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hi all, When refining a FeS cluster contain protein structure, I found that the atoms of FeS cluster are alway distorted by refmac restrained refinement. Then I refined the structure by CNS and want to refine alternative conformation of some residues and do TLS refinement in refmac. So, does anyone know how to define fixed atoms (the FeS cluster atoms) in refmac? Any suggestions or comments would be appreciated. ------------------------------ Zhiyi Wei --------------------------------------------- Institute of Biophysics, Chinese Academy of Sciences 15 Datun Road, Chaoyang District Beijing, P.R.China, 100101 Tel:86-(0)10-64888465 Fax:86-(0)10-64888513 --------------------------------------------- School of Life Sciences, University of Science & Technology of China, Hefei, Anhui, P.R.China, 230026
