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 20 is Released!
New or updated features in WebMO 20 include:
- Interactive spectra (IR, Raman, NMR) and plots (coordinate scan, geometry optimization)
- First-order splitting for realistic proton NMR spectra
- Built-in Huckel, symmetry, and mechanics calculations now included with WebMO Basic
- Enhanced job viewing: right-click for separate tab, sortable and filterable data tables
- Support for TeraChem, Psi 1.3, and Q-Chem 5.3
- Integrated Python programming environment via Jupyter notebooks
- External authentication using Shibboleth single sign-on or Active Directory
- Automated installation on Google, Amazon, or Microsoft cloud platforms
- Numerous interface and compatibility enhancements
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.
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 on Windows
The traditional installation of WebMO Basic/Pro on Windows as a native process will be deprecated in WebMO 21. 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.