Re: [PyMOL] Defining and Selecting molecules

2010-03-22 Thread Jason Vertrees
>> The system I am studying has an amide of interest (oleamide) in oil (At >> the moment just dodecane molecules). >> I have seen in the manual how to select individual elements, but is it >> possible to select either the Nitrogen or oxygen in my oleamide >> molecules, and then select all atoms whi

Re: [PyMOL] Defining and Selecting molecules

2010-03-22 Thread David Hall
Assuming there are separate residues for each molecule, do they have a residue name defined? So you can do something like "select r. OLE"? -David On Mon, Mar 22, 2010 at 7:56 AM, Michael Doig wrote: > I am wondering how to select molecules in Pymol. > > The system I am studying has an amide of

Re: [PyMOL] Defining and Selecting molecules

2010-03-22 Thread Tsjerk Wassenaar
Hi Michael, Have you had a look at 'help selections'? > I am wondering how to select molecules in Pymol. What exactly do you mean here? The molecule for a certain atom? The molecule as in 'chain' (if it's a macromolecule), or as in 'residue' (if it's a ligand/cofactor/solvent)? > The system I a

[PyMOL] Defining and Selecting molecules

2010-03-22 Thread Michael Doig
I am wondering how to select molecules in Pymol. The system I am studying has an amide of interest (oleamide) in oil (At the moment just dodecane molecules). I have seen in the manual how to select individual elements, but is it possible to select either the Nitrogen or oxygen in my oleamide mo