Re: [AMBER] puckering coordinates

From: Pratul Agarwal <pratul.agarwal-lab.org>
Date: Tue, 19 Feb 2019 13:52:31 +0000

Hi Myriam,

Has anyone replied to your query? I didn't see any response.

Have you tried using cpptraj? The command will be:
>pucker p1 :1.C1 :1.C2 :1.C3 :1.C4 :1.O4 range360 out pucker.dat

See the manual for further details.

Pratul

Pratul K. Agarwal, Ph.D.
(Editorial Board Member: PLoS ONE, Microbial Cell Factories)
Web: http://www.agarwal-lab.org/


On 2/18/2019 12:54 PM, MYRIAN TORRES RICO wrote:

Hi all,

I have a complex protein-saccharide and I want to calculate the
puckering coordinates (q,f) in the six ring. How is the scrypt?

thanx in advantage

Myriam


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Received on Tue Feb 19 2019 - 06:00:03 PST
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