- ShelXle
Orphan date March 2012 Infobox software name ShelXle logo File Shelxle.png center 64px screenshot File ShelXle screen1.jpg center 280px caption the ShelXle main window with a structure of C60F18 developer Christian B. H bschle released 2011 latest release version 1.0.519 latest release date release date 2012 01 20 programming language C operating system Microsoft Windows Windows , Linux , OS X genre Molecular modelling license GNU Lesser General Public License website http ewald.ac.chemie.uni goettingen.de shelx index.php The program ShelXle ref cite journal last H bschle first Christian B. coauthors Sheldrick, George M., Dittrich, Birger title ShelXle a Qt graphical user interface for SHELXL journal Journal of Applied Crystallography date 12 November 2011 volume 44 issue 6 pages 1281 1284 doi 10.1107 S0021889811043202 url http scripts.iucr.org cgi bin paper?S0021889811043202 accessdate 25 January 2012 ref is a graphical user interface for the structure refinement program SHELXL. ref name hist cite journal last Sheldrick first George M. title A short history of SHELX journal Acta Crystallographica Section A Foundations of Crystallography date 21 December 2007 volume 64 issue 1 pages 112 122 doi 10.1107 S0108767307043930 url http scripts.iucr.org cgi bin paper?S0108767307043930 accessdate 25 January 2012 ref ShelXle combines an editor with syntax highlighting for the SHELXL associated .ins input and .res output files with an interactive graphical display for visualization of a three dimensional structure including the electron density Fo and difference density Fo Fc maps. Overview ShelXle can display electron density maps like the macro molecular program Coot program but is more intended for smaller molecules. A number of excellent graphical user interfaces GUIs exist for small molecule crystall structure refinement with SHELX e.g. WINGX ref cite journal last Farrugia first Louis J. title WinGX suite for small molecule single crystal crystallography journal Journal o ... more details
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