[PyMOL] How to determine distance of matching atoms in aligned nonidentical structures?

2015-01-18 Thread Schubert, Carsten [JRDUS]
Hi, How can I best determine the distance between matching pairs of atoms in two or more aligned structures? Fairly easy to do when the two aligned structures are the same, but how does one go about when the structures are not the same? The problem is that I cannot figure out how to dependably

Re: [PyMOL] Unable to select correct ligand

2015-01-18 Thread Osvaldo Martin
Dear Gabriel, You should try something like this sele ligand, not polymer and resn leu notice that "ligand" is just a variable name it has no special meaning if you do sele asdf, not polymer and resn leu You will get the same result. The selection is defined by the portion after the coma.

[PyMOL] Unable to select correct ligand

2015-01-18 Thread Gabriel Hoppen [bs12gh]
Dear Pymol users, I have loaded in the protein LeuT, a leucine transporter, but am unable to select and show the substrate leucine. When using the command sele ligand, resn LEU , all the leucines of the protein are highlighted instead of the main leucine substrate molecule. ?I am entirely stump