Thanks for the response Pratul. I wanted to learn a bit on how to do it
myself, so I cant write some analyses codes that may not be available in
cpptraj (or pytraj).
On Tue, Dec 11, 2018 at 5:48 PM Pratul Agarwal <pratul.agarwal-lab.org>
wrote:
> You can use cpptraj (installed in $AMBERHOME/bin during installation) for
> extracting frames and performing a wide range of analysis. The ability to
> read NetCDF trajectories is inbuilt into cpptraj.
>
> If you prefer python based program or functionality, pytraj is also
> available with similar functionalities. See documentation in AMBER manual
> (or a web search for pytraj will take you its documentation/home page).
>
> Pratul K. Agarwal, Ph.D.
> (Editorial Board Member: PLoS ONE, Microbial Cell Factories)
> Web: http://www.agarwal-lab.org/
>
>
>
>
> On 12/11/2018 2:16 AM, Debostuti Ghoshdastidar wrote:
>
> Dear Amber Users
>
> I was looking for some heads up on where I can start learning a bit about
> how to use python to work on Amber-generated NetCDF trajectory (extract
> data and analyse data from NetCDF trajectories).
>
> Any suggestions would be greatly appreciated.
>
> Thank you
>
>
>
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> http://lists.ambermd.org/mailman/listinfo/amber
>
--
Debostuti Ghosh Dastidar
DST SERB National Post-Doctoral Fellow
Molecular Biophysics Unit
Indian Institute of Science, Bangalore
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Received on Tue Dec 11 2018 - 04:30:02 PST
