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 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:
A CHARMM tutorial that has been specifically designed for novice CHARMM users
PDB/CRD reader and input script generator
Integrated molecular graphics
Integrated simulation tools (i.e. minimization, solvation, dynamics)
Automatic topology generation
If you are new, you may use the site with a demonstration account: the user is "demo" and password is "drdoom." If you would like your own account, you may register using the above link.
CHARMMing has been tested with Firefox (version 3 or later) and Google Chrome. If you experience problems with the site, please try one of these browsers. If you still encounter problems, please report them (the e-mail address is given below).
Ligand docking functionality.
SAR and QSAR model building tools.
ProPKA support for determining titration states.
Replaced JMol with GLMol or JSMol for visualization (yay, no more browser plug-ins!).
CHARMMing is currently in beta testing. Please report bugs to firstname.lastname@example.org.