WebMO is a free web-based interface to popular computational chemistry programs including Gaussian, MOPAC, and GAMESS. WebMO permits users to build 3-D molecular structures, submit multiple jobs, monitor job progress, and view text and graphical results all from within a standard web-browser. WebMO has a very fast learning curve for novices, yet offers total control over every job for experts.

WebMO features include:

• Entirely web-based (no software or plug-ins to install on clients)
• True 3-D molecular editor for building input structures
• Built-in support for Gaussian 94/98, GAMESS, MOPAC 6/7
• Automatic parsing of output files for calculated properties
• Vibrational mode and partial charge visualization
• IR and NMR spectra visualization
• Job queuing, monitoring, and control
• Web-based administration of user accounts, time limits, job control, etc.

In addition, the WebMO website has support material of general interest to the computational chemistry community, including

• Detailed Gaussian, GAMESS, and MOPAC installation instructions
• East-to-follow Red Hat Linux installation instructions
• Computational chemistry course lecture notes and exercises which are available at http://www.webmo.net/support/ and http://www.webmo.net/curriculum/

30 May 2001

Features new to WebMO version 3.0 include:

• Updated WebMO Editor featuring
  • Better support for large molecules
  • Free translation/rotation of selected fragments
  • Duplication of selected fragments
  • Built-in fragment library
  • Enhanced toolbar
• Updated daemon to support multiple simultaneous running jobs
• Fragment manager to extend built-in fragment library
• Folder-based job organization system
• Support for MOPAC 2000
• Automatic bond creation during import of existing jobs
• Various interface improvements and bug fixes

WebMO Pro is a commercial add-on to the freeware WebMO computational chemistry package. WebMO Pro features a variety of powerful enhancements that are suitable for serious education, commercial, or research-level users.

In addition to all of the WebMO features, WebMO Pro adds the following:

• Support for multiple remote computational servers
• Visualization of molecular orbitals (Windows/PC clients only)
• Improved job organization with unlimited user-customizable folders
• Creation of spreadsheet summaries to compare results from multiple jobs
• Individual user job calculation templates

Information on features, purchasing, and pricing of WebMO Pro can be found at http://www.webmo.net/pro/.