Don't let Disorder get you Down

Don't let Disorder get you Down. DSR can Help!

This webinar took place on May 03rd 2017

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Overview

In this 40-minute webinar Daniel Kratzert will discuss one of the remaining challenges in single-crystal structure refinement and provide solutions for the proper description of disorder in crystal structures. DSR (Disordered Structure Refinement) performs semi-automatic modeling of disordered moieties using SHELXL. It contains a database with about 130 molecular fragments and their corresponding stereochemical restraints and fitting procedure to place these fragments on the desired position in the unit cell. In just a few mouse clicks, user-defined fragments are easily added to the database.

The program is also suitable for speeding up model building of well-ordered crystal structures. Using real-world examples, Bruce Noll will demonstrate the ease of point-and-click modeling with DSR within the graphical user interface of APEX3. Model building made easy.

Speakers

Dr. Michael Ruf
Product Manager X-ray Crystallography US and Canada Bruker AXS Inc. Madison, WI USA
Bruce C. Noll, PhD
Senior Applications Scientist X-ray Crystallography Bruker AXS Inc. Madison, WI USA
Dr. Daniel Kratzert
Institut für Anorganische und Analytische Chemie Albert-Ludwigs-Universität Freiburg, Germany