Re: Python based tool for analysis of DCD trajectories

From: Haohao Fu (fhh2626_at_gmail.com)
Date: Fri Mar 09 2018 - 00:52:15 CST

you can use MDtraj(http://mdtraj.org/1.9.0/), MDanalysis(
https://www.mdanalysis.org/) or prody(http://prody.csb.pitt.edu/) to do
such things.

Haohao

2018-03-09 13:46 GMT+08:00 Harish Srinivasan <harishlglk1992_at_gmail.com>:

> I am using NAMD to simulate various systems like bilayer, micelles,
> eutectic solvents etc. Most of my analysis is using the trajectories of the
> system (i.e. x,y,z coordinates of the atom). So far I have been using
> catdcd to convert my dcd trajectory files to xyz format and then use it for
> further analysis.
>
> Is there any particular tool (preferably python based) that can in
> principle allow me to get the (x,y,z) coordinates from DCD file based on,
> different selections of residues/segments/atom_number etc?
>
> Thank you
> Harish
>

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