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首页> 外文期刊>Acta crystallographica. Section D, Structural biology. >Automated map sharpening by maximization of detail and connectivity
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Automated map sharpening by maximization of detail and connectivity

机译:最大化自动化地图锐化的细节和连通性

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An algorithm for automatic map sharpening is presented that is based on optimization of the detail and connectivity of the sharpened map. The detail in the map is reflected in the surface area of an iso‐contour surface that contains a fixed fraction of the volume of the map, where a map with high level of detail has a high surface area. The connectivity of the sharpened map is reflected in the number of connected regions defined by the same iso‐contour surfaces, where a map with high connectivity has a small number of connected regions. By combining these two measures in a metric termed the `adjusted surface area', map quality can be evaluated in an automated fashion. This metric was used to choose optimal map‐sharpening parameters without reference to a model or other interpretations of the map. Map sharpening by optimization of the adjusted surface area can be carried out for a map as a whole or it can be carried out locally, yielding a locally sharpened map. To evaluate the performance of various approaches, a simple metric based on map–model correlation that can reproduce visual choices of optimally sharpened maps was used. The map–model correlation is calculated using a model with B factors (atomic displacement factors; ADPs) set to zero. This model‐based metric was used to evaluate map sharpening and to evaluate map‐sharpening approaches, and it was found that optimization of the adjusted surface area can be an effective tool for map sharpening.
机译:自动地图锐化的算法提出了基于优化的细节和连通性的尖锐的地图。详细的地图反映在表面上区域包含一个iso轮廓表面固定的地图的体积分数,一个地图与高水平的具有很高的表面细节区域。反映在连接区域的数量定义的相同的iso检测轮廓表面,与高连通性有少量的地图连接区域。措施指标称为“调整后的表面区”,地图可以评估的质量自动化的时尚。最佳地理地图没有磨参数参考模型或其他的解释地图。表面可以进行调整地图作为一个整体,也可以在本地进行,产生局部磨地图。各种方法的性能,一个简单的基于map-model相关性可以度量复制的视觉选择最佳磨使用地图。计算模型与B因子(原子位移的因素;基于模型检测指标用于评价地图锐化和评价地图的锐化方法,发现优化的面积可以有效的调整地图削尖的工具。

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