Thx Gilleain! Cheers, Alan
> Message: 1 > Date: Wed, 15 Mar 2006 09:37:55 +0000 > From: "gilleain torrance" <gilleain.torra...@gmail.com> > To: Pymol <pymol-users@lists.sourceforge.net> > Subject: [PyMOL] Re: building peptides > > Hi, > > The wiki has a page on this: > > http://www.pymolwiki.org/index.php/Peptide_Sequence > > except it doesn't mention the zwitterion details. There's a link to > Robert Campbell's scripts to do this sort of thing, so maybe the > answer is there. > > As for for loops, this is best in a full python script (run with > "run"). In fact, your pseudocode is almost valid python. More like: > > residues =3D ("A", "C", "D", "E", "F", "G", "H" etc) > > for residue in residues: > for i in range(3): > cmd._alt(residue.lower()) > cmd.set_geometry ?? > > cmd.save(aa.pdb, "all") > > Unfortunately, I'm not sure the set_geometry command is right. > > gilleain torrance > -- Alan Wilter S. da Silva, D.Sc. - Research Associate Department of Biochemistry, University of Cambridge. 80 Tennis Court Road, Cambridge CB2 1GA, UK.
