Re: [AMBER] changing chirality with ParmEd?

From: Lachele Foley <lf.list.gmail.com>
Date: Tue, 21 Feb 2017 16:26:32 -0500

You mean change L to D?

If so, then you can edit the coordinates: pick one coordinate (say, x)
and multiply all the values by -1. That will give you a mirror image.
Do this in a pdb file or a restart file, etc. Of course, that will
disrupt its relationship to other residues, so you might need to do
other stuff.


On Mon, Feb 20, 2017 at 2:42 PM, Hai Nguyen <nhai.qn.gmail.com> wrote:
> AFAIN, there's not.
>
> Hai
>
> On Mon, Feb 20, 2017 at 10:14 AM, Thomas Pochapsky <pochapsk.brandeis.edu>
> wrote:
>
>> Is there a straighforward way to change the chirality of specific amino
>> acid residues using parmed?
>>
>> Thanks,
>> Tom Pochapsky
>>
>>
>>
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-- 
:-) Lachele
Lachele Foley
CCRC/UGA
Athens, GA USA
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Received on Tue Feb 21 2017 - 13:30:03 PST
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