On 12/10/11 12:53, 王瑞 wrote: > 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. > >
You can use Coot to generate a new molecule for your residue selection (or ligand) and then use the functions: (average-temperature-factor imol) (median-temperature-factor imol) (standard-deviation-temperature-factor imol) You can also use bfactan, which makes an xml file with temperature factor statistics, IIRC. Paul.
