Downloads of InChI Software – pre-release for 1.05 and RInChI

FINAL PRE-RELEASE

Download InChI version 1 (software version 1.05) for Standard and Non-Standard InChI/InChIKey (31 December 2016)

This package contains InChI Software version 1.05 (Fall 2016) final pre-release.

Please use the SourceForge inchi-discuss list for any comments (register via https://lists.sourceforge.net/lists/listinfo/inchi-discuss). Final comments by Jan 10th 2017.

 

In this version:

  • support for chemical element numbers 113-118 was newly added;
  • experimental support of InChI/InChIKey for simple regular single-strand polymers was implemented;
  • experimental support of large molecules containing up to 32767 atoms was added;
  • ability to read necessary for large molecules input files in Molfile V3000 format was added;
  • provisional support for extended features of Molfile V3000 was added;
  • InChI API Library was significantly updated; in particular, a novel API procedure for direct
    conversion of Molfile input to InChI has been added; a whole new set of API procedures for both low and high-level operations (InChI extensible interface, IXA) has been added;
  • the source code was significantly modified in order to ensure multi-thread execution safety of
    the InChI Library; several minor bugfixes/changes were made and several convenience options
    were added to the inchi-1 executable.

 

Download the RInChI pre-release version for comment (7 November 2016)

This package contains the RInChI software prerelease version 0.03.1

Please use the SourceForge inchi-discuss list for any comments (register via https://lists.sourceforge.net/lists/listinfo/inchi-discuss). Comments by 9 December 2016 please.

In 2011, the first prototype of RInChI was introduced as version 0.02 based on Python programming (Grethe, Goodman, & Allen, 2013). To make the resulting libraries comparable with InChI deliveries, to increase the search ability of RInChIKeys in the Web by the introduction of the Web-RInChIKey and to fix a number of bugs and development gaps in the former version this new version (version number 0.03) has been created.

Please use the SourceForge inchi-discuss list for any comments (register via https://lists.sourceforge.net/lists/listinfo/inchi-discuss)