opsin

downloads

OPSIN is a Java(1.6+) library for IUPAC name-to-structure conversion offering high recall and precision on organic chemical nomenclature.

Home https://bitbucket.org/dan2097/opsin/
Versions 1.4.0, 2.1.0
License Artistic License 2.0
Recipe https://github.com/bioconda/bioconda-recipes/tree/master/recipes/opsin/1.4.0

Installation

With an activated Bioconda channel (see 2. Set up channels), install with:

conda install opsin

and update with:

conda update opsin

Notes

Opsin is Java program that comes with a custom wrapper shell script. This shell wrapper is called “opsin” and is on $PATH by default. By default “-Xms512m -Xmx1g” is set in the wrapper. If you want to overwrite it you can specify these values directly after your binaries. If you have _JAVA_OPTIONS set globally this will take precedence. For example run opsin with “opsin -Xms512m -Xmx1g –help”

docker

A Docker container is available at https://quay.io/repository/biocontainers/opsin.