WebMO
Table of Contents
What is WebMO?
WebMO is a web-based interface for quantum chemistry packages. It allows users to build and view molecules in 3D, visualize orbitals and symmetry elements, look up chemical information from external databases, and submit and monitor computational jobs.
The OSCER WebMO site is available to all OSCER users. However, some software packages and toolkits within WebMO are licensed only for University of Oklahoma faculty, staff, and students, or for research groups that purchased the licenses.
NOTE: Only OU users can access Gaussian and GAMESS.
Logging In
You will need an OSCER account to access this website.
After obtaining an OSCER account, email support@oscer.ou.edu to request a WebMO ID.
- Click here to log in.
- At the login page, enter the username and password provided by OSCER Support. If this is your first time logging in, you will be prompted to change your temporary password.
Submitting Jobs / Quick Tutorial
1. Login with your WebMO credentials
2. Start a new job and build your molecule in WebMo using the molecular editor.
3. Select a computational engine (e.g. GAMESS or Gaussian16)
4. Choose compute resources:
- Enter a job name
- Specify calculation type (e.g. Energy Calculation or Geometry Optimization)
- Specify level of theory (e.g. UHF, B3LYP)
- Select basis set (e.g. 6-31G(d))
5. Submit your job by clicking the right blye arrow and monitor progress through the WebMO interface
6. View outputs such as energies, orbitals, and visualizations directly in WebMO by clicking the magnifying glass icon or click the paper icon if the calculation failed to see the raw output.
7. Export output files as needed by clicking Download in the toolbar and then Job Archive. This will save it as a tar.gz for Linux/OS X or zip for Windows.
Support
- Need an OSCER Account? Request an OSCER account here.
- Contact us at support@oscer.ou.edu if you have difficulties logging in.
- Visit the Official WebMO website for additional tutorials.
