SIR2004: an improved tool for crystal structure determination and refinement

By M. C. Burla, R. Caliandro, M. Camalli, B. Carrozzini, G. Cascarano, L. Caro, Carmelo Giacovazzo, G. Polidori, R. Spagna. 2005

2,416 citations recorded by the source corpus.

Subfields: Materials Chemistry, Molecular Biology, Physical and Theoretical Chemistry

View Paper: https://www.semanticscholar.org/paper/21df031c48503126b34e2f6b0a377884d5769cb1

How researchers see this paper

The researchers whose trusted networks rank it highest, strongest advocate first. Every researcher gets a different order.

In Materials Chemistry

1. L. Farrugia
2. G. Sheldrick
3. L. Palatinus
4. Vaclav Petricek
5. M. Dušek
6. G. Polidori
7. Carmelo Giacovazzo
8. A. Mazzone

In Molecular Biology

1. G. Sheldrick
2. L. Farrugia
3. L. Palatinus
4. G. Polidori
5. Carmelo Giacovazzo
6. A. Mazzone
7. M. C. Burla
8. R. Caliandro

In Physical and Theoretical Chemistry

1. L. Farrugia
2. G. Sheldrick
3. Vaclav Petricek
4. M. Dušek
5. L. Palatinus

Citations in the corpus

• Crystal structure determination and refinement via SIR2014 (2015, methodology): “In detail the program provides the following: (a) Different ab initio phasing methods are available, denoted as standard direct methods (SDM; see Burla et al., 2005), modern direct methods (MDM; see Burla et al., 2013), VLD (Vive la Différence; see Burla, Caliandro et al., 2010; Burla, Carrozzini…”
• IL MILIONE: a suite of computer programs for crystal structure solution of proteins (2007, methodology): “Ab initio phasing Protein crystal structure solution is attempted in two ways: (a) By direct methods (Burla et al., 2005) followed by direct-space refinement.”
• SIR2011: a new package for crystal structure determination and refinement (2012, methodology): “As in SIR2004, Patterson deconvolution procedures use the superposition minimum function.”
• Symmetry determination following structure solution in P1 (2008, positive): “It appears, however, that it is impossible to solve the structure with the direct method programs SIR2004 (Burla et al., 2005) and SHELXS or SHELXD (Sheldrick, 2008) starting from the space groups compatible with the diffraction symbols, viz.”
• WinGX and ORTEP for Windows: an update (2012, background): “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).”
• Crystallographic Computing System JANA2006: General features (2014, methodology): “The solution programs usually used with JANA2006 are SUPERFLIP [22] and SIRWARE [23, 24], the former being distributed with JANA2006 installation files.”
• A short history of SHELX. (2008, methodology): “All three programs are able to solve much larger structures if heavier atoms (even S or Cl) are present (especially when SHELXD or SIR make use of the Patterson), and for such structures the resolution requirement is much less rigid.”