Re: [Jmol-users] Show only protein atoms close to the ligand

2007-12-07 Thread Bob Hanson
You're almost there. There are a few ways of doing this, but here's the simplest. # Task 0: load files "protein.mol2" "ligand.mol" # Task 1: select within(6.0, true, {model=2.1}) and {model!=2.1} (This "TRUE" parameter is new -- it indicates that you want to do cross-model checking.) #Task 2:

Re: [Jmol-users] Show only protein atoms close to the ligand

2007-12-07 Thread Rolf Huehne
Noel O'Boyle wrote: > I am just starting to use Jmol and I would really appreciate some help... > > I have a protein file, and I have a ligand file. Task 1 is to select > only those protein atoms within 6Ang of the ligand. Task 2 is to > display only these selected atoms. Task 3 is to draw the iso

[Jmol-users] Show only protein atoms close to the ligand

2007-12-07 Thread Noel O'Boyle
I am just starting to use Jmol and I would really appreciate some help... I have a protein file, and I have a ligand file. Task 1 is to select only those protein atoms within 6Ang of the ligand. Task 2 is to display only these selected atoms. Task 3 is to draw the isosurface of the selected atoms.