WebMO Revision History

	Recent news WebMO 13.1 is now available for free download! WebMO 13.1 Pro and Enterprise have a variety of additional features and is available for purchase. WebMO can now build bulk, periodic (1D, 2D, 3D) materials. Periodic calculations are supported in Gaussian, PWSCF, and VASP!
May 24, 2013

WebMO Version 13.1 (May 2013)

Support for the newest versions of GAMESS, MOPAC, and PSI

Updated browser support: IE 10

Support for most recent versions of Java

Misc. bugfixes

WebMO Version 13.0 (Aug. 2012)

Support for periodic systems (1D, 2D, 3D) in Editor applet

Creation of interfaces / display of Miller planes

Support for PWSCF (Quantum Espresso)

Support for VASP

Support for PSI 4

Job Manager "refresh" behavior enhanced (now only refreshes job list!)

Visualization of forces / gradients

Visualization of density of states

Support for import of CIF files (periodic systems)

Dramatic performance increases in Editor applet for large systems

WebMO Version 12.1 (Feb. 2012)

Processor limits are now enforced prior to job submission

Parse Raman spectra

IR/Raman intensities are now displayed

JCAMP-DX export from spectrum viewer

Improved visability of bond lengths/angles/dihedrals in editor status bar

Numerous bug fixes

WebMO Version 12.0 (Aug. 2011)

Point group detection of exact and near symmetric structures

Symmetrization of near symmetric structures

Display of symmetry elements

Streamlined execution of externally produced input files

Tracking of job history for sequential calculations

Built-in Cartesian coordinate editor

Improved support for Gaussian, Mopac, Gamess, Q-Chem, and Molpro

Labeling of NMR peaks

Gzip format for archive files

Filtering of displayed jobs by custom date ranges

Improved efficiency in filtering large numbers of jobs

Improved Mac compatibility (workarounds for Mac-specific Java bugs)

Support for most recent versions of Perl

WebMO Version 10.1 (July 2010)

Improve usability of editor for translating/rotating selections and large molecules

Dynamic shifting of NMR spectra relative to TMS

Dynamic unit conversion for excitation energies / UV-Vis spectra

Improved job templates for Gaussian

Support for Gaussian "Geom=Connectivity" syntax

Improved job template editor and template syntax checking

WebMO Version 10.0 (Aug. 2009)

Updated support for Gaussian09, MOPAC 2009, Gamess 2009, Molpro 2009, NW-Chem 5.1, PC-Gamess 7.1, PQS 3.3, Q-Chem 3.2, Tinker 5.0

New support for PSI 3.5 and Firefly 7.1

New Windows 7 support and improved Vista and OS X support

Automatic and dynamic on-screen resizing of applets to fit browser window size

Dramatically improved MOViewer memory usage and tabbed interface

Added / improved support for ROHF and UHF calculations

Parsing and viewing of NBO population analysis and ESP charges in Gaussian

Full support for cut/copy/paste in editor, integrated with system clipboard

Support for open/save structures and images to disk directly from editor

Scroll wheel zoom support in editor / viewer applets

Native printing support in editor / viewer applets

Optional scale factor for vibrational frequencies to rescale calculated values

Data export from spectrum / data viewer applets (save spectrum as text file)

Animations can now be saved as movies (animated GIFs)

Administrators can now easily email users or groups of users via the 'User' and 'Group' Managers

Added "+" sign to end of dipole moment vector to clarify sign convention

Several Windows installer tweaks to ease installation on Vista/Windows 7

WebMO Version 9.1 (Feb. 2009)

PC-GAMESS 7.1 compatibility

MOPAC 2009 compatibility

Easy on-screen resizing of applets

Added confirmation before killing a job

Several Windows/Mac installer tweaks

WebMO Version 9.0 (July 2008)

2D coordinate scanning and associated contour plots

Built-in queuing system is now multi-core aware

Parallel SMP-only job support with built-in queuing system (Windows, linux, and OS X)

Integrated searching of existing jobs in Job Manager

Integrated job template editor

User-definable custom variables for adding job options

Updated job templated system

Viewing / parsing of spherical-type MOs, as well as Cartesians

Support for PQS

Viewing of failed, running, or partially-successful jobs

Job options are saved and restored upon restarting a job

Job archives via TAR or ZIP

All applets are now embedded in the page for a cleaner look

WebMO Version 8.0 (Aug 2007)

Full support (WebMO, WebMO Pro) for installation on Windows; no UNIX/Linux server required!

Support for PC-GAMESS

Parsing / display / plotting of intermediate geometry optimization energies

Cluster-mode integration with existing system accounts

Full support for external user authentication through PAM, NIS, LDAP, POP3, etc.

Optionally run PBS/NIS/SGE/LSF queued jobs under system user UIDs

Optionally store user jobs in corresponding home directory

Automatic WebMO account creation when using external authentication

Updated available fragments in WebMO editor

Added field for 'real name' associated with each WebMO user; this is displayed in the 'User Manager'

Add command line tools to convert the various binary WebMO databases to/from XML

WebMO Version 7.0 (Jan. 2007)

Increased robustness of Editor molecular mechanics for improved initial geometries

Increased robustness of Editor clean-up for unusual species (carbocations, carbanions, etc.)

