Re: [AMBER] Deletion of H atoms from pdb file used for MD simulations

From: Ashutosh Shandilya <izerokelvin.gmail.com>
Date: Wed, 15 Apr 2015 14:49:03 +0530

you can use

* sed -i '/^.............H/d'* filename

to delete all the hydrogen from a pdb file.



On 15 April 2015 at 12:05, muhammad tahir ayub <tahirgp0.gmail.com> wrote:

> Dear All
> While editing the pdb we need to delete the hydrogens, I have
> used the following commands but all the hydrogens were not deleted
>
> reduce -trim pdbnameH > pdbname
>
>
>
> *awk '$1=="ATOM" && substr($3,1,1)!="H"' input.pdb > output.pdb*
>
>
> *what can i do for the deletion of all Hydrogen atoms from the pdb
> filekindly help me in this regard*
>
>
> *Thanks in advance*
> *Muhammad Tahir*
> *Ayub*
>
> *Junior Research Fellow*
>
> *H.E.J Research Institute of Chemistry*
>
> *International Centre for chemical and Biological Sciences*
>
> *University of Karachi, Pakistan*
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Received on Wed Apr 15 2015 - 02:30:03 PDT
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