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Iris: interactive all-in-one graphical validation of 3D protein model iterations.
Protein Science ( IF 8 ) Pub Date : 2020-09-23 , DOI: 10.1002/pro.3955
William Rochira 1 , Jon Agirre 1
Affiliation  

Iris validation is a Python package created to represent comprehensive per‐residue validation metrics for entire protein chains in a compact, readable and interactive view. These metrics can either be calculated by Iris, or by a third‐party program such as MolProbity. We show that those parts of a protein model requiring attention may generate ripples across the metrics on the diagram, immediately catching the modeler's attention. Iris can run as a standalone tool, or be plugged into existing structural biology software to display per‐chain model quality at a glance, with a particular emphasis on evaluating incremental changes resulting from the iterative nature of model building and refinement. Finally, the integration of Iris into the CCP4i2 graphical user interface is provided as a showcase of its pluggable design.

中文翻译:

Iris:3D蛋白质模型迭代的交互式多合一图形验证。

虹膜验证是一个Python软件包,创建后可以以紧凑,可读和交互的方式表示整个蛋白质链的全面残基验证指标。这些指标可以通过Iris或第三方程序(例如MolProbity)来计算。我们表明,蛋白质模型中需要注意的那些部分可能会在图表上的各个指标之间产生波动,立即引起建模者的注意。Iris可以作为独立工具运行,也可以插入现有的结构生物学软件中以一目了然地显示每个链模型的质量,并且特别强调评估由模型构建和完善的迭代性质导致的增量更改。最后,将虹膜集成到CCP4i2中 图形用户界面是其可插入设计的展示。
更新日期:2020-09-23
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