the goodman group
university of cambridge  


   tools

 

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



© Goodman Group, 2005-2017; privacy; last updated December 14, 2017

department of chemistry University of Cambridge