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Recent improvements in DSR
Author(s) -
Kratzert Daniel,
Krossing Ingo
Publication year - 2018
Publication title -
journal of applied crystallography
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.429
H-Index - 162
ISSN - 1600-5767
DOI - 10.1107/s1600576718004508
Subject(s) - graphical user interface , computer science , minor (academic) , computer graphics (images) , human–computer interaction , programming language , law , political science
The DSR computer program has received many minor and major updates over the past two years. This publication describes some new features, such as disorder modelling on special positions, error detection for restraints and trifluoromethyl group modelling. Most importantly, the graphical user interfaces (GUIs) make DSR a lot easier to use, especially in modelling disorder on special positions that would have been difficult to implement without a GUI. In addition, generating and editing of new fragments in the database is now much easier.