SIMulation to EXPeriment is software that allows the direct comparison of simulation density information with that obtained from X-ray and neutron scattering experiments, by converting the simulation data to form factors. It also calculates volume probability distributions according to a space filling volumetric model. Written in C++ and Qt, SIMtoEXP has a very simple and easy to use GUI with interactive plotting. The software was originally developed by Norbert Kucerka.

The code has been tested on OpenSUSE and Ubuntu (both binary and compilation); Windows and Mac are not officially supported, see the 'Notes' in the tar.

PLEASE READ THE WIKI FOR THE MOST UP-TO-DATE INFORMATION - there have been major bug fixes recently.

Project Samples

Comparing simulation form factors (black line) to X-ray form factors for a DOPC bilayer

Project Activity

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Categories

Molecular Science, Simulation, Physics

License

GNU General Public License version 3.0 (GPLv3)

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SIMtoEXP Web Site

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Additional Project Details

Operating Systems

Linux, Mac, Windows

Intended Audience

Science/Research

User Interface

Qt

Programming Language

C++

Related Categories

C++ Molecular Science Software, C++ Simulation Software, C++ Physics Software

Registered

2012-11-14
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