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 ------------------------------------------------------------------------------ WhatsUp Gold - Download Free Network Management Software The most intuitive, comprehensive, and cost-effective network management toolset available today. Delivers lowest initial acquisition cost and overall TCO of any competing solution. http://p.sf.net/sfu/whatsupgold-sd _______________________________________________ Jmol-users mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-users
