redirect: cdk-user
Hi Bipin,
On Mon, Oct 6, 2008 at 2:45 PM, Bipin Bihari <[EMAIL PROTECTED]> wrote:
> What is the difference between cdk-1.0.4.tar.gz,
> cdk-javadoc-1.0.4.tar.gz and cdk-src+libs-1.0.4.tar.gz files?
cdk-1.0.4.tar.gz
-> is the CDK 1.0 series source code.
cdk-javadoc-1.0.4.tar.gz
-> is the JavaDoc HTML
cdk-src+libs-1.0.4.tar.gz
-> is the same as cdk-1.0.4.tar.gz but add the required 3rd party libs
> And similarly what is difference among cdk-1.1.0 series?
CDK 1.0.4 is the current stable release, based on the cdk-1.0.x series.
CDK 1.1.0 is the first beta release of the cdk-1.2.x branch, which
will lead to the
next stable CDK 1.2 release series.
CDK 1.2 improves over CDK 1.0 on several fronts, such as QSAR
descriptor calculation,
SMARTS support and support for the Java5 Iterable, but (currently)
lacks some important functionality
such as the JChemPaint 2D editor.
The Iterable support allows to convert the CDK 1.0 syntax of:
for (int i=0; i<molecule.getAtomCount(); i++) {
IAtom atom = molecule.getAtom(i);
// do something to this atom
}
to this syntax:
for (IAtom atom : molecule.atoms()) {
// do something to this atom
}
(while the old syntax is still possible)
Let me know if you want more details.
Egon
--
----
http://chem-bla-ics.blogspot.com/
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