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Recent news
WebMO 9.0 is now available for free download!
WebMO 9.0 Pro and Enterprise have a variety of additional features and is available for
purchase.
WebMO can now be installed on Windows, Mac, and Unix servers!
  
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August 28, 2008
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- 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
- 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
- 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.
- 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
- 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)
- 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
- 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
- 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
- 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
- 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
- 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
- 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
- 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
- Fully customizable calculation support through user-editable template files
- Added ability to restart failed jobs
- Various user interface improvements and bug fixes
- 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
- 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
- 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
Copyright © 2000, WebMO, LLC, all rights reserved.
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