On 17/01/12 12:01, Takaaki Fukami wrote: > Dear Coot experts, > > I have a protein with an N-acetyl group at its N-terminal, and > want to refine it with coot & refmac5. > Refmac recognize the LINK and applied restraints in > $CLIB/list/mon_lib_list.cif. > > In Coot, when I "refine zone" from B0 to B1, the ACE group moved away > from the next PHE. They won't connect each other.
Try sphere refine, that has more sophisticated linking rules. > > I extracted the data_link_ACE_C-N section from the mon_lib_list.cif file > and import it into Coot, but it didn't work. > > How do I include the link restraints into Coot? > It should Just Work. If it doesn't then I need to fix it. I've added this to my list. LINKRs for refinement are scheduled for 0.8. Regards, Paul.
