Hi, Something like this may do the trick:
sed 's/HETATM/ATOM /' current.pdb > new.pdb Cheers Rob On 20 Aug 2012, at 16:14, Theresa Hsu wrote: > 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.
