Jim Downing

Now that a number of niggling bugs have been ironed out, we’ve released a stable version of the SPECTRa tools.

There are prebuilt binaries for spectra-filetool (command line tool helpful for performing batch validation, metadata extraction and conversion of JCAMP-DX, MDL Mol and CIF files), and spectra-sub (flexible web application for depositing chemistry data in repositories). The source code is available from the spectra-chem package, or from Subversion. All of these are available from the spectra-chem SourceForge site.

Mavenites can obtain the libraries (and source code) from the SPECTRa maven repo at http://spectra-chem.sourceforge.net/maven2/. The groupId is uk.ac.cam.spectra – browse around for artifact ids and versions.