From: Angel H. <ang...@ua...> - 2013-12-08 11:09:42
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Hi George http://chemapps.stolaf.edu/jmol/docs/?ver=13.2#measure says you must use "all" or "allconnected" to work across models/frames Also, the parenthesis is needed but I'm not sure what the braces will do (it may depend on the file format). I am not usre why you expect the square brackets to work, since that is not a standard syntax in Jmol as far as I know. Safest is to use atomNo. measure all (atomNo=1) (atomNo=2); I cannot advise about how to parse the output from that. There may be some form of getProperty that will give you the set of meaures too. |