Hi Paul, hi all, I have recently came across a case in which I have to refine a structure with a ligand covalently bound to a Cys of a protein. I managed to input the geometric restrains for the refinement in phenix, and generate a pdb with a LINK line. However, I would like to real space refine the ligand against a map in coot, and I don’t know how to import the restrains for the ligand-Cys covalent bond. I have already generated and imported to Coot the CIF file for the ligand. Do I have to use JLigand?
Thanks a lot in advance, keep up the excellent work, ciao, Sebastiano -- Sebastiano Pasqualato, PhD Crystallography Unit Department of Experimental Oncology European Institute of Oncology IFOM-IEO Campus via Adamello, 16 20139 - Milano Italy tel +39 02 9437 5167 fax +39 02 9437 5990 web http://is.gd/IEOXtalUnit
