On Friday, June 08, 2012 11:35:25 am Faisal Tarique wrote: > Dear all > > i have downloaded lithium coordinates for the density i guess is for > lithium but i think while refinement in refmac is not taking lithium into > the consideration.
If you see density, it might not be lithium :-) > i want to know how to obtain cif file for lithium and > incorporate it into the refmac for refinement.. LI is in the standard monomer dictionary. You don't have to do anything special. But given that it has no scattering power to speak of, you may have to add explicit restraints to hold it in place during refinement. LI appears in 41 PDB entries. You might want to inspect the density in some of them to get a feel for how it looks. -- Ethan A Merritt Biomolecular Structure Center, K-428 Health Sciences Bldg University of Washington, Seattle 98195-7742
