Thank you Herbert,
Yes, I call tunneling the "conformer swap trick", and I provide a jiffy
script for doing this. Swapping conformer letter assignments is
equivalent to changing the color of the ropes at a certain distance down
their length. When you give this to the refinement program all
Have you considered the impact of tunneling? Your rope crossings are not
perfect barriers.
On Sat, Jan 20, 2024 at 6:09 PM James Holton wrote:
> Update:
>
> I've gotten some feedback asking for clarity on what I mean by "tangled".
> I paste here a visual aid:
>
>
> The protein chains in an
Update:
I've gotten some feedback asking for clarity on what I mean by
"tangled". I paste here a visual aid:
The protein chains in an ensemble model are like these ropes. If these
ropes are the same length as the distance from floor to ceiling, then
straight up-and-down is the global
Greetings Everybody,
I present to you a Challenge.
Structural biology would be far more powerful if we can get our models
out of local minima, and together, I believe we can find a way to escape
them.
tldr: I dare any one of you to build a model that scores better than my
"best.pdb" model
