3.3. 使用RESI(OLEX2使用手冊(cè))
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.
譯文如下:
3.3. 使用RESI
3.3.1. RESI是一個(gè)強(qiáng)大的ShelXL工具,通過它可以同時(shí)處理屬于同一RESI類的原子群
RESI是一個(gè)強(qiáng)大的ShelXL工具,通過它可以同時(shí)處理屬于同一RESI類的原子群。這一概念已廣泛應(yīng)用于大分子的精修很長(zhǎng)一段時(shí)間,它對(duì)于小分子結(jié)構(gòu)精修同樣非常有用,特別是那些同一配體多次出現(xiàn)的結(jié)構(gòu)。
在本文中,我們將使用示例結(jié)構(gòu)Co110。這是一個(gè)很好的簡(jiǎn)單結(jié)構(gòu),這將有助于保持事情的簡(jiǎn)單性。這里是否真正指出了RESI的使用有待商榷,但這些概念都可以在更大的結(jié)構(gòu)中通用。
相關(guān)輔助視頻如下:
Olex2視頻教程——以Co110為例講解如何使用RESI指令
https://www.bilibili.com/video/BV1rb411j72X
Olex2基操-RESI指令的使用
https://www.bilibili.com/video/BV1x54y1W7o5
公眾號(hào)文章鏈接:
https://mp.weixin.qq.com/s?__biz=MzU0NjkzMTM1MQ==&mid=2247485309&idx=6&sn=98a0b3eec58f5ae809393b5c4617e557&chksm=fb575085cc20d9934748e2ffacefb90df4cedc25488ce878b3656113a47ee0daee47acd2e7d9&token=1550724737&lang=zh_CN#rd
