sci-chemistry/inchi

A library for generating IUPAC International Chemical Identifiers.

Versions

Slot	Version	Repository	Platforms
0	1.06	scientific	~amd64	arm?	armv7?	armv8?	x86?

Metadata

Homepage	https://iupac.org/who-we-are/divisions/division-details/inchi/
Summary	A library for generating IUPAC International Chemical Identifiers
Description	InChI is an acronym for IUPAC International Chemical Identifier. It is a string of characters capable of uniquely representing a chemical substance and serving as its unique digital ‘signature’. It is derived solely from a structural representation of that substance in a way designed to be independent of the way that the structure was drawn. A single compound will always produce the same identifier. In one sentence: InChI provides a precise, robust, IUPAC approved structure- derived tag for a chemical substance.
Upstream release notes	http://www.inchi-trust.org/download/106/RelNotes.pdf
Dependencies	( build: app-arch/unzip build+run: !sci-chemistry/openbabel[<2.3.2] )
Downloads	( https://www.inchi-trust.org/download/106/INCHI-1-SRC.zip -> inchi-1.06-src.zip https://www.inchi-trust.org/download/106/INCHI-1-TEST.zip -> inchi-1.06-test.zip doc? ( https://www.inchi-trust.org/download/106/INCHI-1-DOC.zip -> inchi-1.06-doc.zip ) )
Licences	IUPAC-InChI-Trust-1.0

Choices

OPTIONS

doc	Adds extra documentation (API, Javadoc, etc)