Re: [PyMOL] how to get an atom coordinates information
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] <cschu...@its.jnj.com>
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:mailmd2...@gmail.com]
> Sent: Thursday, February 25, 2016 12:48 PM
> To: pymol-users@lists.sourceforge.net
> 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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Re: [PyMOL] how to get an atom coordinates information
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:mailmd2...@gmail.com] Sent: Thursday, February 25, 2016 12:48 PM To: pymol-users@lists.sourceforge.net 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 -- Site24x7 APM Insight: Get Deep Visibility into Application Performance APM + Mobile APM + RUM: Monitor 3 App instances at just $35/Month Monitor end-to-end web transactions and take corrective actions now Troubleshoot faster and improve end-user experience. Signup Now! http://pubads.g.doubleclick.net/gampad/clk?id=272487151=/4140 ___ PyMOL-users mailing list (PyMOL-users@lists.sourceforge.net) Info Page: https://lists.sourceforge.net/lists/listinfo/pymol-users Archives: http://www.mail-archive.com/pymol-users@lists.sourceforge.net -- Site24x7 APM Insight: Get Deep Visibility into Application Performance APM + Mobile APM + RUM: Monitor 3 App instances at just $35/Month Monitor end-to-end web transactions and take corrective actions now Troubleshoot faster and improve end-user experience. Signup Now! http://pubads.g.doubleclick.net/gampad/clk?id=272487151=/4140 ___ PyMOL-users mailing list (PyMOL-users@lists.sourceforge.net) Info Page: https://lists.sourceforge.net/lists/listinfo/pymol-users Archives: http://www.mail-archive.com/pymol-users@lists.sourceforge.net
[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 -- Site24x7 APM Insight: Get Deep Visibility into Application Performance APM + Mobile APM + RUM: Monitor 3 App instances at just $35/Month Monitor end-to-end web transactions and take corrective actions now Troubleshoot faster and improve end-user experience. Signup Now! http://pubads.g.doubleclick.net/gampad/clk?id=272487151=/4140 ___ PyMOL-users mailing list (PyMOL-users@lists.sourceforge.net) Info Page: https://lists.sourceforge.net/lists/listinfo/pymol-users Archives: http://www.mail-archive.com/pymol-users@lists.sourceforge.net
