Bug#945207: ITP: libsignatures-java -- graph signature library for molecules
Package: wnpp
Owner: Andrius Merkys <merkys@debian.org>
Severity: wishlist
control: block 635182 by -1
* Package name : libsignatures-java
Version : 0.0~git20141229.14f3045+ds
Upstream Author : Lars Carlsson and Gilleain Torrance
* URL : https://github.com/gilleain/signatures
* License : Expat
Programming Lang: Java
Description : graph signature library for molecules
This project is a re-write of Jean-Loup Faulon's signature code for
molecules,
to make it toolkit independent. Signatures are ultimately canonical
representations of whole molecules or atom valence environments. For
example,
the canonical signature for benzene might be as simple as:
C(C(C(C1))C(C(C1)))
where brackets denote branching and numbers indicate joining (as with
SMILES).
.
Signatures can be used as descriptors for atom or molecule
environments, much
like HOSE codes. They can also be used for structure enumeration.
libsignatures-java is required to update cdk to v2.x.
Remark: This package is to be maintained with Debian Java Maintainers at
https://salsa.debian.org/java-team/libsignatures-java
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