On 10/03/11 14:19, James Hall wrote: > Dear CCP4BB > > I have been refining a structure in Refmac and I would like to report an > average B value for the solvent, ligand and DNA chain seperatly. > However, I cant this information in the Refmac log or .pdb file. Is > there a program/option I can use to calculate the B factors for parts of > the model?
There’s BAVERAGE in CCP4—in CCP4i it’s under the “Structure Analysis” tab. It should work as long as your different components are separate chains in the PDB file. -- Ian Clifton Phone: +44 1865 275677 Chemistry Research Laboratory Fax: +44 1865 285002 Oxford University ian.clif...@chem.ox.ac.uk Mansfield Road Oxford OX1 3TA UK
