Pannu Navraj S, Waterreus Willem Jan, Skubák Pavol, Sikharulidze Irakli, Abrahams Jan Pieter, de Graaff Rudolf A G
Biophysical Structural Chemistry, Leiden University, Leiden, The Netherlands.
Acta Crystallogr D Biol Crystallogr. 2011 Apr;67(Pt 4):331-7. doi: 10.1107/S0907444910052224. Epub 2011 Mar 18.
For its first release in 2004, CRANK was shown to effectively detect and phase anomalous scatterers from single-wavelength anomalous diffraction data. Since then, CRANK has been significantly improved and many more structures can be built automatically with single- or multiple-wavelength anomalous diffraction or single isomorphous replacement with anomalous scattering data. Here, the new algorithms that have been developed that have led to these substantial improvements are discussed and CRANK's performance on over 100 real data sets is shown. The latest version of CRANK is freely available for download at http://www.bfsc.leidenuniv.nl/software/crank/ and from CCP4 (http://www.ccp4.ac.uk/).
2004年首次发布时，CRANK被证明能有效地从单波长反常衍射数据中检测并确定反常散射体的相位。从那时起，CRANK得到了显著改进，利用单波长或多波长反常衍射数据或带有反常散射数据的单同晶置换，可以自动构建更多结构。本文讨论了促成这些重大改进的新开发算法，并展示了CRANK在100多个真实数据集上的性能。CRANK的最新版本可从http://www.bfsc.leidenuniv.nl/software/crank/ 以及CCP4（http://www.ccp4.ac.uk/）免费下载。
