On 22/04/11 05:44, Matthew Bick wrote:
What I would like to know is 1) How do I tell Coot this is a real bond so it is properly displayed,
It is a real bond - it is dashed because it is a LINK - LINKs descriptions not used in refinement.
and 2) How can I create a dictionary with the proper restraints so that I may use Coot's real space refine function.
Non-trivial. You will need to provide a cif link description. JLigand is the CCP4 way to do this:
http://www.ysbl.york.ac.uk/mxstat/JLigand/index.html There is a tutorial. The Coot <--> JLigand interface will be improved in 0.7. Paul.
