In June 2010, IUPAC and the InChI Trust (www.inchi-trust.org) announced the release of version 1.03 of the software. This version integrates the generation of the standard InChI string and non-standard, customized strings as well as the corresponding InChIKeys. Options to generate the non-standard InChI within the same package as the standard InChI make it easier for organisations to use these additional options within their internal systems, conforming to their business rules. Version 1.03 also fixes a number of minor bugs. It clarifies how undefined/unknown stereochemistry is handled, and deals with some structure perception and stereo interpretation option issues.
The complete package, downloadable from www.iupac.org/inchi/download/ contains the files listed below (each of them should be unpacked into a separate directory).
- INCHI-1-DOC.zip - contains documentation related to InChI/InChIKey identifiers v. 1 and InChI software v. 1.03 (2010).
- INCHI-1-BIN.zip - contains stand-alone executables for generating the InChI/InChIKey (Windows and Linux).
- INCHI-1-API.zip - contains code, VC++ projects and gcc makefiles of command-line program inchi-1, as well as of InChI generation library (plus sample applications which use the Library).
- INCHI-1-TEST.zip - contains the files representing various chemical and simple test suite for InChI/InChIKey software.
For the details, see 'RelNotes.pdf' document in INCHI-1-DOC and the 'readme.txt' files in the respective directories.