Who to contact?

Sire is written by volunteers in their spare time and provided for free. If you have problems, please get in touch, but remember that while we will do our best, we are unable to provide full support. Sire is supported via a user’s mailing list and via developer discussions on GitHub. Please consider joining one of these venues and asking any questions there. This will allow the developers to give answers that can benefit the entire user and developer community. If you prefer to get in touch with the authors directly, then please use the links given on the authors page.

Tutorials / Workshops

Sire has been used as the basis for a number of workshops. These are listed below.


Many of the Sire executables are self-documented via --help, e.g. to get documentation on the waterswap executable, please run sire.app/bin/waterswap --help. They also come with complete descriptions, provided via links on the APPS page, or via --description, e.g. sire.app/bin/waterswap --description. As Sire continues to be developed and released, we will expand the documentation and will provide example pages.

For C++ developers, the C++ source code is fully commented, and this has been extracted using Doxygen to form a complete set of API documentation.

For Python developers, the Python modules are fully commented, with the comments from the C++ objects translated into Python. This means that you can get help using the standard Python help, i.e.

import Sire.Mol