Re: [AMBER] deletion of hydrogen atoms of pdb file

From: David A Case <case.biomaps.rutgers.edu>
Date: Tue, 21 Feb 2012 08:27:13 -0500

On Tue, Feb 21, 2012, Atila Petrosian wrote:
>
> Is there any command in amber to delete all hydrogen atoms of pdb file?

Try this:

awk '$1=="ATOM" && substr($3,1,1)!="H"' input.pdb > output.pdb

(Assumes all hydrogen atom names begin with "H".) Modify as needed.

...good luck...dac


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Received on Tue Feb 21 2012 - 05:30:04 PST