Data Visualization : Chemistry

ACD/NMR Processor is a vendor-neutral processing and analysis platform that could truly integrate NMR spectra with chemical structures. It allows users to import all major NMR formats to access, process, and analyze their NMR data away from the instrument room, and can then be used to generate a variety of reports suitable for lab reports, theses, and publications.

This is NOT free software, but a 3-year student license is available for $99. Features data processing of 1D and higher dimensional NMR datasets including Fourier transform, window functions, baseline and phase correction, peak picking, integration, line shape analysis (Gauss/Lorentz, dynamic NMR, solids), relaxation and multiplet analysis, spectrum and Fid simulation, printing/plotting, quantification, and AU/Python/Macro programming.

RSC True Type font for Windows and Mac. This allows for some chemical symbols to be used in TrueType-compatible word processing programs. To install, download the file RSC.ttf to your computer. In Windows, copy the file to C:\Windows\Fonts, or right-click on the file and click "Install". In Mac OSX, use the Font Book program in the "Applications" folder. The easiest way to use is via "Insert Symbol" and choose the RSC font.

Accelrys Draw is a simple, free program for drawing chemical structures. Chime is a Java-based browser plug-in for Internet Explorer and Firefox (Windows and Mac) that allows for viewing of chemical structure files. Both are free for academic and personal use with a registration on the website. Other tools are also available at the website.

Cn3D ("see in 3D") is a helper application for web browsers that allows viewing of 3-dimensional structures from NCBI's Entrez Structure database. Cn3D is provided for Windows and Macintosh, and can be compiled on Unix. Cn3D simultaneously displays structure, sequence, and alignment, and now has powerful annotation and alignment editing features.