From: Bob H. <ha...@st...> - 2006-02-23 20:29:59
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too, too funny! Jan wrote: > Now I'm convinced that the most straight forward solution is an optional > diameter parameter to the connect command, though in most cases I would > render bonds on a per residue level with the wireframe command and not > on a bond type level with connect. > Regards, Jan > Now *I'm* convinced we need something more general that can select bonds. Actually, "bonds" is not the right word. What I want to be able to select are pairs of atoms that MIGHT be turned into bonds. Or might, for example, be used --- oooh --- for dumping an array -- ooooh --- of interatomic distances --- ooooooh. Now THERE's a thought.... What do you think? selectPairs 1.2 1.4 UNBONDED (carbon) (oxygen) getProperty("getPairInfo","(selectedPairs)") or getProperty("getPairInfo","1.2 1.4 (carbon) (oxygen)") selectPairs 1.2 1.4 BONDED (carbon) (oxygen) connect DOUBLE (selectedPairs) maybe? Bob -- Robert M. Hanson, ha...@st..., 507-646-3107 Professor of Chemistry, St. Olaf College 1520 St. Olaf Ave., Northfield, MN 55057 mailto:ha...@st... http://www.stolaf.edu/people/hansonr "Imagination is more important than knowledge." - Albert Einstein |