Bug#969375: ITP: smiles-scripts -- command line tools to handle SMILES descriptors

[Andrius Merkys <merkys@debian.org>]

Package: wnpp
Owner: Andrius Merkys <merkys@debian.org>
Severity: wishlist

* Package name    : smiles-scripts
  Version         : 0.2.0~svn212
  Upstream Author : Saulius Gražulis <grazulis@ibt.lt>
* URL             :
https://projects.ibt.lt/repositories/projects/smiles-scripts
* License         : GPL-2.0
  Programming Lang: Java, Perl
  Description     : command line tools to handle SMILES descriptors

Package provides command line tools to work with Simplified Molecular
Input Line-Entry System (SMILES) descriptors. Package contains command
line interface scripts for Chemistry Development Kit (CDK), as well as a
syntax checker for SMILES descriptors.

Disclaimer: I am one of the upstream developers.

The package is described in Quirós et al. 2018,
doi:10.1186/s13321-018-0279-6. I use its command line tools to validate
SMILES syntax and produce SVG graphics for chemical compounds identified
by SMILES descriptors.

Remark: This package is to be maintained with Debichem Team at
   https://salsa.debian.org/debichem-team/smiles-scripts