3.3. 使用RESI(OLEX2使用手册)
原文如下:
Using RESI
RESI is a powerful ShelXL tool, by which groupings of atoms belonging to the same RESIdue class can be addressed all at once.
RESI is a powerful ShelXL tool, by which groupings of atoms belonging to the same RESIdue class can be addressed all at once. This concept has been used extensively in macromolecular refinement for a long time, and it can be very useful for small-molecule structures as well - particular those where the same ligand occurs many times in the structure.
In this article, we will be using the sample structure Co110. It is a nice simple structure, which will help keeping things simple. Whether the use of RESI is actually indicated here is questionable, but the concepts can all be transferred to much bigger structures.
译文如下:
3.3. 使用RESI
3.3.1. RESI是一个强大的ShelXL工具,通过它可以同时处理属于同一RESI类的原子群
RESI是一个强大的ShelXL工具,通过它可以同时处理属于同一RESI类的原子群。这一概念已广泛应用于大分子的精修很长一段时间,它对于小分子结构精修同样非常有用,特别是那些同一配体多次出现的结构。
在本文中,我们将使用示例结构Co110。这是一个很好的简单结构,这将有助于保持事情的简单性。这里是否真正指出了RESI的使用有待商榷,但这些概念都可以在更大的结构中通用。
相关辅助视频如下:
Olex2视频教程——以Co110为例讲解如何使用RESI指令
https://www.bilibili.com/video/BV1rb411j72X
Olex2基操-RESI指令的使用
https://www.bilibili.com/video/BV1x54y1W7o5
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