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.
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