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15.6 Finding Contact Residues

  Suppose you want to view the atoms in ``A'' which are in contact with ``B''. Use the within <distance> of <selection> selection command. For purposes of demonstration, let A be protein, B be nucleic, and define contact as an atom in A which is within 2 Å of an atom in B. Then the selection command is

        protein within 2 of nucleic

If you want to see all the residues of A which have at least one atom in contact with B, use

        same residue as (protein within 2 of nucleic)



Sergei Izrailev
Fri Jul 25 17:07:27 CDT 1997