Dear Eleanor, Eleanor Dodson wrote:
1) The check on GLN and ASN and HIS? for likely hydrogen bonding is very useful. Do you think it would be worth extending this to THR?
HIS is not part of the ASN/GLN check. And indeed the ASN/GLN check works by B-factor analysis, not hydrogen bonding. For hydrogen bond checking, I use reduce. (Once can also use What_check, but the support for that is not so good).
I do not think the algorithm in Coot is suitable to extend to THR.
2) The Ramachandran plot includes residues with zero occupancy - it would help if they were flagged somehow differently..
I see. Thank you. This is duly noted (along with your prior request to show the Ramachandran plot of only a selection of residues).
Paul.
