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 22 is Released!
New or updated features in WebMO 22 include:
- New line structure editor for drawing complex structures including stereochemistry
- Improved submission and processing of 1-D and 2-D coordinate scans
- Python library for submitting jobs and accessing results
- Partial and full structure pre-optimization with molecular mechanics
- Enhanced support for SLURM batch queues
- Support for OpenMopac 22, Orca 5.0, Psi4 1.6
- New YouTube videos describing basic features and operations
- Additional compatibility and bug fixes
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.