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首页> 外文期刊>Acta crystallographica. Section D, Structural biology >Towards the automatic crystal structure solution of nucleic acids: automated model building using the new CAB program
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Towards the automatic crystal structure solution of nucleic acids: automated model building using the new CAB program

机译：对自动晶体结构的解决方案核酸的自动化建模使用新的出租车计划

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摘要

CAB, a recently described automated model-building (AMB) program, has been modified to work effectively with nucleic acids. To this end, several new algorithms have been introduced and the libraries have been updated. To reduce the input average phase error, ligand heavy atoms are now located before starting the CAB interpretation of the electron-density maps. Furthermore, alternative approaches are used depending on whether the ligands belong to the target or to the model chain used in the molecular-replacement step. Robust criteria are then applied to decide whether the AMB model is acceptable or whether it must be modified to fit prior information on the target structure. In the latter case, the model chains are rearranged to fit prior information on the target chains. Here, the performance of the new AMB program CAB applied to various nucleic acid structures is discussed. Other well documented programs such as Nautilus, ARP/wARP and phenix.autobuild were also applied and the experimental results are described.
机译：出租车,最近描述了自动化的模型(AMB)计划,修改工作有效地与核酸。介绍了一些新的算法库已更新。输入平均相位误差,配体重原子现在位于驾驶室开始前解释电子密度的地图。此外,使用替代方法取决于配体属于目标或模型链中使用molecular-replacement一步。然后决定是否应用AMB模型可接受的还是必须修改来适应之前的信息在目标结构。后一种情况下,模型链重排符合之前的目标链上的信息。新的AMB计划出租车的性能应用于各种核酸结构进行了讨论。鹦鹉螺,ARP /扭曲和凤凰。应用和实验结果描述。

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