Esben, load molA.pdb select selA, resi 100-200
create molAcpy, molA select selAcpy, selA in molAcpy Note that this will only work if the atom identifiers: name, resi, resn, segi, chain are all unique. The "in" operator does not distinguish based on the "alt" (alternate conformer) property, so all matching conformers for a residue will be selected in the new selection if any were selected in the original. Cheers, Warren -----Original Message----- From: pymol-users-boun...@lists.sourceforge.net [mailto:pymol-users-boun...@lists.sourceforge.net] On Behalf Of Esben Jannik Bjerrum Sent: Thursday, December 14, 2006 6:54 AM To: pymol-users@lists.sourceforge.net Subject: [PyMOL] Copy a selection for a new molecule? Hi All in one of my scripts I have a problem with getting a selection for a new molecule which is created from a copy of another which also have a selection. In the first one a selection is made of the user, but after creating a new molecule from the whole of the old, I cannot use the old selection directly. I could of course specify the selection in the script itself, but for interactive use of user-defined selections I've tried stored.list=[] cmd.iterate(selection+ " & name ca","stored.list.append(resi)") print stored.list cmd.select("newsel","none") for resi in stored.list: print resi cmd.select("newsel", "newsel or ("molecule2" &resi %s)"%resi) Is there a more elegant and or robust way of doing this? I'm especially tired of the iterating through the list for each new molecule. Best Regards Esben ____________________________________________________________________________ ________ Yahoo! Music Unlimited Access over 1 million songs. http://music.yahoo.com/unlimited ------------------------------------------------------------------------- Take Surveys. Earn Cash. Influence the Future of IT Join SourceForge.net's Techsay panel and you'll get the chance to share your opinions on IT & business topics through brief surveys - and earn cash http://www.techsay.com/default.php?page=join.php&p=sourceforge&CID=DEVDEV _______________________________________________ PyMOL-users mailing list PyMOL-users@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/pymol-users
