Computational chemistry

Modelling, simulation and analysis of biomolecular systems

Requirements

Before diving into this topic, we recommend you to have a look at:

Galaxy instances

You can use a public Galaxy instance which has been tested for the availability of the used tools. They are listed along with the tutorials above.

You can also use the following Docker image for these tutorials:

docker run -d -p 8080:80 scientificomputing/bridge

It will launch a flavored Galaxy instance available on http://localhost:8080.

Maintainers

This material is maintained by:

Christopher BarnettsterChristopher Barnettster, Tharindu SenapathiTharindu Senapathi, Simon BraySimon Bray, Björn GrüningBjörn Grüning

For any question related to this topic and the content, you can contact them or visit our Gitter channel.

Contributors

This material was contributed to by:

Christopher BarnettsterChristopher Barnettster, Tharindu SenapathiTharindu Senapathi, Simon BraySimon Bray

References