recipe opsin/1.4.0

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

Homepage

https://bitbucket.org/dan2097/opsin/

License

Artistic License 2.0

Recipe

/opsin/1.4.0/meta.yaml

package opsin

(downloads) docker_opsin

Versions

2.4.0-1, 2.4.0-0, 2.1.0-3, 2.1.0-2, 2.1.0-1, 2.1.0-0, 1.4.0-3, 1.4.0-2, 1.4.0-1, 1.4.0-0

Depends openjdk

>=6

Requirements

Installation

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

conda install opsin

and update with:

conda update opsin

or use the docker container:

docker pull quay.io/biocontainers/opsin:<tag>

(see opsin/tags for valid values for <tag>)

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”