On 15/01/2019 20:49, Markus Heckmann wrote:
I have a structure where CYS is bound to OCA (octanoic acid). I
started with Jligand and created a CYS-OCA covalent link. It then
output a CIF file (verified looks OK). Add the LINK record to PDB
file:
LINK SG CYS A 161 C1 OC
Hi Markus,
Did you load the .cif file into Coot before real space refinement? File ->
Import CIF dictionary …
When you do that, Coot should be able to refine the link and that might then
also help for the refinement in Refmac.
Bernhard
Bernhard C. Lechtenberg, PhD
Postdoctoral Associate
Riedl L
Dear all,
I have a structure where CYS is bound to OCA (octanoic acid). I
started with Jligand and created a CYS-OCA covalent link. It then
output a CIF file (verified looks OK). Add the LINK record to PDB
file:
LINK SG CYS A 161 C1 OCA A 902CYS-OCA
Place
