ABS:: a program to determine absolute configuration and evaluate anomalous scatterer substructure

被引：66

作者：

Hao, Q ^{[1
]}

机构：

[1] Cornell Univ, Cornell High Energy Synchrotron Source, Macromol Diffract Facil, Ithaca, NY 14853 USA

来源：

JOURNAL OF APPLIED CRYSTALLOGRAPHY | 2004年 / 37卷

关键词：

D O I：

10.1107/S0021889804008696

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

In single- or multi-wavelength anomalous dispersion (SAD/MAD) phasing, one of the essential steps is to find the absolute configuration ( hand) of the anomalous scatterers. A computer program, ABS, based on an algorithm proposed by Woolfson & Yao [ Acta Cryst. ( 1994), D50, 7 - 10] has been written to determine the absolute configuration by using anomalous scattering data. It also calculates a real-space figure of merit (FOM) that can be used to assess the quality of the solution for anomalous scatterer sites. The ABS program has been successfully applied in several ab initio phasing cases, including some previously unknown protein structures. The program is included in the CCP4 suite.

引用

页码：498 / 499

页数：2

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