Note: This is the older version of the program PeldorFit. The latest version of the program can be found at: https://github.com/dinarabdullin/PeldorFit2022
The program PeldorFit is developed for analysis of orientation-selective Pulsed ELectron-electron Double Resonance (PELDOR or DEER) data.
PeldorFit2019 is the third version of the program PeldorFit. The changes made to the second version are:
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The program is extended to three-spin systems.
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The structure of a configuration file is reconsidered to make it more general.
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New Python scripts for visualization of the PeldorFit results are provided.
Further description of the program can be found in the manual and in the paper (see below).
The source code of the program is written in C++. The program uses two external open-access libraries, Intel TBB (https://www.threadingbuildingblocks.org/) and libconfig (http://www.hyperrealm.com/libconfig/).
The program was compiled for Linux and Windows and the corresponding executables are stored at https://github.com/dinarabdullin/PeldorFit2019/releases.
This program can be distributed under GNU General Public License.
If you use this code please cite: D. Abdullin, G. Hagelueken, R. I. Hunter, G. M. Smith, O. Schiemann, Geometric model-based fitting algorithm for orientation-selective PELDOR data, Mol. Phys. 2015, 113, 544-560.