Hi,
You can potentially do this with the 'rms' command, as long as your
reference and target contain at least 3 atoms. The 'center',
'translate', and 'rotate' commands may also be of interest.
-Dan
On Wed, Jan 18, 2017 at 11:40 AM, abdennour braka
<abdennour.braka.univ-orleans.fr> wrote:
> 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,
>
> A.BRAKA
> --
> 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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--
-------------------------
Daniel R. Roe
Laboratory of Computational Biology
National Institutes of Health, NHLBI
5635 Fishers Ln, Rm T900
Rockville MD, 20852
https://www.lobos.nih.gov/lcb
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Received on Thu Jan 19 2017 - 07:30:03 PST
