CHARMMing contains an integrated set of tools for uploading structures, performing simulations, and viewing the results. In order to provide the best possible user experience, it incorporates a number of freely available tools such as JSmol and GLmol for visualization and an automatic residue topology file (RTF) generator (GENRTF) which generates the necessary information for atoms and residues that are currently not supported by the CHARMM force fields. Below is a partial list of functionality that currently is incorporated into CHARMMing.org:

1. A CHARMM tutorial that has been specifically designed for novice CHARMM users
2. PDB/CRD reader and input script generator
3. Integrated molecular graphics
4. Integrated simulation tools (i.e. minimization, solvation, dynamics)
5. Automatic topology generation

Please see INSTALLATION.md for detailed instructions for production set up. We currently support installation with Apache and Nginx.

As a little history, CHARMMing was originally designed to be a simple automatic CHARMM input script generator. From there, it blossomed into a web interface and is now in its third iteration.

TODO: How to contribute to development