CCL:G: WebMO Version 12.0 Released



 Sent to CCL by: "William F. Polik" [polik_._hope.edu]
 WEBMO VERSION 12.0 RELEASED
 ====================
 
WebMO version 12.0 has been officially released and is available for FREE download at
     http://www.webmo.net/download
 
WebMO is a web-based interface to popular computational chemistry programs including GAMESS, Gaussian, Molpro, MOPAC, NWChem, PC-Gamess, PQS, PSI, QChem, and Tinker. WebMO permits users to build molecular structures, submit jobs, monitor job progress, and view text and graphical results using only a web-browser. This web-based architecture gives users full access to state-of-the-art computational chemistry programs without the need to install any software on their computers. It also minimizes license costs and maintenance time.
 New features in WebMO version 12.0 include:
   * Point group detection of exact and nearly symmetric structures
   * Symmetrization of nearly symmetric structures
   * Display of symmetry elements
   * Automatic tracking of job history for sequential calculations
   * Built-in Cartesian coordinate editor
   * Enhanced job template editor and template syntax checking
   * Streamlined execution of externally produced input files
   * Improved support for Gaussian, Mopac, Gamess, Q-Chem, and Molpro
   * Labeling of NMR peaks
   * Dynamic shifting of NMR spectra relative to standard
   * Gzip format for archive files
   * Improved filtering of displayed jobs, e.g., custom date ranges
   * Improved Mac compatibility (workarounds for Mac-specific Java bugs)
   * Support for most recent versions of Perl
   * Numerous user interface enhancements and bug fixes
 TEACHING SYMMETRY WITH WEBMO
 ============================
 The most dramatic new feature in WebMO 12.0 is symmetry awareness!
 
WebMO displays the point group of editor structures in real-time. WebMO can detect nearly symmetric structures, and then exactly symmetrize them to the desired point group with a single click. And WebMO can display any or all of the symmetry elements (inversion center, proper and improper axes, and reflection planes), even as the molecule is manipulated in 3-D.
 
Instructors can use this feature to display less-than-obvious symmetry elements (e.g., perpendicular C2's in staggered ethane). Students can see what symmetry elements comprise different point groups.
 
Computational chemists can symmetrize nearly symmetry molecules to increase computational efficiency, as well as verify that their input structure has the intended symmetry.
 WEBMO WORKING DEMO
 ==================
 
WebMO is a web-based product, so you don't need to install any software on your computer to use it! Simply go to
     http://www.webmo.net/demo
 
click the WebMO Demo Server link, login as username="guest" and password="guest" (without the quotes), and try out the latest features of WebMO!
 
If WebMO meets your needs, you can then download a copy and install it locally on your Linux, Windows, or Mac computer.
 Enjoy!
 The WebMO Team