The Chemistry Development Kit 1.3.12 Dev

The Chemistry Development Kit (CDK) is a Java library for bio- and chemoinformatics and computational chemistry.

The Chemistry Development Kit is the basis of other projects like JChemPaint, SENECA, Jmol, and NMRShiftDB.

Requirements:

· Java

What`s New in This Release: [ read full changelog ]

· Cleaned up source file to remove spurious line endings (Rajarshi Guha )
· Bumped version number (Egon Willighagen )
· The formal charge of the IAtomcontainer is transfered to IMolecularFormula (Miguel Rojas Cherto )
· Fixed bug 2787332 The old bond array in the gasteiger charge calculation was set to the wrong size (Rajarshi Guha )
· Updated to fix bug 2788357 SMARTSQueryTool now catches TokenMgrError in the constructor and throws a CDKException. Also added unit test to check for this (Rajarshi Guha )
· Added new taglet to process cdk.githash tag and link Javadocs to sources in Git repo (Rajarshi Guha )