older [mailto:thomas.hol...@schrodinger.com]
Sent: Thursday, February 25, 2016 1:58 PM
To: Albert; Schubert, Carsten [JRDUS]
Cc: pymol-users@lists.sourceforge.net
Subject: Re: [PyMOL] how to get an atom coordinates information
Hi Carsten & Albert,
There actually is a function for getting the coordin
Hi Carsten & Albert,
There actually is a function for getting the coordinates of a single atom.
Example:
PyMOL>print cmd.get_atom_coords('first (elem O)')
Cheers,
Thomas
On 25 Feb 2016, at 09:54, Schubert, Carsten [JRDUS]
wrote:
> Albert,
>
> there is no command line tool for that purpos
Albert,
there is no command line tool for that purpose per se, however you can use the
iterate command for that purpose.
http://pymolwiki.org/index.php/Iterate#Example:_Get_coordinates
There are other ways to do this but this will get you going more quickly.
-Original Message-
From: A
