The Computer-Assisted-Structure-Elucidation Kit (CASEkit)

Introduction

This project depends on the Chemistry Development Project (CDK), hosted under https://cdk.github.io/ Please refer to these pages for updated information and the latest version of the CDK. CDK's API documentation is available though our Github site.

Download Source code

This assumes that you have git working on your system and you have initialised your local repository.

Then, downloading casekit is just a matter of

git clone https://github.com/michaelwenk/casekit

Install NMRShiftDB Predictor Tool

casekit depends on the prediction tool from NMRShiftDB, the predictorc.jar file. Maven needs it to be locally installed via

cd casekit && \
sh install_predictorc_jar.sh

Compiling

Compiling the library is performed with Apache Maven and requires Java 1.7 or later:

mvn clean package

will create an all-in-one-jar under ./target which you can use in your Java project.