Journal of applied crystallography

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0021-889848Pt 32015Jun01Journal of applied crystallographyJ Appl CrystallogrDSR: enhanced modelling and refinement of disordered structures with SHELXL.933938933-938One of the remaining challenges in single-crystal structure refinement is the proper description of disorder in crystal structures. This paper describes a computer program that performs semi-automatic modelling of disordered moieties in SHELXL [Sheldrick (2015 ▶). Acta Cryst. C71, 3-8.]. The new program contains a database that includes molecular fragments and their corresponding stereochemical restraints, and a placement procedure to place these fragments on the desired position in the unit cell. The program is also suitable for speeding up model building of well ordered crystal structures.KratzertDanielDInstitute for Inorganic and Analytical Chemistry, Albert-Ludwigs-Universität Freiburg, Albertstrasse 21, Freiburg 79104, Germany.HolsteinJulian JJJGZG, Abteilung Kristallographie, Georg-August-Universität Göttingen, Goldschmidtstrasse 1, Göttingen 37077, Germany ; Global Phasing Ltd, Sheraton House, Castle Park, Cambridge CB3 0AX, England.KrossingIngoIInstitute for Inorganic and Analytical Chemistry, Albert-Ludwigs-Universität Freiburg, Albertstrasse 21, Freiburg 79104, Germany.engJournal Article20150425

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