From: Troels E. L. <tl...@gm...> - 2013-02-11 14:39:58
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Hi Michael. Something similar has been made to show the "SITES" labels of a pdb file, for quick referencing of a crystal structure. http://pymolwiki.org/index.php/Select_sites You could look into how that is written, and provide something similar for an NMR structure? Best Troels Troels Emtekær Linnet Ved kløvermarken 9, 1.th 2300 København S Mobil: +45 60210234 2013/2/8 Zimmermann, Michael T., Ph.D. <Zim...@ma...> > Dear PyMOL Users,**** > > ** ** > > I’ve been using fetch and fetchlocal (from the wiki) for working with > multiple datasets of structures, but have a nagging issue that I have not > found an efficient way to solve. I typically download the first biological > unit, which works for X-ray structures. The trouble is (for good reason), > NMR structures don’t have a .pdb1 file. Does anyone have a script to do, or > have a good idea about how to implement, the following? (It’s really my > lack of familiarity with catching the value from functions like > cmd.get_names (rather than it just being printed) in python that’s my > barrier…)**** > > ** ** > > Attempt to fetch 2yrq.pdb1**** > > If fetch fails, try fetching 2yrq.pdb**** > > If successful and we have >1 state, save the first state**** > > ** ** > > Thanks!**** > > ** ** > > *Michael T. Zimmermann* > > Ph. D. in Bioinformatics | Health Sciences Research | Division of > Biomedical Statistics and Informatics**** > > *Mayo Clinic* | 200 First Street SW | Rochester, MN 55905 | mayoclinic.org<http://www.mayoclinic.org> > **** > > ** ** > > > ------------------------------------------------------------------------------ > Free Next-Gen Firewall Hardware Offer > Buy your Sophos next-gen firewall before the end March 2013 > and get the hardware for free! Learn more. > http://p.sf.net/sfu/sophos-d2d-feb > _______________________________________________ > PyMOL-users mailing list (PyM...@li...) > Info Page: https://lists.sourceforge.net/lists/listinfo/pymol-users > Archives: http://www.mail-archive.com/pym...@li... > |