[AMBER] Center atoms (translate & rotate reference)

From: abdennour braka <abdennour.braka.univ-orleans.fr>
Date: Wed, 18 Jan 2017 17:40:07 +0100

Hi all,
I would like to center all coordinates of my system with a new Cartesian
system of reference coordinates (translate & rotate my reference)
defined by 4 atoms of my system (Oy, Ox, Oz) In such a way that the new
coordinates of my atom O will be (0,0,0) and get the rest of the
coordinates in this reference.
Is there a possibility to do this with cpptraj.
kind regards,

Abdennour BRAKA
/PhD Student
Structural Bioinformatics & Chemoinformatics
Institut de Chimie Organique et Analytique (ICOA)
UMR CNRS-Université d'Orléans 7311
Université d'Orléans
Rue de Chartres
F-45067 Orléans
phone: +33 238 494 577/
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Received on Wed Jan 18 2017 - 09:00:04 PST
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