International Tables for Crystallography

By Sydney Hall, B. McMahon. 2005

1,810 citations recorded by the source corpus.

Subfields: Materials Chemistry, Organic Chemistry, Physical and Theoretical Chemistry, Computational Chemistry & Drug Discovery

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

In Organic Chemistry

In Physical and Theoretical Chemistry

In Computational Chemistry & Drug Discovery

Citations in the corpus

Macromolecular structure determination using X-rays, neutrons and electrons: recent developments in Phenix (2019, methodology): “Molecular replacement (MR) is used to solve structures when a structurally similar model (homologue) is available (Hoppe, 1957; Rossmann, 1972; Blow et al., 2012).”
Local Error Estimates Dramatically Improve the Utility of Homology Models for Solving Crystal Structures by Molecular Replacement (2015, methodology): “For these cases, alignments were generated using the structural alignment program LSQMAN (Kleywegt et al., 2001) with a fairly generous cutoff (8 A˚) for generating the alignment from the structural superposition, so that the resulting alignment could be considered as the best possible using an…”
Towards automated crystallographic structure refinement with phenix.refine (2012, methodology): “If insufﬁcient care is taken in deﬁning the NCS groups, the above method may be counterproductive (Kleywegt & Jones, 1995; Kleywegt, 1996, 1999, 2001; Uso´n et al. , 1999).”
Features and development of Coot (2010, neutral): “(ii) Macromolecular crystallographic information ﬁle (mmCIF; Westbrook et al. , 2005) format (extension .cif ).”
Overview of the CCP4 suite and current developments (2011, methodology): “For a long time, the main CCP 4 phase-improvement programs were DM (Cowtan et al. , 2001) and SOLOMON (Abrahams & Leslie, 1996), which covered the standard techniques of solvent ﬂattening/ﬂipping, histogram matching and NCS averaging.”
Phaser crystallographic software (2007, background): “In some rare cases (Fdd2, I41, I4122, I41md, I41cd, I42d, F4132; Koch & Fischer, 1989) the origin of the heavy-atom sites is changed [e.g. the enantiomorphic space group of I41 is I41 with the origin shifted to ( 1 2, 0, 0)].”
The Buccaneer software for automated model building. 1. Tracing protein chains. (2006, methodology): “Automated electron-density interpretation by the identification of atoms with electron-density peaks has a long history in the field of small-molecule direct methods and has also been applied to macromolecules at high resolution (see, for example, Sheldrick et al., 2001).”
Choice of data-collection parameters based on statistic modelling. (2003, background): “The choice is guided by general rules and recommendations (e.g. Arndt & Wonacott, 1977; Dauter, 1999; P¯ugrath, 1999; Evans, 1999).”
The Hiphive Package for the Extraction of High‐Order Force Constants by Machine Learning (2018, methodology): “Using some rough estimate for the second-order FCs, one can obtain a set of normalmodes, which can be subsequently randomly populated with an average energy of kBT/2 to generate a physically sensible displacement pattern[32]”
On the possibility of the observation of valence electron density for individual bonds in proteins in conventional difference maps. (2004, positive): “, 1985; Lamzin & Wilson, 1993; Wilson & Agard, 1993; Urzhumtsev, 1997) realised in the ARP/wARP program (Lamzin & Wilson, 1993; Lamzin et al., 2001).”
A quantitative approach to data-collection strategies. (2006, methodology): “Modern integration methods (Leslie, 2001; Kabsch, 2001; Pflugrath, 1999; Otwinowski & Minor, 2001) are sufficiently powerful to attain data accuracy very close to that defined by the counting statistics and instrumental factors under a broad variety of conditions.”
VESTA: a three-dimensional visualization system for electronic and structural analysis (2008, background): “The entire transformation including both a rotation and an origin shift can be expressed by single 4 × 4 transformation matrix P, which consists of the 3 × 3 rotation matrix P , the 3 × 1 translation vector p, and the row vector o = (0, 0, 0) [50]:”
Maximum-likelihood density modification (2000, neutral): “…Gu et al., 1997; Lunin, 1993; Perrakis et al., 1997; Podjarny et al., 1987; Prince et al., 1988; Refaat et al., 1996; Roberts & Bru È nger, 1995; Rossmann & Arnold, 1993; Shneerson et al., 2001; Szo È ke, 1993; Szo È ke et al., 1997; Terwilliger, 2000; Vellieux et al., 1995; Wilson & Agard,…”