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Neutron and X-ray Reflectometry from Computer Simulation

Project description

falass is a pure python program designed to obtain neutron or x-ray reflectometry data from a molecular simulation output.

This code will read in a PDB structure, allow the input of scattering lengths for each of the atom types, build the system into a series of layers and calculate the reflectometry based on the Abeles optical matrix formalism.

Further it is then possible to compare the calculated reflectometry with that from a experimental data file.

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falass-0.0.1.tar.gz (25.5 kB view hashes)

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