An alternative: vi my_pdb.pdb (carriage return) :%s/HETATM/ATOM /g (carriage return) :wq! (carriage return, or ZZ i.e. shift zz)
This does the trick. Simple operations like this can be done easily with an editor. I don't know Windows editors (because I don't use Windows). F. > Dear all > > Is there any tool in CCP4 that can change all HETATM records in PDB file > to ATOM? I need the metals to be defined as ATOM for calculation of its > normal mode with elNémo. > > Thank you. > > -- F.M.D. Vellieux (B.Sc., Ph.D., hdr) IBS / ELMA 41 rue Jules Horowitz 38027 Grenoble Cedex 01 France Tel: +33 438789605 Fax: +33 438785494
