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] <[email protected]>
wrote:
> 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: Albert [mailto:[email protected]]
> Sent: Thursday, February 25, 2016 12:48 PM
> To: [email protected]
> Subject: [PyMOL] how to get an atom coordinates information
>
> Hello:
>
> I would like to know the XYZ information of a specific atom. I am just
> wondering how can we do this? Is there any command line?
>
> thank you very much
>
> Albert
--
Thomas Holder
PyMOL Principal Developer
Schrödinger, Inc.
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