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首页> 外文期刊>Acta crystallographica.Section D. Biological crystallography >Averaged kick maps: Less noise, more signal and probably less bias
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Averaged kick maps: Less noise, more signal and probably less bias

机译：平均踢地图:更少的噪音,更多的信号可能少的偏见

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摘要

Use of reliable density maps is crucial for rapid and successful crystal structure determination. Here, the averaged kick (AK) map approach is investigated, its application is generalized and it is compared with other map-calculation methods. AK maps are the sum of a series of kick maps, where each kick map is calculated from atomic coordinates modified by random shifts. As such, they are a numerical analogue of maximum-likelihood maps. AK maps can be unweighted or maximum-likelihood (A) weighted. Analysis shows that they are comparable and correspond better to the final model than A and simulated-annealing maps. The AK maps were challenged by a difficult structure-validation case, in which they were able to clarify the problematic region in the density without the need for model rebuilding. The conclusion is that AK maps can be useful throughout the entire progress of crystal structure determination, offering the possibility of improved map interpretation.
机译：使用可靠的密度地图快速是至关重要的晶体结构和成功的决心。在这里,平均踢(AK)映射方法调查,应用推广这是与其他map-calculation相比方法。地图,每个地图计算原子坐标修改随机变化。这样,它们的数值模拟最大似然的地图。未加权的或最大似然(A)加权。分析表明,它们可比最终的模型比和对应好模拟退火的地图。挑战困难的结构验证情况下,他们能够明确有问题的地区密度没有模型重建的必要性。正义与发展党在整个地图可以有用晶体结构测定的进展,提供改进的地图的可能性解释。

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