Carnegie Mellon

The Hendrich Metalloprotein Group

moleculeSpincount

SpinCount is a Windows software package that allows quantitative interpretation of EPR spectra, especially for molecules containing transition metals. SpinCount treats spectral intensities on a rigorously quantitative basis, allowing determination of species concentrations. More generally, SpinCount will display and manipulate any number and type of spectra in the form of XY data. All manipulations of spectra within SpinCount retain the quantitative aspects of the data. Some of the more important simulation features are:

• Calculation of simulated spectra for any paramagnetic mono- or di-nuclear metal cluster.
• The calculations consider: odd/even electron systems, spin exchange, dipolar interactions, zero-field parameters, multiple nuclear hyperfine, incident microwave orientations, microwave frequencies, sample temperatures.
• Automated fitting of multiple spectra.
• Single-Valued Decomposition of multiple species

SpinCount can be downloaded from the link given below. To recover some of the cost associated with creation of the program, there is a charge per laboratory group to enable generation of simulations in SpinCount. To enable simulations, please email hendrich@andrew.cmu.edu.

SpinCount Installation

To use Spincount you must have Microsoft.Net Framework version 4 installed. To check the version on your computer type %windir%\Microsoft.NET\Framework\v into your Windows Start search box. A list of folders should appear with version numbers. If you do not see a v4 folder then use Microsoft Windows Update to first install the latest version. After you have verified the Framework version, follow these steps:

1. Create a new folder (for example C:\SpinCount\).
2. For the folder you have created, check the properties of the folder to make sure you have full security permission (read/write/modify/etc.).
3. Download the file SpinCount.exe$
4. Move SpinCount.exe$ to your SpinCount folder and change extension to SpinCount.exe
5. Run SpinCount, SpinCount will automatically update and ask for restart (click yes), the program is ready.


Once SpinCount is running, help is available through the help menu.