WebMO Feature Comparison

Basic

Free
 
Basic

    BASIC has the following capabilities...

  • Integrated 3D molecular editor and viewer
  • Support for most popular computational engines
  • Built-in support for mechanics and Huckel MO calculations
  • Built-in job queuing system
  • Graphical and tabular presentation of results
  • Visualization of normal modes and IR, UV-VIS, NMR spectra
  • Visualization of molecular symmetry elements
  • Connection to many free external databases
  • Job manager for job organization and control
  • Phone/tablet support via free WebMO App
  • Web-based administration
  • Compatible with all modern web browsers

Pro

$1,200 (academic)
$3,000 (commercial)
Pro

    PRO contains everything in BASIC, plus...

  • 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
  • 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
  • Integrated Cartesian coordinate editor
  • Coordinate scanning and IRC 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

Enterprise

$2,400 (academic)
$6,000 (commercial)
Enterprise

    ENTERPRISE contains everything in PRO, plus...

  • 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 / Jupyter notebooks
  • Access job results from outside WebMO via REST interface
  • Run jobs under existing system accounts
  • Store jobs in user home directories

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