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Updated the README (fixes #3538451)
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- updated outdated links and added the CDK G+ page
- updated the copyright line
- added an example on how to compile an individual module

Change-Id: I8b7232ffb5e2ee0e8804aa1f5bfb1c75aa238358
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egonw committed Jul 1, 2012
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17 changes: 11 additions & 6 deletions README
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CDK - The Chemical Development Kit

Copyright 1997-2010 The CDK Development Team
Copyright 1997-2012 The CDK Development Team
License: LGPL v2, see doc/lgpl.license

1. Introduction
Expand All @@ -19,7 +19,7 @@ PLEASE NOTE: This is a library of useful data structures and algorithms to manip
from the area of structural chemo- and bioinformatics. As such, it is intended for the use by
programmers, who wish to save some effort by reusing code. It is not intended for the enduser.
If you consider yourself to be more like user, you might not find what you wanted.
Please refer to other projects like the JChemPaint project (http://jchempaint.sourceforge.net)
Please refer to other projects like the JChemPaint project (http://jchempaint.github.com/)
or the Jmol project (http://www.jmol.org/) for programs that actually take advantage of the
CDK library.

Expand All @@ -36,7 +36,7 @@ cdk/$ ant
creates a number of .jar files in the 'dist' directory corresponding to subsets of the CDK
functionality. For convenience, one large .jar file containing everything can be created using the
target 'dist-large' (using the command "ant dist-large"). This is also created in dist/jar and is
typically named something like 'cdk-1.2.7.jar'.
typically named something like 'cdk-1.4.11.jar'.

2.1 Creating the JavaDoc documentation for the API

Expand All @@ -55,7 +55,8 @@ cdk/$ firefox doc/api/index.html

3. Running tests

IMPORTANT: this requires the Git version of the sources.
IMPORTANT: this requires the Git version of the sources, because the test files are not included in
the source code distribution.

After you compiled the code, you can do "ant test-all" to run the test suite of non-interactive, automated
tests. You might need to copy an appropriate junit.jar into your $ANT_HOME/lib
Expand Down Expand Up @@ -91,6 +92,10 @@ Then, a "ant run" should give you a window where you can add bonds to a given st
Currently, there are more than 2500 test, of which a large part tests the data, datadebug and
nonotify classes.

You can run the tests for an individual module with (for the core module):

cdk/$ ant -Dmodule=core compile-module jarTestdata test-module

4. Using CDK

CDK is a class library intended to be used by other programs. It will not run
Expand All @@ -114,6 +119,6 @@ examples and tutorials:
* http://rguha.net/code/java/
* http://www.redbrick.dcu.ie/~noel/CDKJython.html

Further examples can also be found in issues of the CDK News:
* http://cdknews.org/
And for updates on CDK use cases:

* https://plus.google.com/103703750118158205464/posts

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