WebMO - Computational Chemistry on the WWW

	Recent news WebMO 13.1 is now available for free download! WebMO 13.1 Pro and Enterprise have a variety of additional features and is available for purchase. WebMO can now build bulk, periodic (1D, 2D, 3D) materials. Periodic calculations are supported in Gaussian, PWSCF, and VASP!
June 20, 2013

What is WebMO?

WebMO is a free World Wide Web-based interface to computational chemistry packages.

WebMO can be installed on the following platforms:
Windows 2000, XP
Mac OS X
Linux / Unix

WebMO can be accessed from any Windows, Mac, or Linux/Unix web-browser.

WebMO Pro is a commercial add-on to the freeware WebMO computational chemistry package. It features a variety of visualization and job management enhancements that are appropriate for serious education, commercial, or research-level users.

WebMO Enterprise builds on the features of WebMO Pro, with a variety of enhancements that are targeted towards large computer clusters or large numbers of users.

Key Features of WebMO

Here are some key features of WebMO:

Support for Gamess, Gaussian, MolPro, Mopac 7/93/200X, NWChem, PQS 3.3, PSI 4, QChem, Tinker, PWSCF (Quantum Expresso), and VASP

Users draw structures in a 3D java editor, run calculations, and view results, all from their web browser

No software to install on the client. WebMO is installed only on the single web server that runs or accesses the computational chemistry programs

All administrative tasks (user accounts, program configuration, job time limits, etc) are performed through a web browser interface

Simple enough for undergraduate computational chemistry curriculum: reasonable default values and results are presented on web pages

Flexible enough for computational chemistry research: full access to input and output files

Works fully with Internet Explorer 6.0+ (Windows), Safari (Mac), Mozilla Firefox (Windows, Mac, Linux/unix), and other browsers

Why do I want WebMO?

WebMO improves the accessibility and usability of computational chemistry software. Users can access and use your software from their web browser. A web-based interface provides unheard of ease-of-use and a shallow learning curve for beginners. Advanced users benefit from convenience, full access to input and output, and management of computing resources.

WebMO also allows many users to take advantage of a single workstation on which the computational chemistry programs are installed. This greatly lowers the cost of hardware and software licenses, and it minimizes the time and effort for system maintenance.

How does WebMO work?

A three dimensional structure is created using a true 3-D editor, via Java technology. A computational engine is chosen, and job options are selected from dropdown menus. The job is submitted for computation, and the server runs the job. After the job is completed, the output file is parsed and results are presented as 3-D structures, animations, graphs, and tables on a webpage.

In addition, WebMO allows for importing existing structures, monitoring the progress of running jobs, job queuing, progress monitoring, and importing previusly computed output files for visualization.

How easy is it to install WebMO?

Installing WebMO is easy with a user-friendly installation script which asks a few simple questions (computer name, location of perl, desired location of webmo directories). Setup is completed using the web browser interface to access WebMO's administrative tools (setting up user accounts, specifying computational engine binaries).