Another HBond question
|Opened on:||Friday, November 13, 2015 - 23:56|
|Last modified:||Saturday, November 14, 2015 - 00:04|
Could you describe more about how rosetta handles hbonds, how they are scored, and how the Hnet is scored? Specifically, I was looking at # of bond and directionality of bonds.
Here is a picture of 10 hbonds to the same sidechain: http://fold.it/portal/files/chatimg/irc_269484_1445571359.png
In the blog post, it says acceptors count as fully satisfied if they have at least 1 hbond.
So, specific questions, but please also elaborate if I didn't hit the right question:
1) Are acceptors purely electrostatic (no lone pair directionality)
2) Is there a big score jump if an hbond matches a donor directionality condition? An acceptor? Two bonus for both, or no bonus unless both?
3) is the preferred direction for donors along and opposite the X-H bond, X = N,O?
4) Is this partial covalent bond the difference between a red network hbond and a blue network hbond? What is the difference?
5) how did I get 10 hbonds anyway?