Summary The Interface Contact definition with Adaptable Atom Types (INTERCAAT) was developed to determine the atomic interactions between molecules that form a known three dimensional structure. First, INTERCAAT creates a Voronoi tessellation where each atom acts as a seed. Interactions are defined by atoms that share a hyperplane and whose distance is less than the sum of each atoms’ Van der Waals radii plus the diameter of a solvent molecule. Interacting atoms are then classified and interactions are filtered based on compatibility. INTERCAAT implements an adaptive atom classification method; therefore, it can explore interfaces between a variety macromolecules. Availability and implementation Source code is freely available at: https://gitlab.com/fiserlab.org/intercaat. Supplementary information Supplementary data are available at Bioinformatics online.

中文翻译：

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INTERCAAT：识别大分子之间的界面残基

总结 开发了具有适应性原子类型 (INTERCAAT) 的界面接触定义，以确定形成已知三维结构的分子之间的原子相互作用。首先，INTERCAAT 创建一个 Voronoi 镶嵌，其中每个原子都充当种子。相互作用由共享超平面且距离小于每个原子的范德华半径加上溶剂分子直径之和的原子定义。然后对相互作用的原子进行分类，并根据相容性过滤相互作用。INTERCAAT 实现自适应原子分类方法；因此，它可以探索各种大分子之间的界面。可用性和实施​​源代码可在以下网址免费获得：https://gitlab.com/fiserlab.org/intercaat。