WebMO News
WebMO is continually enhancing its software products by adding new capabilities, expanding compatibililty, and providing support and resources for our userbase. Our latest changes follow!
WebMO Version 24 is Released!
New or updated features in WebMO 24 include:
- Ab initio molecular dynamics (AIMD) calculations
- Support for dummy atoms within editor and z-matrix editor
- Jupyter notebook support for running jobs, obtaining results, and generating images (properties, spectra, orbitals)
- Transparent background support on saved images
- Support for multi-core calculations in OpenMOPAC
- Additional compatibility and bug fixes
WebMO in Education
Using OpenMOPAC and WebMO throughout the Chemistry Curriculum was a presentation at the 2023 MOPAC User Meeting. It is now available on YouTube.
Abstract: OpenMOPAC is a fast and accurate semi-empirical computational chemistry program. WebMO is an intuitive and accessible web-based interface to computational chemistry programs. Together they provide powerful, low-cost access to computational chemistry for education and research. Examples that enhance student learning include general, analytical, biological, inorganic, organic, and physical chemistry. Various OpenMOPAC-WebMO calculations and implementations are presented.
WebMO in the Literature
WIREs has recently published WebMO: Web-Based Computational Chemistry Calculations in Education and Research.
The article covers:
- Overview of WebMO Capabilities
- Architecture and Technology of WebMO
- Educational Applications Across the Curriculum
- Research Applications
- Use by Consortia and Workshops
- Future Directions
Examples of using WebMO are provided for general, organic, physical, inorganic, biological, analytical, materials, and computational chemistry. Many literature references are included!
WebMO App
The WebMO app is free for iOS and Android devices.
Using the WebMO app, molecules can be drawn using its 3-D editor or imported from external databases. Molecular mechanics, extended Huckel, electrostatic, and symmetry calculations can be performed locally. Molecular property lookup is provided through informational, safety, and spectral databases (PubChem, ChemSpider, NIST WebBook, Aldrich, SDBS, NMRShiftDB). High-level computational chemistry jobs can also be submitted to a WebMO server and viewed from your phone, tablet, or computer.
Install the WebMO app on your smart device today from either the Apple App Store or Android Play Store!
WebMO in the Cloud
WebMO can be installed and run in the Cloud for as little as $1/day! Furthermore, one doesn't pay for a cloud instance when it is not running. This makes WebMO in the Cloud ideal for instructional use, e.g., for a computational chemistry lab that might run for only 2 weeks each year.
WebMO provides instructions and automated installation scripts for Google Cloud Platform and Amazon Web Services
WebMO on Windows
The traditional installation of WebMO Basic/Pro on Windows as a native process will be deprecated in WebMO 23. Starting with WebMO 20, Windows is being supported through the Windows Subsystem for Linux (part of Windows 10). This allows for support of WebMO Basic/Pro/Enterprise, a much wider choice of computational engines, and no need to install third-party Perl and Apache within Windows.
See the new instructions for installing WebMO using Windows Subsystem for Linux.