Package: wnpp Owner: Andrius Merkys <mer...@debian.org> Severity: wishlist
* Package name : smiles-scripts Version : 0.2.0~svn212 Upstream Author : Saulius Gražulis <grazu...@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
