https://bugzilla.redhat.com/show_bug.cgi?id=1929958
Bug ID: 1929958
Summary: Review Request: jni-inchi - International Chemical
Identifiers for Java
Product: Fedora
Version: rawhide
Hardware: All
OS: Linux
Status: NEW
Component: Package Review
Severity: medium
Priority: medium
Assignee: nobody(a)fedoraproject.org
Reporter: loganjerry(a)gmail.com
QA Contact: extras-qa(a)fedoraproject.org
CC: package-review(a)lists.fedoraproject.org
Target Milestone: ---
Classification: Fedora
Spec URL:
https://jjames.fedorapeople.org/jni-inchi/jni-inchi.spec
SRPM URL:
https://jjames.fedorapeople.org/jni-inchi/jni-inchi-0.8-1.fc35.src.rpm
Fedora Account System Username: jjames
Description: JNI-InChI enables Java software to generate IUPAC's International
Chemical Identifiers (InChIs) by making Java Native Interface (JNI) calls to
the InChI C library developed by IUPAC. All of the features from the InChI
libarary are supported:
- Standard and Non-Standard InChI generation from structures with 3D, 2D, or no
coordinates
- Structure generation (without coordinates) from InChI
- InChIKey generation
- Check InChI / InChIKey
- InChI-to-InChI conversion
- AuxInfo to InChI input
- Access to the full range of options supported by InChI
- Full support for InChI's handling of stereochemistry
JNI-InChI is a library intended for use by developers of other projects. It
does not enable users to generate InChIs from molecule file formats such as
.mol, .cml, .mol2, or SMILES strings. If you want to do any of these, you
should take a look at the Chemistry Development Kit (CDK) or JUMBO, both of
which include InChI generation powered by JNI-InChI. If, however, you are a
software developer and you want want to generate the InChI for a molecule that
you already hold in memory, JNI-InChI is what you need.
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