JOELib

JOELib Tutorial

Interfaces

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JOELib Tutorial

	Contents
	Preface
	Installation
	Basics
	Functionalities
	Utilities
	Maintenance
	Descriptors
	Algorithms
	Interfaces
	Interfaces JNI
	Interface ML
	Documentation
	Examples
	Applications
	Support
	Structures
	Bibliography
	Glossary
	Index

JOELib2 Tutorial

Acknowledgements

Research at WSI-RA

Software at WSI-RA

WSI-RA Department

JOELib Tutorial: A Java based cheminformatics/computational chemistry package
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Chapter 7. Interfaces to other libraries

Table of Contents
Interfaces to Java libraries
Interfaces to C/C++ libraries using the Java native interface (JNI)
Matlab interface

abc.

Interfaces to Java libraries

Chemical Development Kit (CDK)

The most relevant interface methods for the Chemical Development Kit (CDK) library are available in the joelib/util/cdk/CDKTools.java helper class.

Weka data mining library

The most relevant interface methods for the Weka data mining library library are available in the joelib/algo/weka/InstancesHelper.java helper class. For using Weka you should modify the constructors in weka.core.Attributes from 'protected' to 'public' and use the recompiled Weka sources.

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Morgan: Unique atom numbering		Interfaces to C/C++ libraries using the Java native interface (JNI)

Last changes: 08.12.2010, 16:52 CET (UTC/GMT +1 hour) wegner.
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