Browsing University of Galway Support Services by Subject "pair distribution function"
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oscail, a program package for small-molecule single-crystal crystallography with crystal morphology prediction and molecular modelling
(International Union of Crystallography (IUCr), 2017-02-01)Oscail is a program for small-molecule crystallography which includes crystal morphology prediction and an interface to molecular modelling. The Oscail graphical user interface can drive SHELX and Superflip for structure ...