Buffer Chemistry

XDrawChem is a two-dimensional molecule drawing program. It is similar in functionality to other molecule drawing programs such as ChemDraw (TM, CambridgeSoft). It can read and write MDL Molfiles, and read ChemDraw text and binary files, to allow sharing between XDrawChem and other chemistry... Platforms: Windows, Mac, *nix, C/C++, BSD Solaris

The concept behind this library is that it uses HTML tables as the screen buffer, where every table cell is considered a pixel.When the pixel needs to be animated, it just changes its background color. Limitations: - HTML tables are not meant to be used in the way this library uses them. This... Platforms: Windows, Mac, *nix, JavaScript, BSD Solaris

This popular Physical Chemistry text book is now available in electronic format. We have preserved much of the material of the former hard copy editions, making changes to improve understanding of the concepts in addition to including some of the recent discoveries in physical chemistry. Many... Platforms: Windows

The Chemistry Development Kit (CDK) is a Java library for structural chemo- and bioinformatics. Platforms: Windows, Java,

Gabedit is a Graphical User Interface to Gamess-US, Gaussian, Molcas, Molpro, MPQC and Q-Chem computational chemistry packages.Gabedit includes graphical facilities for generating keywords and options, molecule specifications and their input sections for even the most advanced calculation... Platforms: *nix, C/C++, BSD

JBioFramework (JBF) is a set of simulations of three different chemical separations applications (ion exchange chromatography, 1D electrophoresis and 2D electrophoresis) that are frequently used in chemistry, biochemistry and proteomics research. Platforms: Windows, Mac, Linux

The Atomic Dashboard The Atomic Dashboard is an interactive chemistry resource and learning tool developed by Bitwixt Software Systems. Used by educators, students, scientists, and the simply curious, The Atomic Dashboard features an interactive periodic table that lets you explore the chemical... Platforms: Mac

GDIS is a scientific visualization program for the display, manipulation, and analysis of isolated molecules and periodic structures. It is in development, but is nonetheless quite functional. It has the following features: * Support for many common file formats (CIF, PDB, XTL, XYZ, and many... Platforms: *nix, C/C++, BSD

PyMOlyze is a graphical program to analyze the results of quantum chemistry (HF/DFT) calculations. Features include various population analyses, fragment analysis, monitoring structures during an optimization, and a simple, but powerful, XYZ editor. Platforms: Windows, Mac, Linux

Jmol is a free, open source molecule viewer for students, educators, and researchers in chemistry and biochemistry. It is cross-platform, running on Windows, Mac OS X, and Linux/Unix systems. * The JmolApplet is a web browser applet that can be integrated into web pages. * The Jmol application... Platforms: *nix

Give a boost to the chemistry between you and your clients! Pick up 100 professional and stylish business templates for Apple’s Pages application. Business Mix Set presents an excellent kit of 100 templates for Pages, from business cards and ne Platforms: Mac

Synergy Creations Periodic Table 4 is a versatile chemistry reference tool for your Macintosh that takes the periodic table beyond the simple paper periodic table found in so many textbooks and classrooms. Packed with data and easy to use features, Periodic Table 4 is superb for chemists and... Platforms: Mac

Open Babel is a chemical toolbox designed to speak the many languages of chemical data. It's an open, collaborative project allowing anyone to search, convert, analyze, or store data from molecular modeling, chemistry, solid-state materials, biochemistry, or related areas. * Ready-to-use... Platforms: Windows, Mac, *nix, C/C++, BSD

This code can be used to solve a set of linear equations using Gaussian elimination with partial pivoting. Note that the Augmented matrix rows are not directly switches. Instead a buffer vector is keeping track of the switches made. The final solution is determined using backward substitution. Platforms: Matlab

The Chemistry Development Kit (CDK) is a scientific, LGPL-ed library for bio- and cheminformatics and computational chemistry written in Java. Platforms: Windows, Mac, Linux

Alchemist's Challenge X is a collection of chemistry quizzes designed to help you learn about some of the central features of chemistry. Features: * Four types of quizzes or "challenges" * Element naming, element symbols, formula naming, formula writing, balancing equations, electron... Platforms: Mac

This script is a useful wrapper around the python command line shell to allow editing of the last typed in lines of code in an external editor. Platforms: Windows, Mac, *nix, Python, BSD Solaris

1 Introduction PLS-DA for data analysis in chemistry and OMICS studies. Also included in this package are 3 variable selection methods: 1) target projection (TP) 2) competitive adaptive reweighted sampling (CARS) 3) subwindow permutation analysis (SPA). SPA is based on model pupulation analysis... Platforms: Matlab

The two programs computes residue curve maps for the methyl acetate and isopropyl acetate chemistries at atmospheric pressure. These calculations involve solving a complex system of differential algebraic equations (DAEs). This can be readily achieved using the built-in function of MatLab,... Platforms: Matlab

Using pygtk and glade you can easily write all you need to provide a log text buffer to output the data dropped. Platforms: Windows, Mac, *nix, Python, BSD Solaris