Support for multiple remote computational servers

Integrate with other visualization and analysis programs

Individual user job calculation templates

Searching of existing jobs within Job Manager

Integrated job template editor

• Sun Microsystem's Java Runtime Environment (JRE) version 1.5 or greater
• ActiveState Perl ("ActivePerl") for Windows version 5.8 or greater
• Apache for Windows version 2.0 or greater
• Windows computational chemistry program:
        Gaussian 03 
        Mopac 2007 
        NWChem 5.0 
        PC-Gamess 7.0 
        Q-Chem 3.0 
        Tinker 4.2 
        WinGamess 2007
  

Linux/Unix/Mac OS X

• Web server (apache, ...) capable of executing CGI scripts
• Perl interpreter version 5.0 or higher
• 1 MB free space for WebMO scripts, java, and HTML (5 MB for WebMO Pro)
• 100 MB+ free space for user files and scratch files
• 'sendmail' for optional e-mail notification
• Web browser: IE 4+, Firefox, Netscape 6.2+, Safari 1.2, Omniweb 5.1+, Camino 0.8+, Opera
• Unix computational chemistry program:
        Gaussian 94/98/03
        GAMESS 
        MolPro 2002/2006 
        MOPAC 6/7/200X 
        NWChem 4 
        QChem 2/3
        and/or Tinker 4