Sorry, this somehow dropped off my radar (maybe because I accidentally
left it as read).
On 15/07/2022 12:34, Gundala Viswanath wrote:
Hi,
Notice that it has high outliers content. I want to manually drag those
red dots into some part of the region. Eventually, I expect it to be
reflected
in the coordinates so that I can save it as a new PDB file.
I thought about adding such a tool. In retrospect I think it's better
for Coot to refine everything at once and let it choose the target
phi,psi values.
You can turn on the Ramachandran plot refinement
R/RC -> Ramachandran Restraints [tick]
You can alter the the weight with
More Control... -> Rama restraints weight
High Ramachandran plot weights cause stability issues in the minimizer
(sad to say).
Then you can click on each of the dots and use tandem refine to examine
and improve the Ramachandran plot( for those few residues).
Coot 1 allows you to dynamically see the effects on the weight changes
on the Ramachandran plot.
Paul.
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