Eric,
How about the MEASURE command?
measure range 0 4.0 {:B and !water} {!:B and !water}
show measurements
Or, if you want to work with them, then use
Var x = getProperty("measurementInfo")
and work with that array.
Bob
On Sun, May 8, 2011 at 11:49 PM, Eric Martz <[email protected]>wrote:
> I can select all non-water atoms within 4 Angstroms of each other,
> between e.g. chain B and other chains:
>
> select within(4.0, chain=b) and not (chain=b, water)
> define ~4a_to_chainb selected
> select within(4.0, ~4a_to_chainb) and chain=b and not water
> select selected or ~4a_to_chainb
>
> Now I can list those atoms or residues with the "show selected" or
> "show residues" command.
>
> But how can I list pairs of atoms contacting each other? Of course
> one atom in chain B may contact several atoms in other chains, so if
> listed as pairs, a particular atom in chain B may be listed several
> times, each with a different partner.
>
> Thanks, -Eric
>
>
>
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