CCL:G: WebMO Version 12.0 Released
- From: "William F. Polik" <polik]_[hope.edu>
- Subject: CCL:G: WebMO Version 12.0 Released
- Date: Mon, 05 Sep 2011 22:42:32 -0400
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