Dear all, let me rephrase my question in a less confusing way. For a given mutant, I need a PDB file for every available rotamer. I guess thats the simplest way of putting it. How can I achieve that?
Thanks for hints. Martin Am 12.09.10 00:08, schrieb Martin Hediger: > Hi all > I want to do some scripted mutations on a range of residues. Say I want > to mutate residue 189 to every rotamer of [Asp, His, Glu, Thr, Lys] > available in the PyMOL internal rotamer library. I'm seeing that PyMOL > issues cmd.get_wizard().do_state(i) to select rotamer 'i' for a > mutation. Now, if I want to iterate over all available rotamers, I need > the limit rotamer number. How can I obtain the maximum number of > rotamers available for every amino acid? > > Thanks for hints on this > > Martin > > ------------------------------------------------------------------------------ > Start uncovering the many advantages of virtual appliances > and start using them to simplify application deployment and > accelerate your shift to cloud computing > http://p.sf.net/sfu/novell-sfdev2dev > _______________________________________________ > 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 > ------------------------------------------------------------------------------ Start uncovering the many advantages of virtual appliances and start using them to simplify application deployment and accelerate your shift to cloud computing http://p.sf.net/sfu/novell-sfdev2dev _______________________________________________ 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
