Software

Online exact mass calculator, mass spectrum generator, and isotope distribution calculator.

Free software that facilitates and improves the design of chemical combinatorial libraries. It automates the process of reducing vendor chemical lists based on desired product properties.

Programs, Java applets and other Java tools for chemistry, client-server applications, chemical databases, web site development.

Providers of software solutions for molecular modelling and cheminformatics, using structural experimental data as the guideline for drug design.

Archive of chemistry software for Unix, MS-DOS, Windows, Mac. Includes source code in most cases.

Instructional software for general chemistry. Provides access to demo version, frequently asked questions and support resources.

Guided, interactive instruction in general chemistry at the college and advanced high school levels. Demos for Windows and Macintosh. Licensing information available.

Graphical user interface for Linux/Solaris/IRIX with visualization tools and a data management framework for setting up, submitting, and analyzing computational chemistry calculations.

Collection of Python scripts which parse the output of Gaussian or GAMESS calculations to extract information such as the progress of the SCF cycles, geometry optimisation, UV-Vis/IR/Raman spectra, MO levels, and MO contributions.

Free program derived from the original GAMESS code.

Free software for drawing organic molecules and storing them as an X-Bitmap, LaTeX and XFig file. For Linux/Unix, includes source code, screenshots, and downloads.

A latex2e package for generating structural diagrams.

Provided for the convenience of users and software developers of open source versions of RasMol.

A suite of freeware tools for automating work of rendering and animating molecules. Generates high quality images of molecules from PDB, XYZ, or molfiles using raytracing tools (Povray and Raster3D).

A web-based viewer for the 3D structures of proteins, DNA and RNA. Requires Netscape and the Chime plugin, which is only available for Windows9x.