WebMO 3.3: WWW-based interface to Gaussian, MOPAC, and GAMESS



WebMO version 3.3 has been officially released and is available for download at the WebMO website. A tour of screenshots, a working demo server, a detailed features list, and download information can be found at
      http://www.webmo.net
 
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 is ideal both for research and for classroom use.
 The WebMO feature list includes:
 
* Integrated 3-D molecular editor with automatic clean-up and fragment library * Calculation of molecular energy, optimized geometry, transition states, vibrational frequencies and intensities, NMR frequencies, UV-vis frequencies, coordinate scans, IRC scans, saddle calculations, and molecular orbitals * Complete control over all submitted jobs, included automatic queuing, user time limits, and job archiving * Visualization of geometry, dipole moment, partial charges, normal modes, IR spectra, UV-vis spectra, infrared spectra, coordinate scans (pro), and molecular orbitals (pro)
 Features of WebMO new to versions 3.2 and 3.3 include:
   * Enhanced control over visualization of IR and NMR spectra
   * Enhanced control over visualization of molecular vibrations
   * Calculation and visualization of UV-vis spectra
 
* Visualization of electron density, electrostatic potential,and electrophilic/nucleophilic surfaces (pro)
   * Import existing structures in MOL, PDB, and XYZ format
   * Import existing structures from gaussian and mopac input files
   * Export structures in MOL, PDB, XYZ, gaussian, or mopac formats
 
* Integration with external visualization (chime, rasmol) and analysis (molden, molekel) programs (pro)
 
WebMO has been adopted by hundreds of academic and professional users because it lowers the cost and greatly simplifies the implementation of computational chemistry: * All calculations are setup, run, and visualized using a standard web browser * One familiar interface supports many state-of-the-art computational chemistry programs
   * WebMO is accessible from dorms, labs, home, or anywhere with a web browser
 
* WebMO is free, as are some of the supported computational chemistry programs * Only one server computer is required, rather than multiple workstations in a computer lab * A WebMO User's Guide containing instructions, tutorials, and class-tested student exercises is available for free download
 Try out WebMO for free by visiting the WebMO Working Demo at
      http://www.webmo.net/demo
 
Since WebMO is a web-based product, there is no need to install any software on your computer. Just point, click, and compute!
 Enjoy!
 The WebMO Team