Or even better, we could implement B-factor refinement in coot!

(Working on it...)

Paul Emsley wrote:
I would use something like this:

(set-default-temperature-factor-for-new-atoms 50)

I see that this is not well documented.  Will fix.

Thanks,

Paul.

junfeng liu wrote:
Yes. the default B factor of new AA is 20. I usually manual change it from that to the avearge B. Otherwise I have to copy fragment from other homology structures. It will be much better for us to set the B factor as we expected instead of 20 in coot.
ta
leo
Daniel Schlieper wrote:
Hello,

just to make Coot even more luxurious: Would it be possible if added terminal amino acids inherited the B-value of the amino acid they get attached to?

I am building a loop at about 50 A^2, and would like to start the following refinement with my best guess as far as the B-values are concerned. Currently, that means revisiting all newly built amino acids and change their B-values.

Best regards, Daniel




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