Re: [AMBER] how to center on ligand?

From: Jason Swails <jason.swails.gmail.com>
Date: Wed, 29 Jul 2015 12:05:50 -0400

On Wed, Jul 29, 2015 at 11:50 AM, Albert <mailmd2011.gmail.com> wrote:

> Thank you for the kind comments.
>
> I've got a further question: is it possible for us to know how X,Y,Z was
> translated after I move the ligand to [0,0,0]?
>

Sure. Look at the two coordinate files and take the difference between the
positions of the first atom in each file.

HTH,
​Jason

-- 
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Wed Jul 29 2015 - 09:30:02 PDT
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