Automatically diagnoses and reports the most common causes of job failure

Seemless JPEG image capture from the viewer applet

Updated pure-Java implementation of MOViewer application with enhanced capabilities, performance, and compatability

Single-click coordinate scannig in the Editor; no more z-matrix editor required!

Experimental support for external user authentication through NIS, LDAP, etc.

WebMO Version 6.1 (June 2006)

Overhauled administrative interface

Jobs and users are now stored in a database for enhanced performance and scalability

Parallel job support when using PBS queuing system

Added support for 'groups' of users

Added support for associating editable text notes with a job

WebMO Version 6.0 (July 2005)

Complete user interface overhaul

Enhanced applet 3D graphics and performance

Support for editor applet keyboard shortcuts

Animations of vibrational modes are now supported

Animations of geometry optimization and IRC pathways are now supported

Visualization of molecular orbitals on all platforms (Windows, Linux, Mac)

WebMO Version 5.0 (Dec. 2004)

Support for NWChem 4.6+

Support for QChem 2.1+

Support for Tinker 4.2+

Enhanced support for GAMESS (DFT, CCSD, NMR, UV-Vis)

Added molecular mechanics optimization to WebMO editor

Integration with Sun Grid Engine queueing system

Various user interface improvements and bug fixes

WebMO Version 4.1 (Aug. 2004)

Support for GAMESS 2004 versions fixed

Added import user list feature in WebMO User Manager

Increased robustness of PBS support

Enhanced web browser support for all platforms (Mozilla, Mac OS X browsers, Sun Java plug-in)

Various user interface improvements and bug fixes

WebMO Version 4.0 (Oct. 2003)

Support for MolPro 2002

Support for Gaussian 03

Support for PBS and NQS batch queuing systems

Visualization of natural bonding, hybrid, and atomic orbitals

Enhanced web browser support for all platforms (Mozilla, Mac OS X browsers, Sun Java plug-in)

Import of Gaussian, GAMESS, MolPro, and MOPAC input files directly into the editor

Various user interface improvements and bug fixes

WebMO Version 3.3(June 2002)

Support for MOPAC 2002

Import of Gaussian and MOPAC input files directly into editor

Export of optimized structure in a variety of formats

Visualization of UV-Vis spectra

Enhanced control over visualization (peak widths, vector lengths, etc.)

Integrate with other visualization and analysis programs

Added diagnostic script to detect common configuration problems

Added 'Disable Queue' option for administrator

Implemented use of 'AddRedundant' in Gaussian

Enhanced parsing of Gaussian energies

Various user interface improvements and bug fixes

WebMO Version 3.2 (Jan. 2002)

Added "Import Molecule" feature to Build Molecule page

Visualization of electron density

Visualization of electrostatic potential

Visualization of electrophilic/nucleophilic surfaces

Enhanced parsing of Gaussian G2 calculations

Various user interface improvements and bug fixes

WebMO Version 3.1 (June 2001)

Added "Advanced Job Options" pages

Added integrated z-matrix editor

Support for SADDLE transition state searching (Gaussian, MOPAC)

Support for IRC calculations

Support for 1-D coordinate scanning (Gaussian, MOPAC)

Fixed WinNT/2k/IE 5.5 java related incompatibility

WebMO Version 3.0 (May 2001)

Updated daemon to support several simultaneously running jobs (as desired)

Support for multiple remote computational servers

Visualization of molecular orbitals (Windows/PC clients only)

User-customizable folders

Spreadsheet summaries of selected jobs

Individual user job calculation templates

WebMO Version 2.2 (May 2001)

Added support for MOPAC 2000

Folder-based job organization system

Fragment library added to editor

Ability to translate and rotate selections added to editor

Bonds are now added on imported jobs

Various user interface improvements and bug fixes

WebMO Version 2.1(Dec. 2000)

Fully customizable calculation support through user-editable template files

Added ability to restart failed jobs

Various user interface improvements and bug fixes

WebMO Version 2.0 (Oct. 2000)

Added support for IR spectrum visualization

Added support for NMR spectrum visualization

Added support for partial charge visualization

Gaussian checkpoint files are now supported

Gaussian DFT methods are now supported

Improved job monitoring (can view output file of running jobs)

Improved Java-related international support

Improved Editor applet class structure

Migrated scratch directory settings to System Manager

Various user interface improvements and bug fixes

WebMO Version 1.1 (June 2000)

Added support for MOPAC 6/7

Added support for GAMESS

Added 'Interface Manager' to WebMO Administration

Migrated interface files to <webmo>/cgi-bin/interfaces

Job Manager filters now stay applied after a 'Refresh'

Various bug fixes

WebMO Version 1.0 (Feb. 2000)

Works fully with Netscape 4.07+ (PC, unix), IE 4.0+ (PC, unix), and HotJava 3.0+ (PC, Macintosh)

Provides access to Gaussian 94/98

Integrated 3D molecular editor and viewer

Full administrative capabilities

Job control (start, kill)

Dipole moment visualization

Vibrational mode visualization

Provides access to raw Gaussian output

Ability to import pre-existing Gaussian jobs