Bug#970486: ITP: libchemistry-opensmiles-perl -- OpenSMILES format reader
Package: wnpp
Owner: Andrius Merkys <merkys@debian.org>
Severity: wishlist
* Package name : libchemistry-opensmiles-perl
Version : 0.2.1
Upstream Author : Andrius Merkys <merkys@cpan.org>
* URL : https://metacpan.org/release/Chemistry-OpenSMILES
* License : BSD-3-Clause
Programming Lang: Perl
Description : OpenSMILES format reader
Chemistry::OpenSMILES provides support for SMILES chemical identifiers
conforming to OpenSMILES v1.0 specification.
Chemistry::OpenSMILES::Parser reads in SMILES strings and returns them
parsed to arrays of Graph::Undirected objects. Each atom is represented
by a hash. The parser does not have any chemical inference heuristics,
thus it plainly returns properties which it gets from the SMILES
descriptor. That means numbers of implicit hydrogens and standard
aromaticity representation are left for the user to derive.
Disclaimer: I am one of the upstream developers.
This package is a dependency of smiles-scripts (ITP #969375), as well as
upcoming releases of cod-tools.
Remark: This package is to be maintained with Debian Perl Group at
https://salsa.debian.org/perl-team/modules/packages/libchemistry-opensmiles-perl
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