17 May
2019
17 May
'19
6:55 a.m.
On 15/05/2019 17:36, Ahmad Khalifa wrote:
In the manual, it says the red dots are clashes, what about the yellow dots and the magenta dashes (vectors)? I would also appreciate if you give an input on how you fix them.
The magenta dashed lines are close [1] contacts that are probably hydrogen bonds and the yellow dashed lines are close contacts that are not hydrogen bonds. Refinement won't necessarily remove yellow contacts from a rough/raw/unrefined model. Paul. [1] "close" is a user-defined parameter.