Graphical User Interface for spin label modeling.

slmodgui runs a set of shell scripts from a library (provided) which can perform in silico mutation of a protein residue to a spin label, Monte Carlo minimization, Molecular Dynamics simulations, and more specialized tasks using CHARMM. The user must have python 2.x and wxpython installed, and provide their own charmm binary file.

Download here.

The shell scripts, charmm stream files, and spin label forcefields were originally developed by Ken Sale, later modified by Peter Fajer, Mikolai Fajer, and myself. The graphical user interface is entirely developed by me, in consultance with Peter Fajer.

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