WebMO Feature Comparison
Basic
Free
- Integrated 3D molecular editor and viewer
- Line structure editor for entering organic structures
- Support for most popular computational engines
- Built-in job queuing system and manager
- Integrated mechanics and Huckel MO calculations
- Graphical and tabular presentation of results
- Visualization of normal modes and IR, Raman, VCD, UV-VIS, NMR spectra
- Visualization of molecular symmetry elements
- Connection to many free external databases
- Phone/tablet support via free WebMO App
- Web-based administration
- Compatible with all modern web browsers
BASIC has the following capabilities...
Pro
$1,200 (academic)
$3,000 (center or commercial)
- Support for SMP parallel jobs on multi-processor multi-core systems
- Visualization of molecular orbitals and natural bonding orbitals
- Visualization of electron density, electrostatic potential, and electrophilic/nucleophilic surfaces
- Visualization of natural transition orbitals and electron density change upon electronic excitation
- Spreadsheet-based import of user accounts
- Job history for workflow tracking
- Improved job organization with user-customizable folders
- Search jobs in Job Manager
- Creation of spreadsheet summaries to compare results from multiple jobs
- Integrated Z-matrix editor, with support for dummy atoms
- Integrated Cartesian coordinate editor
- Coordinate scanning and IRC calculations
- Ab initio molecular dynamics calculations
- Support for multiple remote computational servers
- Integrate with other visualization and analysis programs
- Integrated job template editor with custom-definable variables for adding job options
- User, group, and system-level job calculation templates
PRO contains everything in BASIC, plus...
Enterprise
$2,400 (academic)
$6,000 (center or commercial)
- User groups and group admins for enhanced administrative control
- External authentication through LDAP, Shibboleth, Active Directory, PAM, NIS, etc.
- Interface to existing batch queuing system (Slurm, PBS, SGE, NQS, LSF)
- Parallel job support for multi-node jobs when using PBS, Slurm, or SGE
- Interactive data exploration and analysis using Python or Jupyter notebooks
- Access job results from outside WebMO via REST interface
- Run jobs under existing system accounts
- Store jobs in user home directories
ENTERPRISE contains everything in PRO, plus...
Service
WebMO offers the following SERVICE to support customers:
- Site License: A site license allows for multiple installations at one physical campus or site
- Annual Maintenance: A maintenance contract guarantees you immediate access to all updates for a fixed price that is less than upgrading
- Installation Service: WebMO staff can install WebMO and computational engines in the cloud or on your server