DiffPy GUI for PDF simulation and structure refinement
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DiffPy Tags

analysis structure diffraction PDF simulation structure analysis protein structures refinement refinement PDF structure

DiffPy Description

DiffPy is a library of Python modules for carrying out structure analysis tasks from diffraction data. The modules are at different stages of development and some are not yet ready for usage by non-experts. Nevertheless, the components listed below should be stable enough and hopefully useful to a broader non-expert community. PDFgui is a program for full-profile fitting of the atomic pair distribution function (PDF) derived from x-ray or neutron diffraction data. This is a graphical front end for the PDFfit2 refinement program, with built in graphical and structure visualization capabilities. it is part of the DiffPy project. Take DiffPy for a test drive to see what it can actually do for you!

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