YLID Tutorial

This tutorial focuses on the solving of an organic structure, for which only low-resolution single crystal data is available. Data courtesy of A. van der Lee (CNRS, Univ Montpellier, France). (the data was recorded on purpose at low resolution).

Prerequisites

All these are available in the directory "Fox/examples/tutorial-ylid".

Create the crystal structure

Single crystal data

Global optimization

Export Structure

Finally, you can compare the structure with the one in the crystallography open database (COD).

None: Tutorials/YLID (last edited 2011-09-13 11:02:24 by VincentFavreNicolin)