On 17/04/2018 18:03, Jonathan Davies wrote:
I've recently solved a structure to 1.15 Angstrom which has extremely clear density for what appears to be a lysine covalently bound to a cysteine (S-N). The distance between the cys-S and lys-N is 1.8 A.
How would one go about modeling this bond in a way that doesn't upset coot, refmac or PDB validation?
If you have an up-to-date CCP4 and Coot, I'd suggest Extensions -> Modules -> CCP4 -> CCP4 -> Make Link via Acedrg [click, click] This will make a dictionary that Coot and Refmac can use. I can't say about PDB validation. Paul.
