On Sat, 30 Dec 2006, Kenward Vaughan wrote:
I'm putting together a demo for my students this next semester, and was hoping to be able to do a zone selection about the ligand. Is this possible with the command line? I haven't been able to pull out a reference for such, yet.
Certainly I could pull together the list of residues myself, but thought it'd be nice to have the command available. Some students might like to create a demo file for their reports, and this would become a pivotal tool for a subset of those.
If not directly available, then a wishlist addition, perhaps? Something like:
zonesel [within|beyond] [+/- angstroms] [atom-spec]
where the sign of the angstrom value denotes whether to include (+) or exclude (-) the atoms in atom-spec.
Take a look at the Atom Specification documentation in the subsection on Zones. So: display ligand z<5 Will display all of the residues that are less than 5 angstroms from the ligand. - Greg