Re: [AMBER] Regarding the use of sed command to replace water

From: David A Case <>
Date: Wed, 31 Aug 2016 16:38:16 -0400

On Wed, Aug 31, 2016, Adrian Roitberg wrote:

> It is not clear to me WHY you want to do what you want to do, but
> anyways, you need to do
> sed 's/HOH /TIP3P/g' filename
> Note space after HOH. That way you will replace a 4 character string
> with a 4 character string and the rest should stay the same.

Idea is OK, but actual character count is suspect :-)

Note that the PDB format only allows three characters for the residue name
(columns 18-20).


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Received on Wed Aug 31 2016 - 14:00:02 PDT
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