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. ------------------------------------------------------------------------------ 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&iu=/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