SLmod GUI

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.

CWdipFit

CWdipFit is a data analysis program for dipolarly broadened CW spectra. The program assumes a sum of Gaussian shaped distance distributions between spins, and utilizes Monte Carlo/SIMPLEX curve fitting to actual data. CWdipFit is written in Matlab and is provided as source code.

Requirements:

-Matlab v7.0.1 or higher with optimization toolbox.

Installation:

-Download latest version below.
-Extract to any folder.
-Run Matlab.
-Navigate to the folder you installed CWdipFit.
-Run CWdipFit.m

Latest version is 1.1 (February 2010)
Download the zip file here.
README file is included in the package.

Citation

Sen KI, Logan TM, and Fajer PG (2007) Biochemistry 46, 11639-11649.

DEFit (Dipolar Evolution Fit)

DEFit ScreenshotDEFit is a Double Electron-Electron Resonance (DEER) data analysis program which assumes models of overlapping Gaussian shaped distance distributions between spins. DEFit utilizes Monte Carlo/SIMPLEX curve fitting to actual data, not to Fourier transform. The program is written in Matlab and is provided as source code.

Requirements:

-Matlab v7.0.1 or higher with optimization toolbox.

Installation:

-Download latest version below
-Extract to any folder
-Run Matlab
-Navigate to the folder where you extracted DEFit
-Run DEFit.m

Latest version is 4.1 (September 2009)
Download the zip file here.
A quick start guide is included in the package.

Citation

Sen KI, Logan TM, and Fajer PG (2007) Biochemistry 46, 11639-11649.