统计学数据集、软件StatLib (archive of statistical datasets and software at Carnegie Mellon University)
【简介】
StatLib, a system for distributing statistical software, datasets, and information by electronic mail, FTP and WWW.

StatLib was founded in April of 1989 by Mike Meyer (mikem@stat.cmu.edu), a then Senior Research Scientist, in the Department of Statistics, at Carnegie Mellon University. StatLib started out as an e-mail service (and some of the organization still reflects that heritage). By 1995, StatLib had grown to a collection of about 150 Mbytes and the StatLib server was servicing about 60,000 transactions per month. In the summer of 1998 Mike left Carnegie Mellon and Pittsburgh for Seattle. He left StatLib behind him to Pantelis Vlachos.

Pantelis Vlachos (vlachos@stat.cmu.edu) is a Research Scientist, in the Department of Statistics, at Carnegie Mellon. He took over StatLib from Mike in June of 1998 and kept it virtually unchanged for 3 years. In that period, StatLib, grew by more than 2 Gbytes in size, and received several thousands of hits per day. The growth in size and demand prompted the first major change in StatLib during the post-Meyer era, the conversion to a content management system to service more efficiently the Statistics Community. Using scripting tools like PHP and technology like MySQL, StatLib is turning a page and moving into the 21st century ready to serve the demands of its users and contributors.

萨特勒红外光谱数据库、化学结构及光谱处理软件 (KnowItAll Academic Edition) (免费)
【用途】 The following applications and features are included in the KnowItAll Academic Edition:
DrawIt for chemical structure drawing
ReportIt to generate high-quality lab reports
AnalyzeIt IR & Raman to interpret spectra
RefineIt IR & Raman and ProcessIt NMR
Sadtler Spectroscopy Handbooks – Internet Edition
Spectroscopy
SymApps for molecular symmetry analysis
General laboratory calculations

Simfit (曲线拟合、统计分析、画图软件) (免费)
【用途】 Simfit: a package for simulation, curve fitting, statistical analysis and graph plotting. It employs mathematical models from a library or user-supplied equations, and can be used in biology (growth curves), physiology (transport), pharamacology (dose response curves), pharmacy (pharmacokinetics), immunology (ligand binding), biochemistry (calibration), biophysics (kinetics), epidemiology (survival analysis), medical statistics (meta analysis), chemistry (chemical kinetics), physics (dynamical systems), and mathematics (numerical analysis).

ACD/ChemSketch 11.0 Freeware

Advanced Chemistry Development, Inc. (ACD/Labs) is renowned for our expertise in many areas of chemistry. From industry standard systematic Nomenclature, PhysChem, and NMR prediction software to structure-enabled Spectroscopy, Spectrometry, and Chromatography data management tools. We offer an unsurpassed range of products that facilitate the research process and make teaching more memorable and rewarding.

3D分子图形显示工具 (RasMol and OpenRasMol) (免费)
【用途】 RasMol is a program for molecular graphics visualisation originally developed by Roger Sayle. This site is provided for the convenience of users of RasMol and and software developers of open source versions of RasMol.

This site was established in mid-September 2000 to provide a home for developers of Open Source versions of RasMol. In May 2002, it also became a home page for users of RasMol. RasMol is an important scientific tool for visualisation of molecules created by Roger Sayle in 1992. RasMol is used by hundreds of thousands of users world-wide to view macromolecules and to prepare publication-quality images.

There has always been free access to the source of the main line of RasMol development. With the creation of the RasMol 2.7 series of releases starting in 1999, RasMol formally became an open source program.

Contents

IMPORTANT - Copying and Distribution
Introduction
Software Distributions
RasMol Manual
Frequently Asked Questions
RasMol 2.7 Series History