On Wed, 15 Apr 2015 11:35:51 +0500
muhammad tahir ayub <tahirgp0.gmail.com> wrote:
> reduce -trim pdbnameH > pdbname
>
> *awk '$1=="ATOM" && substr($3,1,1)!="H"' input.pdb > output.pdb*
While it is generally a bad idea to use awk on a fixed-column format
like PDB it is unclear to me why either command would not strip all
hydrogens. Ok, the awk command would obviously fail if you have
"HETATM" records. What hydrogens to you still see in the output file?
Cheers,
Hannes.
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Received on Wed Apr 15 2015 - 04:00:02 PDT
