Re: [AMBER] Flip chirality

From: FyD <>
Date: Tue, 21 Dec 2010 14:46:12 +0100


Inverting the chirality of an asymmetric carbon is available in XLEaP
BUT ALSO in tLEaP (thus this can be used in a script based approach)


# select the center to be flipped
select DA.1.C3'
# invert the chirality of the C3' center
flip DA

You might also try replacing x by -x.

regards, Francois

> I want to flip chirality of my alternating residues in the polymer
> chain.Though xleap unit editor has that option , repeating this manually is
> a bit tedious.
> When I used impose in leap (it does not flip chirality) , my structure
> remains the same and there is no error on use.
> Is there any way of getting it done in AMBER.
> I appreciate your suggestions.
> Thanks
> John

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Received on Tue Dec 21 2010 - 06:00:02 PST
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