WinGX and ORTEP for Windows: an update
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Cites methods from "WinGX and ORTEP for Windows: an upd..."
...The CRYSTALS (Betteridge et al., 2003), JANA (Petricek & Dusek, 2000) and WinGX (Farrugia, 2012) refinement packages follow similar archival schemes....
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630 citations
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References
81,116 citations
"WinGX and ORTEP for Windows: an upd..." refers background or methods in this paper
...…the RBLS least-squares refinement program from the GX suite, but with the release of the refinement program SHELXL93, and subsequently SHELXL97 (Sheldrick, 2008), which had a much more sophisticated implementation of constraints and restraints, it was decided to use the latter as the…...
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...The advent of general crystallographic codes such as XRAY72 (Stewart et al., 1972), the Oak Ridge program suite ORTEP (Johnson, 1965), ORFFE and ORFLS (Busing et al., 1962, 1964), and SHELX76 (Sheldrick, 2008) provided most of the necessary computational operations in a single program or suite of programs....
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...The philosophy of WinGX is to provide as many approaches as possible and it is considered worthwhile to continue supporting fairly old structuresolution programs, such as SHELXS86 (Sheldrick, 2008) and SIR92 (Altomare et al., 1993)....
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...The default refinement program for WinGX is currently SHELXL97 (Sheldrick, 2008)....
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...There are several ways to initiate a structural analysis in WinGX, including semi-automatic input from diffractometer data files (Nonius KappaCCD, Bruker SMART or SAINT, or Rigaku files) or from SHELX files (Sheldrick, 2008)....
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19,468 citations
"WinGX and ORTEP for Windows: an upd..." refers background in this paper
...It now seems appropriate to describe some of the more modern features of these programs, which were not discussed in the original short computer program abstracts (Farrugia, 1997, 1999)....
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18,151 citations
"WinGX and ORTEP for Windows: an upd..." refers background or methods in this paper
...The GX code was first ported to the MS-DOS environment and then to the Windows environment, becoming the WinGX program (Farrugia, 1999)....
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...It was at this stage that WinGX was first publicly released on the internet in 1997 (Farrugia, 1999)....
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...It now seems appropriate to describe some of the more modern features of these programs, which were not discussed in the original short computer program abstracts (Farrugia, 1997, 1999)....
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8,807 citations
"WinGX and ORTEP for Windows: an upd..." refers background in this paper
...Similarly, if WinGX detects that the programs have been installed, it will also provide GUI menu items for SIR97 (Altomare et al., 1999), SIR2002 (Burla et al., 2003), SIR2004 (Burla et al., 2005), SIR2008 (Burla et al., 2007) and recently for SIR2011 (Burla et al., 2012)....
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