You could potentially use the 'ncdump' utility to extract the raw
coordinates from the trajectory (i.e. ncdump -v coordinates <traj>)
and post-process that output with something like awk.
-Dan
On Fri, Jun 16, 2017 at 11:19 AM, Shafaq Muzammal
<Shafaq.Muzammal.nottingham.ac.uk> wrote:
>
> Hi,
>
>
> Thanks, but i have to rewrite it into .xyz format and use it as input to some other software.
>
>
> Kind Reagards,
>
>
> Shafaq
>
> ________________________________
> From: Elvis Martis <elvis.martis.bcp.edu.in>
> Sent: Wednesday, June 14, 2017 10:39:34 AM
> To: AMBER Mailing List
> Subject: [Spam?] Re: [AMBER] convert .nc trajectories to .xyz
>
> Hi,
>
> I am not very but you can try VMD to export frames loaded as .nc to .xyz.
>
>
> Best Regards
>
> [photo]
>
>
>
> Elvis Martis
> Ph.D. Student (Computational Chemistry)
> at Bombay College of Pharmacy
>
>
> A Kalina, Santacruz [E], Mumbai 400098, INDIA
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> ________________________________
> From: Shafaq Muzammal <Shafaq.Muzammal.nottingham.ac.uk>
> Sent: 14 June 2017 13:59:15
> To: AMBER Mailing List
> Subject: [AMBER] convert .nc trajectories to .xyz
>
> Dear All,
>
>
> Does anybody know of a software or tool to convert the netcdf trajectories from AMBER to .xyz trajectory format?
>
>
>
> Kind Regards,
>
>
> Shafaq
>
>
>
>
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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 Mon Jun 19 2017 - 11:30:02 PDT
