The Disordered Structure Refinement[1][2] program (DSR), written by Daniel Kratzert, is designed to simplify the modeling of molecular disorder in crystal structures using SHELXL[3][4][5] by George M. Sheldrick. It has a database of approximately 120 standard solvent molecules and molecular moieties. These can be inserted into the crystal structure with little effort, while at the same time chemically meaningful binding and angular restraints[6] are set. DSR was developed because the previous description of disorder in crystal structures with SHELXL was very lengthy and error-prone. Instead of editing large text files manually and defining restraints manually, this process is automated with DSR.
^Kratzert, Daniel; Krossing, Ingo (3 May 2018). "Recent improvements in DSR". Journal of Applied Crystallography. 51 (3): 928–934. doi:10.1107/S1600576718004508. ISSN 1600-5767. Retrieved 17 August 2018.
^Daniel Kratzert; Julian J. Holstein; Ingo Krossing (2015-06-01), "DSR: enhanced modelling and refinement of disordered structures with SHELXL", Journal of Applied Crystallography (in German), vol. 48, no. 3, pp. 933–938, doi:10.1107/s1600576715005580, ISSN 1600-5767, PMC 4453980, PMID 26089767, retrieved 2017-02-07
^"The SHELX homepage" (in German). Retrieved 2017-02-07.
^George M. Sheldrick (2008-01-01), "A short history of SHELX", Acta Crystallographica Section A: Foundations of Crystallography (in German), vol. 64, no. 1, pp. 112–122, Bibcode:2008AcCrA..64..112S, doi:10.1107/s0108767307043930, ISSN 0108-7673, PMID 18156677
^George M. Sheldrick (2015-01-01), "Crystal structure refinement with SHELXL", Acta Crystallographica Section C: Structural Chemistry (in German), vol. 71, no. 1, pp. 3–8, doi:10.1107/s2053229614024218, ISSN 2053-2296, PMC 4294323, PMID 25567568
^Gerard J. Kleywegt (2007-01-01), "Crystallographic refinement of ligand complexes", Acta Crystallographica Section D: Biological Crystallography (in German), vol. 63, no. 1, pp. 94–100, doi:10.1107/s0907444906022657, ISSN 0907-4449, PMC 2483469, PMID 17164531
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