Software developed in the Goodman Research Group is available in this directory.

Acca

This program combines flip and chng into a single executable, and adds many extra commands. Acca Documentation is available.

CP3

CP3 - NMR comparison protocol

DP4

DP4 - NMR analysis protocol

Eadfrith

A program for displaying structures

Genetic Algorithm Conformation Search

This program, written by Nikhil Nair, uses genetic algorithms to explore conformation space

Magnus: Chemical Calculations in Java

These programs use the Java language to perform various chemical calculations within a web browser

Experimental Data Checker

Better information for organic chemists

mm2pov

converts a MacroModel data file into a Persistence of Vision blob object. mm2pov was written by Mark Mackey

QRC

Quick Reaction Coordinate: an alternative to IRC calculations for linking transition states with reactants and products

Solutions to Kinetic Equations

This program finds numerical solutions to kinetic equations, and compares these results with numerical solutions