Hi, as Tim pointed out Rsym, I/sigma, Redundancy could not be obtained from a pdb, but you find it in the ouptut of SCALA, XSCALE, or similar scaling programs. I use Moleman2 from the Uppsala Software Factory to get the B values out of my pdb. F.e. "Bf St Type" provide B-Factors for every component in the file.
Christian Am Mittwoch 12 Oktober 2011 13:53:56 schrieb 王瑞: > Dear Everybody, > > I am sorry for a little off-topic. Could anyone tell me how to > determine a protein, peptide and ligand of a new pdb's b factor? I know > there are rampage and sfcheck to validate in ccp4, but I only found a > overall b factor in their result. By the way, are there a software to > determine a new pdb's all parameters such as Rsym, I/σ, Redundancy, > Solvent molecules' b factors? > > Thanks >
