Re: [AMBER] Reading Amber-generated NetCDF files using python

From: Pratul Agarwal <>
Date: Tue, 11 Dec 2018 12:18:26 +0000

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)

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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Received on Tue Dec 11 2018 - 04:30:02 PST
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