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Re: [PyMOL] Merge PDB files
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From: DeLano S. <de...@de...> - 2007-01-11 20:35:03
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Josh, The trick is that each otherwise identical structure in a PDB file must have its own segment identifier in order to avoid ambiguity. In recent version of PyMOL, there is a "segi=1" option to symexp which will automatically assign such an identifier to each copy. load $TUT/1hpv.pdb symexp sym, 1hpv, 1hpv, 5.0, segi=1 create merged, all save merged.pdb, merged dele all load merged.pdb Cheers, Warren -- DeLano Scientific LLC Subscriber Support Services mailto:de...@de... "Not yet a PyMOL Subscriber, but want to support the project? Email sa...@de... to quote your lab, school, or employer. Thank you for sponsoring this open-source endeavor!" -WLD -----Original Message----- From: pym...@li... [mailto:pym...@li...] On Behalf Of Joshua Adelman Sent: Thursday, January 11, 2007 12:15 PM To: pym...@li... Subject: [PyMOL] Merge PDB files I was wondering if there was a simple way to merge pdb files generated by Pymol's 'generate symmetry mates' command? I have a dimer in the available pdb file and want to make the full hexamer that is formed via a trimer of dimers. Any suggestions would be most appreciated. Josh ------------------------------------------------------------------------ ------------------------------ Joshua L. Adelman Biophysics Graduate Group Lab: 510.643.2159 218 Wellman Hall Fax: 510.642.7428 University of California, Berkeley http://nature.berkeley.edu/ ~jadelman Berkeley, CA 94720 USA jad...@be... ------------------------------------------------------------------------ ------------------------------ ------------------------------------------------------------------------- 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 PyM...@li... https://lists.sourceforge.net/lists/listinfo/pymol-users |