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
