mcs07/opsin-ws repository overview

⁠OPSIN-ws Docker Image

This is a Docker image for the OPSIN-ws⁠ web service by Daniel Lowe.

OPSIN⁠ (Open Parser for Systematic IUPAC nomenclature) is a tool for interpreting systematic chemical names and converting them to various structure formats.

⁠Usage

docker run --rm -p 8080:8080 mcs07/opsin-ws

The web interface will be available at http://localhost:8080⁠.

Use a file extension to get a specific format. For example:

• http://localhost:8080/opsin/cyclohexane.png⁠
• http://localhost:8080/opsin/cyclohexane.smi⁠
• http://localhost:8080/opsin/cyclohexane.json⁠

Alternatively you can use content negotiation by supplying a MIME type via the Accept HTTP header. Full instructions at https://opsin.ch.cam.ac.uk/instructions.html⁠.