Macs in Chemistry

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CHARMM INterface and Graphics


You might want to have a look at a new website that I’ve just been sent details of.

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

  • 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
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