Below is a list of tools that will be used in addition to the North Carolina High School Comptutational Chemistry Server. Medicinal chemistry students should make sure that all of these tools have been downloaded and installed, and ensure that they are working properly (NOTE: this will be one of the activities for the first residential weekend).
STELLA is a commercial software package that allows users to model things that change as a function of time. Using four basic graphical icons -- stocks, flows, converters, and connectors -- users can build simulations of dyhamic behaviors, such as the behavior of drugs as they move through the body.
Gnuplot is an open-source graphical plotting tool, used to plot a wide variety of datasets, from small and simple to large and complicated. Gnuplot can also do basic function computing, statistics, and perform other mathematical representations of existing data sets.
CMap is an open-source tool that allows users to build static and interactive concept maps of virtually any topic. Concept mapping is a powerful way to create visual representations of difficult concepts.
Molecular Workbench is a free resource that allows users to explore a wide variety of topics in molecular sciences, including drug design, pharmacology, and genetics/genomics.
LoggerPro is an excellent and easy to use data analysis and plotting program. The program provides users to do a number of statistial analyses of data, including line of best fit (regression) calculations.
R for Windows
Click on "R-2.8.1-win32.exe". Save that to your desktop. Double click to install
R for Macintosh (Intel)
Click on the 2.8.1.dmg file. When it downloads and unwraps, double click to install.