You can also use distance geometry to build and molecular mechanics minimize a structure with Distance Geometry and MM2 . These Web pages now also support Netscape 4.07 as well as Internet Explorer. The HPLC Simulator uses a purely equilibrium model for chromatography to simulate the separation of two compounds. Equilibrium Constants and Partition coefficients can be set up for all complexes that form including dimers. The mobile phase can have an additive, M, that might be a cyclodextrin, an ion pairing reagent, etc.
Detection can be direct or indirect, using the mobile phase additive.
A 100 plate column requires 20 sec. This script is new and under development, so expect changes. This script runs using Netscape and Internet Explorer on Macs and PCs. Organic Compounds Educational NMR Software List Sweet J A Mac application to calculate J-coupling constants using the Karplus and Altona Equations. This is a local bin-hexed Mac version, for faster downloading than directly from the Web.