The GitHub pages for cpptraj and pytraj has some documentation for developers that may be relevant. If not, could you say a little more about what you are trying to do?
Pratul K. Agarwal, Ph.D.
(Editorial Board Member: PLoS ONE, Microbial Cell Factories)
Web: http://www.agarwal-lab.org/
On 12/11/2018 7:22 AM, Debostuti Ghoshdastidar wrote:
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><mailto: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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Received on Tue Dec 11 2018 - 05:00:01 PST
