OLEX2: a complete structure solution, refinement and analysis program

Abstract

New software, OLEX2 , has been developed for the determination, visualization and analysis of molecular crystal structures. The software has a portable mouse-driven workflow-oriented and fully comprehensive graphical user interface for structure solution, refinement and report generation, as well as novel tools for structure analysis. OLEX2 seamlessly links all aspects of the structure solution, refinement and publication process and presents them in a single workflow-driven package, with the ultimate goal of producing an application which will be useful to both chemists and crystallographers.

Keywords

WorkflowComputer scienceVisualizationSoftwareComputational scienceGraphical user interfaceInterface (matter)Process (computing)Programming languageSoftware engineeringData miningDatabaseOperating system

Affiliated Institutions

Durham University GB

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Publication Info

Year: 2009
Type: article
Volume: 42
Issue: 2
Pages: 339-341
Citations: 29418
Access: Closed

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APA Style

                            
                                
                                    Oleg V. Dolomanov, 
                                
                                    Luc J. Bourhis, 
                                
                                    Richard J. Gildea
                                
                                et al.
                            
                            (2009). 
                            <i>OLEX2</i>: a complete structure solution, refinement and analysis program. 
                            Journal of Applied Crystallography
                            , 42
                            (2)
                            , 339-341.
                            https://doi.org/10.1107/s0021889808042726
                        

Identifiers

DOI: 10.1107/s0021889808042726

<i>OLEX2</i>: a complete structure solution, refinement and analysis program