We have been doing a bit of this using a simple program under Linux - pdbskim. A linux binary available on request. Very simple output though, focused on infromation on occ, Bs alternatives, etc to help make decisions during structure refinement.
Jan On Sat, Feb 25, 2012 at 11:59 PM, WENHE ZHONG <wenhezhong.xmu....@gmail.com>wrote: > Dear members, > > Just have a silly question past my mind: is there any program in CCP4 can > be used to analyze coordinate file (.pdb format) to have a very > general/overall discription about the structure? --such as the total number > of protein residues/water/ligand, the total atoms of protein/water/ligand, > the average b-factor of protein/water/ligand, the number of residues which > have alternative side chians, and so on. > > Thank you. > > King regards, > Wenhe > -- Jan Dohnalek, Ph.D Institute of Macromolecular Chemistry Academy of Sciences of the Czech Republic Heyrovskeho nam. 2 16206 Praha 6 Czech Republic Tel: +420 296 809 340 Fax: +420 296 809 410
