I'm sure I am doing something wrong but I have a set of coordinates for a structure containing five Lu3+ ions created by Phenix autosol. When read into COOT (and afterwards upon modification), I can seem to real space refine the last Lu3+ in the list. The first four work fine but the last one returns an error message - "No restraints found! ...."
Here is the extracted Lu3+ positions from the PDB. I'm sure I am missing something but my brain is froze (or more likely withering slowly away with age and occassional blasts of EtOH and x-ray photons). TER HETATM10242 LU L LU B 1 84.960 20.150 49.139 0.99 35.49 Lu3+ HETATM10243 LU L LU B 2 80.752 24.659 51.587 0.99104.78 Lu3+ HETATM10244 LU L LU B 3 61.052 53.144 23.645 0.99184.97 Lu3+ HETATM10245 LU L LU B 4 73.304 6.676 29.987 0.99254.64 Lu3+ HETATM10246 LU L LU B 5 81.973 25.555 53.290 0.99237.32 Lu3+ TER ______________________________________________________________________________________ Joseph P. Noel, Ph.D. Arthur and Julie Woodrow Chair Investigator, Howard Hughes Medical Institute Professor, The Jack H. Skirball Center for Chemical Biology and Proteomics The Salk Institute for Biological Studies 10010 North Torrey Pines Road La Jolla, CA 92037 USA Phone: (858) 453-4100 extension 1442 Cell: (858) 349-4700 Fax: (858) 597-0855 E-mail: n...@salk.edu Publications & Citations: http://scholar.google.com/citations?user=xiL1lscAAAAJ Homepage Salk: http://www.salk.edu/faculty/noel.html Homepage HHMI: http://hhmi.org/research/investigators/noel.html ______________________________________________________________________________________
