This might help, thanks. I'm trying to write a script that will generate a view of a bound ligand in the active site and wanted to automate things as best as I could. I'll test something like
byres (organic and symbol N) and see how far this will get me. Cheers! -----Original Message----- From: Gianluca Santoni [mailto:gianluca.sant...@ibs.fr] Sent: Wednesday, August 20, 2014 1:27 AM To: pymol-users@lists.sourceforge.net Subject: Re: [PyMOL] Special word to select ligand? Not sure if this could help, but if you know which particular kind of atom X characterizes your ligand, I would go with byres (organic and symbol X) On 8/19/14 11:32 PM, Markus Heller wrote: > Hi, > > I'm wondering if the following exists: a special word to select the ligand. > The expression "organic" will select all organic molecules *including* buffer > and other molecules that are artifacts from crystallization. Is there a way > (surely there must be, so I'd better say has somebody done this already? ;-)) > to select the organic molecule with the largest mass or highest number of > heavy atoms? Chances are this would select th eligand. > > Thanks and Cheers > Markus > -- Gianluca Santoni, Dynamop Group Institut de Biologie Structurale 6 rue Jules Horowitz 38027 Grenoble Cedex 1 France _________________________________________________________ Please avoid sending me Word or PowerPoint attachments. See http://www.gnu.org/philosophy/no-word-attachments.html ------------------------------------------------------------------------------ Slashdot TV. Video for Nerds. Stuff that matters. http://tv.slashdot.org/ _______________________________________________ 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 ------------------------------------------------------------------------------ Slashdot TV. Video for Nerds. Stuff that matters. http://tv.slashdot.org/ _______________________________________________ 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
